National Library of Energy BETA

Sample records for defects mechanical behavior

  1. Self-Regulation Mechanism for Charged Point Defects in Hybrid...

    Office of Scientific and Technical Information (OSTI)

    Accepted Manuscript: Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites Title: Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide ...

  2. Defect behavior of polycrystalline solar cell silicon

    SciTech Connect (OSTI)

    Schroder, D.K.; Park, S.H.; Hwang, I.G.; Mohr, J.B.; Hanly, M.P.

    1993-05-01

    The major objective of this study, conducted from October 1988 to September 1991, was to gain an understanding of the behavior of impurities in polycrystalline silicon and the influence of these impurities on solar cell efficiency. The authors studied edge-defined film-fed growth (EFG) and cast poly-Si materials and solar cells. With EFG Si they concentrated on chromium-doped materials and cells to determine the role of Cr on solar cell performance. Cast poly-Si samples were not deliberately contaminated. Samples were characterized by cell efficiency, current-voltage, deep-level transient spectroscopy (DLTS), surface photovoltage (SPV), open-circuit voltage decay, secondary ion mass spectrometry, and Fourier transform infrared spectroscopy measurements. They find that Cr forms Cr-B pairs with boron at room temperature and these pairs dissociate into Cr{sub i}{sup +} and B{sup {minus}} during anneals at 210{degrees}C for 10 min. Following the anneal, Cr-B pairs reform at room temperature with a time constant of 230 h. Chromium forms CrSi{sub 2} precipitates in heavily contaminated regions and they find evidence of CrSi{sub 2} gettering, but a lack of chromium segregation or precipitation to grain boundaries and dislocations. Cr-B pairs have well defined DLTS peaks. However, DLTS spectra of other defects are not well defined, giving broad peaks indicative of defects with a range of energy levels in the band gap. In some high-stress, low-efficiency cast poly-Si they detect SiC precipitates, but not in low-stress, high-efficiency samples. SPV measurements result in nonlinear SPV curves in some materials that are likely due to varying optical absorption coefficients due to locally varying stress in the material.

  3. Self-regulation mechanism for charged point defects in hybrid halide perovskites

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Walsh, Aron; Scanlon, David O.; Chen, Shiyou; Gong, X. G.; Wei, Su -Huai

    2014-12-11

    Hybrid halide perovskites such as methylammonium lead iodide (CH3NH3PbI3) exhibit unusually low free-carrier concentrations despite being processed at low-temperatures from solution. We demonstrate, through quantum mechanical calculations, that an origin of this phenomenon is a prevalence of ionic over electronic disorder in stoichiometric materials. Schottky defect formation provides a mechanism to self-regulate the concentration of charge carriers through ionic compensation of charged point defects. The equilibrium charged vacancy concentration is predicted to exceed 0.4 % at room temperature. Furthermore, this behavior, which goes against established defect conventions for inorganic semiconductors, has implications for photovoltaic performance.

  4. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended...

  5. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mechanical Behavior of Indium Nanostructures Mechanical Behavior of Indium Nanostructures Print Wednesday, 26 May 2010 00:00 Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale

  6. Microstructural evolution and mechanical behavior of metastable...

    Office of Scientific and Technical Information (OSTI)

    and mechanical behavior of metastable -type Ti-30Nb-1Mo-4Sn alloy with low modulus and high strength Title: Microstructural evolution and mechanical behavior of metastable ...

  7. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale mechanical properties and reliability. Researchers from the University of

  8. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale mechanical properties and reliability. Researchers from the University of

  9. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale mechanical properties and reliability. Researchers from the University of

  10. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale mechanical properties and reliability. Researchers from the University of

  11. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale mechanical properties and reliability. Researchers from the University of

  12. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale mechanical properties and reliability. Researchers from the University of

  13. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    stresses, defects, and dislocations. In addition, the small as-deposited indium grains grow into large crystals at ambient conditions. Indium and its compounds have many...

  14. Mechanical properties and tribological behavior of contaminate...

    Office of Scientific and Technical Information (OSTI)

    nanoparticles on micromachined surfaces. Citation Details In-Document Search Title: Mechanical properties and tribological behavior of contaminate nanoparticles on ...

  15. Defect-related internal dissipation in mechanical resonators and the study of coupled mechanical systems.

    SciTech Connect (OSTI)

    Friedmann, Thomas Aquinas; Czaplewski, David A.; Sullivan, John Patrick; Modine, Normand Arthur; Wendt, Joel Robert; Aslam, Dean (Michigan State University, Lansing, MI); Sepulveda-Alancastro, Nelson (University of Puerto Rico, Mayaguez, PR)

    2007-01-01

    Understanding internal dissipation in resonant mechanical systems at the micro- and nanoscale is of great technological and fundamental interest. Resonant mechanical systems are central to many sensor technologies, and microscale resonators form the basis of a variety of scanning probe microscopies. Furthermore, coupled resonant mechanical systems are of great utility for the study of complex dynamics in systems ranging from biology to electronics to photonics. In this work, we report the detailed experimental study of internal dissipation in micro- and nanomechanical oscillators fabricated from amorphous and crystalline diamond materials, atomistic modeling of dissipation in amorphous, defect-free, and defect-containing crystalline silicon, and experimental work on the properties of one-dimensional and two-dimensional coupled mechanical oscillator arrays. We have identified that internal dissipation in most micro- and nanoscale oscillators is limited by defect relaxation processes, with large differences in the nature of the defects as the local order of the material ranges from amorphous to crystalline. Atomistic simulations also showed a dominant role of defect relaxation processes in controlling internal dissipation. Our studies of one-dimensional and two-dimensional coupled oscillator arrays revealed that it is possible to create mechanical systems that should be ideal for the study of non-linear dynamics and localization.

  16. Sandia Energy - 2015 VIII MECHANICAL BEHAVIOR OF SALT

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    VIII MECHANICAL BEHAVIOR OF SALT Home Stationary Power Nuclear Fuel Cycle Nuclear Energy Workshops 2015 VIII MECHANICAL BEHAVIOR OF SALT 2015 VIII MECHANICAL BEHAVIOR OF...

  17. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    12.3.2 to investigate the small-scale mechanics of indium nanostructures. Scanning x-ray microdiffraction (SXRD) studies revealed that the indium microstructure is typical...

  18. Influence of oriented topological defects on the mechanical properties of carbon nanotube heterojunctions

    SciTech Connect (OSTI)

    Lee, We-Jay [National Center for High-Performance Computing; Chang, Jee-Gong [National Center for High-Performance Computing; Yang, An-Cheng [National Center for High-Performance Computing; Wang, Yeng-Tseng [National Center for High-Performance Computing; Su, Wan-Sheng [National Center for High-Performance Computing; Wang, Cai-Zhuang [Ames Laboratory; Ho, Kai-Ming [Ames Laboratory

    2013-10-10

    The mechanical properties of finite-length (5,0)/(8,0) single-walled carbon nanotube (SWCNT) heterojunctions with manipulated topological defects are investigated using molecular dynamics simulation calculations. The results show that the mechanical properties and deformation behavior of SWCNT heterojunctions are mainly affected not only by the diameter of the thinner segment of the SWCNT heterojunction but also by the orientation of the heptagon-heptagon (7-7) pair in the junction region. Moreover, the orientation of the 7-7 pair strongly affects those properties in the compression loading than those in tensile loading. Finally, it is found that the location of buckling deformation in the heterojunctions is dependent on the orientation of the 7-7 pair in the compression.

  19. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Publication about this research: G. Lee, J.Y. Kim, A.S. Budiman, N. Tamura, M. Kunz, K. Chen, M.J. Burek, J.R. Greer, and T.Y. Tsui, "Fabrication, structure and mechanical...

  20. A multiscale method for the analysis of defect behavior in MO during electron irradiation

    SciTech Connect (OSTI)

    Rest, J.; Insepov, Z.; Ye, B.; Yun, D.

    2014-10-01

    In order to overcome a lack of experimental information on values for key materials properties and kinetic coefficients, a multiscale modeling approach is applied to defect behavior in irradiated Mo where key materials properties, such as point defect (vacancy and interstitial) migration enthalpies as well as kinetic factors such as dimer formation, defect recombination, and self interstitial–interstitial loop interaction coefficients, are obtained by molecular dynamics calculations and implemented into rate-theory simulations of defect behavior. The multiscale methodology is validated against interstitial loop growth data obtained from electron irradiation of pure Mo. It is shown that the observed linear behavior of the loop diameter vs. the square root of irradiation time is a direct consequence of the 1D migration of self-interstitial atoms.

  1. Microstructure and Mechanical Behavior of Directional Solidified...

    Office of Scientific and Technical Information (OSTI)

    Title: Microstructure and Mechanical Behavior of Directional Solidified Fe35Ni15Mn25Al25 Authors: Wu, Xiaolan 1 ; Baker, Ian 1 ; Miller, Michael K 2 ; More, Karren Leslie 2 ...

  2. Deformation mechanisms, defects, heat treatment, and thermal conductivity in large grain niobium

    SciTech Connect (OSTI)

    Bieler, Thomas R. Kang, Di Baars, Derek C.; Chandrasekaran, Saravan; Mapar, Aboozar Wright, Neil T.; Ciovati, Gianluigi Myneni, Ganapati Rao; Pourboghrat, Farhang; Murphy, James E.; Compton, Chris C.

    2015-12-04

    The physical and mechanical metallurgy underlying fabrication of large grain cavities for superconducting radio frequency accelerators is summarized, based on research of 1) grain orientations in ingots, 2) a metallurgical assessment of processing a large grain single cell cavity and a tube, 3) assessment of slip behavior of single crystal tensile samples extracted from a high purity ingot slice before and after annealing at 800 °C / 2 h, 4) development of crystal plasticity models based upon the single crystal experiments, and 5) assessment of how thermal conductivity is affected by strain, heat treatment, and exposure to hydrogen. Because of the large grains, the plastic anisotropy of deformation is exaggerated, and heterogeneous strains and localized defects are present to a much greater degree than expected in polycrystalline material, making it highly desirable to computationally anticipate potential forming problems before manufacturing cavities.

  3. Mechanical Behavior and Radiation Effects | U.S. DOE Office of Science (SC)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mechanical Behavior and Radiation Effects Materials Sciences and Engineering (MSE) Division MSE Home About Research Areas Energy Frontier Research Centers (EFRCs) DOE Energy Innovation Hubs BES Funding Opportunities Reports and Activities Science Highlights Principal Investigators' Meetings BES Home Research Areas Mechanical Behavior and Radiation Effects Print Text Size: A A A FeedbackShare Page This research area supports basic research to understand defects in materials and their effects on

  4. Thermal-hydrologic-mechanical behavior of single fractures in...

    Office of Scientific and Technical Information (OSTI)

    Conference: Thermal-hydrologic-mechanical behavior of single fractures in EGS reservoirs Citation Details In-Document Search Title: Thermal-hydrologic-mechanical behavior of single ...

  5. Dislocation Density-Based Constitutive Model for the Mechanical Behavior of Irradiated Cu

    SciTech Connect (OSTI)

    Arsenlis, A; Wirth, B D; Rhee, M

    2003-04-10

    Performance degradation of structural steels in nuclear environments results from the development of a high number density of nanometer scale defects. The defects observed in copper-based alloys are composed of vacancy clusters in the form of stacking fault tetrahedra and/or prismatic dislocation loops, which impede dislocation glide and are evidenced in macroscopic uniaxial stress-strain curves as increased yield strengths, decreased total strain to failure, decreased work hardening and the appearance of a distinct upper yield point above a critical defect concentration (neutron dose). In this paper, we describe the development of an internal state variable model for the mechanical behavior of materials subject to these environments. This model has been developed within an information-passing multiscale materials modeling framework, in which molecular dynamics simulations of dislocation--radiation defect interactions, inform the final coarse-grained continuum model. The plasticity model includes mechanisms for dislocation density growth and multiplication and for radiation defect density evolution with dislocation interaction. The general behavior of the constitutive (single material point) model shows that as the defect density increases, the initial yield point increases and the initial strain hardening decreases. The final coarse-grained model is implemented into a finite element framework and used to simulate the behavior of tensile specimens with varying levels of irradiation induced material damage. The simulation results compare favorably with the experimentally observed mechanical properties of irradiated materials in terms of their increased strength, decreased hardening, and decreased ductility with increasing irradiation dose.

  6. Defect-reduction mechanism for improving radiative efficiency...

    Office of Scientific and Technical Information (OSTI)

    Subject: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 77 NANOSCIENCE AND NANOTECHNOLOGY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; CAPACITANCE; ...

  7. Investigation of defect nucleation in titanium under mechanical loading

    SciTech Connect (OSTI)

    Zolnikov, Konstantin P. Kryzhevich, Dmitrij S.; Korchuganov, Aleksandr V.; Psakhie, Sergey G.

    2014-11-14

    The paper undertakes a study of plastic deformation in a titanium crystallite under mechanical loading (uniaxial tension and indentation) in terms of atomic mechanisms of its generation and development. The molecular dynamics method with many-body interatomic potentials is employed. It is shown that there is a threshold strain, at which a crystal reveals the generation of local structural transformations associated with changes in atomic configurations of the first and second coordination spheres. The onset of plastic deformation in a crystallite is accompanied by a stepwise decrease in potential energy. The effect of free surfaces and grain boundaries on the generation of local structural transformations in a titanium crystallite is investigated.

  8. Nonradiative coherent carrier captures and defect reaction at deep-level defects via phonon-kick mechanism

    SciTech Connect (OSTI)

    Wakita, Masaki; Suzuki, Kei; Shinozuka, Yuzo

    2014-02-21

    We simulated the time evolution of electron-lattice coupling mode, and a series of nonradiative carrier captures by a deep-level defect in a semiconductor. For lattice relaxation energy of the order of the band gap, a series of coherent (athermal) electron and hole captures by a defect is possible for high carrier densities, which results in an inflation in the induced lattice vibration, which in turn enhances a defect reaction.

  9. A study of the mechanism of laser welding defects in low thermal expansion superalloy GH909

    SciTech Connect (OSTI)

    Yan, Fei; Wang, Chunming, E-mail: yanxiangfei225@163.com; Wang, Yajun; Hu, Xiyuan; Wang, Tianjiao; Li, Jianmin; Li, Guozhu

    2013-04-15

    In this paper, we describe experimental laser welding of low-thermal-expansion superalloy GH909. The main welding defects of GH909 by laser in the weld are liquation cracks and porosities, including hydrogen and carbon monoxide porosity. The forming mechanism of laser welding defects was investigated. This investigation was conducted using an optical microscope, scanning electron microscope, energy diffraction spectrum, X-ray diffractometer and other methodologies. The results demonstrated that porosities appearing in the central weld were related to incomplete removal of oxide film on the surface of the welding samples. The porosities produced by these bubbles were formed as a result of residual hydrogen or oxygenium in the weld. These elements failed to escape from the weld since laser welding has both a rapid welding speed and cooling rate. The emerging crack in the heat affected zone is a liquation crack and extends along the grain boundary as a result of composition segregation. LavesNi{sub 2}Ti phase with low melting point is a harmful phase, and the stress causes grain boundaries to liquefy, migrate and even crack. Removing the oxides on the surface of the samples before welding and carefully controlling technological parameters can reduce welding defects and improve formation of the GH909 alloy weld. - Highlights: ? It is a new process for the forming of GH909 alloy via laser welding. ? The forming mechanism of laser welding defects in GH909 has been studied. ? It may be a means to improve the efficiency of aircraft engine production.

  10. Model for Electron-Beam-Induced Current Analysis of mc-Si Addressing Defect Contrast Behavior in Heavily Contaminated PV Material: Preprint

    SciTech Connect (OSTI)

    Guthrey, H.; Gorman, B.; Al-Jassim, M.

    2012-06-01

    Much work has been done to correlate electron-beam-induced current (EBIC) contrast behavior of extended defects with the character and degree of impurity decoration. However, existing models fail to account for recently observed contrast behavior of defects in heavily contaminated mc-Si PV cells. We have observed large increases in defect contrast with decreasing temperature for all electrically active defects, regardless of their initial contrast signatures at ambient temperature. This negates the usefulness of the existing models in identifying defect character and levels of impurity decoration based on the temperature dependence of the contrast behavior. By considering the interactions of transition metal impurities with the silicon lattice and extended defects, we attempt to provide an explanation for these observations. Our findings will enhance the ability of the PV community to understand and mitigate the effects of these types of defects as the adoption of increasingly lower purity feedstocks for mc-Si PV production continues.

  11. Transport-reaction model for defect and carrier behavior within displacement cascades in gallium arsenide

    SciTech Connect (OSTI)

    Wampler, William R.; Myers, Samuel M.

    2014-02-01

    A model is presented for recombination of charge carriers at displacement damage in gallium arsenide, which includes clustering of the defects in atomic displacement cascades produced by neutron or ion irradiation. The carrier recombination model is based on an atomistic description of capture and emission of carriers by the defects with time evolution resulting from the migration and reaction of the defects. The physics and equations on which the model is based are presented, along with details of the numerical methods used for their solution. The model uses a continuum description of diffusion, field-drift and reaction of carriers and defects within a representative spherically symmetric cluster. The initial radial defect profiles within the cluster were chosen through pair-correlation-function analysis of the spatial distribution of defects obtained from the binary-collision code MARLOWE, using recoil energies for fission neutrons. Charging of the defects can produce high electric fields within the cluster which may influence transport and reaction of carriers and defects, and which may enhance carrier recombination through band-to-trap tunneling. Properties of the defects are discussed and values for their parameters are given, many of which were obtained from density functional theory. The model provides a basis for predicting the transient response of III-V heterojunction bipolar transistors to pulsed neutron irradiation.

  12. Taurine protects methamphetamine-induced developmental angiogenesis defect through antioxidant mechanism

    SciTech Connect (OSTI)

    Shao, Xue; Hu, Zhengtao; Hu, Chunyan; Bu, Qian; Yan, Guangyan; Deng, Pengchi; Lv, Lei; Wu, Dan; Deng, Yi; Zhao, Jinxuan; Zhu, Ruiming; Li, Yan; Li, Hongyu; Xu, Youzhi; Yang, Hanshuo; Zhao, Yinglan; Cen, Xiaobo

    2012-05-01

    Investigations have characterized addictive drug-induced developmental cardiovascular malformation in human, non-human primate and rodent. However, the underlying mechanism of malformation caused by drugs during pregnancy is still largely unknown, and preventive and therapeutic measures have been lacking. Using {sup 1}H NMR spectroscopy, we profiled the metabolites from human embryo endothelial cells exposed to methamphetamine (METH) and quantified a total of 226 peaks. We identified 11 metabolites modified robustly and found that taurine markedly increased. We then validated the hypothesis that this dramatic increase in taurine could attribute to its effect in inhibiting METH-induced developmental angiogenesis defect. Taurine supplement showed a more significant potential than other metabolites in protecting against METH-induced injury in endothelial cells. Taurine strongly attenuated METH-induced inhibition of proliferation and migration in endothelial cells. Furthermore, death rate and vessel abnormality of zebrafish embryos treated with METH were greatly reversed by taurine. In addition, taurine supplement caused a rapid decrease in reactive oxygen species generation and strongly attenuated the excitable arise of antioxidase activities in the beginning of METH exposure prophase. Dysregulations of NF-κB, p-ERK as well as Bax, which reflect apoptosis, cell cycle arrest and oxidative stress in vascular endothelium, were blocked by taurine. Our results provide the first evidence that taurine prevents METH-caused developmental angiogenesis defect through antioxidant mechanism. Taurine could serve as a potential therapeutic or preventive intervention of developmental vascular malformation for the pregnant women with drug use. Highlights: ► Metabonomics findings. ► Abnormal development. ► Dysregulations of key proteins.

  13. Determining mechanical behavior of solid materials using miniature specimens

    DOE Patents [OSTI]

    Manahan, Michael P.; Argon, Ali S.; Harling, Otto K.

    1986-01-01

    A Miniaturized Bend Test (MBT) capable of extracting and determining mechanical behavior information from specimens only so large as to have at least a volume or smallest dimension sufficient to satisfy continuum behavior in all directions. The mechanical behavior of the material is determined from the measurements taken during the bending of the specimen and is processed according to the principles of linear or nonlinear material mechanics or both. In a preferred embodiment the determination is carried out by a code which is constructed according to the finite element method, and the specimen used for the determinations is a miniature disk simply supported for central loading at the axis on the center of the disk.

  14. Determining mechanical behavior of solid materials using miniature specimens

    DOE Patents [OSTI]

    Manahan, M.P.; Argon, A.S.; Harling, O.K.

    1986-02-04

    A Miniaturized Bend Test (MBT) capable of extracting and determining mechanical behavior information from specimens only so large as to have at least a volume or smallest dimension sufficient to satisfy continuum behavior in all directions is disclosed. The mechanical behavior of the material is determined from the measurements taken during the bending of the specimen and is processed according to the principles of linear or nonlinear material mechanics or both. In a preferred embodiment the determination is carried out by a code which is constructed according to the finite element method, and the specimen used for the determinations is a miniature disk simply supported for central loading at the axis on the center of the disk. 51 figs.

  15. Mechanical Behavior of the Near-field Host Rock Surrounding Excavation...

    Office of Scientific and Technical Information (OSTI)

    Mechanical Behavior of the Near-field Host Rock Surrounding Excavations Citation Details In-Document Search Title: Mechanical Behavior of the Near-field Host Rock Surrounding ...

  16. Impact of defects on the electrical transport, optical properties and failure mechanisms of GaN nanowires.

    SciTech Connect (OSTI)

    Armstrong, Andrew M.; Aubry, Sylvie; Shaner, Eric Arthur; Siegal, Michael P.; Li, Qiming; Jones, Reese E.; Westover, Tyler; Wang, George T.; Zhou, Xiao Wang; Talin, Albert Alec; Bogart, Katherine Huderle Andersen; Harris, C. Thomas; Huang, Jian Yu

    2010-09-01

    We present the results of a three year LDRD project that focused on understanding the impact of defects on the electrical, optical and thermal properties of GaN-based nanowires (NWs). We describe the development and application of a host of experimental techniques to quantify and understand the physics of defects and thermal transport in GaN NWs. We also present the development of analytical models and computational studies of thermal conductivity in GaN NWs. Finally, we present an atomistic model for GaN NW electrical breakdown supported with experimental evidence. GaN-based nanowires are attractive for applications requiring compact, high-current density devices such as ultraviolet laser arrays. Understanding GaN nanowire failure at high-current density is crucial to developing nanowire (NW) devices. Nanowire device failure is likely more complex than thin film due to the prominence of surface effects and enhanced interaction among point defects. Understanding the impact of surfaces and point defects on nanowire thermal and electrical transport is the first step toward rational control and mitigation of device failure mechanisms. However, investigating defects in GaN NWs is extremely challenging because conventional defect spectroscopy techniques are unsuitable for wide-bandgap nanostructures. To understand NW breakdown, the influence of pre-existing and emergent defects during high current stress on NW properties will be investigated. Acute sensitivity of NW thermal conductivity to point-defect density is expected due to the lack of threading dislocation (TD) gettering sites, and enhanced phonon-surface scattering further inhibits thermal transport. Excess defect creation during Joule heating could further degrade thermal conductivity, producing a viscous cycle culminating in catastrophic breakdown. To investigate these issues, a unique combination of electron microscopy, scanning luminescence and photoconductivity implemented at the nanoscale will be used in

  17. Carrier-induced transient defect mechanism for non-radiative recombination in InGaN light-emitting devices

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bang, Junhyeok; Sun, Y. Y.; Song, Jung -Hoon; Zhang, S. B.

    2016-04-14

    Non-radiative recombination (NRR) of excited carriers poses a serious challenge to optoelectronic device efficiency. Understanding the mechanism is thus crucial to defect physics and technological applications. Here, by using first-principles calculations, we propose a new NRR mechanism, where excited carriers recombine via a Frenkel-pair (FP) defect formation. While in the ground state the FP is high in energy and is unlikely to form, in the electronic excited states its formation is enabled by a strong electron-phonon coupling of the excited carriers. As a result, this NRR mechanism is expected to be general for wide-gap semiconductors, rather than being limited tomore » InGaN-based light emitting devices.« less

  18. 2010 Thin Film & Small Scale Mechanical Behavior Gordon Research Conference

    SciTech Connect (OSTI)

    Dr. Thomas Balk

    2010-07-30

    Over the past decades, it has been well established that the mechanical behavior of materials changes when they are confined geometrically at least in one dimension to small scale. It is the aim of the 2010 Gordon Conference on 'Thin Film and Small Scale Mechanical Behavior' to discuss cutting-edge research on elastic, plastic and time-dependent deformation as well as degradation mechanisms like fracture, fatigue and wear at small scales. As in the past, the conference will benefit from contributions from fundamental studies of physical mechanisms linked to material science and engineering reaching towards application in modern applications ranging from optical and microelectronic devices and nano- or micro-electrical mechanical systems to devices for energy production and storage. The conference will feature entirely new testing methodologies and in situ measurements as well as recent progress in atomistic and micromechanical modeling. Particularly, emerging topics in the area of energy conversion and storage, such as material for batteries will be highlighted. The study of small-scale mechanical phenomena in systems related to energy production, conversion or storage offer an enticing opportunity to materials scientists, who can provide new insight and investigate these phenomena with methods that have not previously been exploited.

  19. Configuration of ripple domains and their topological defects formed under local mechanical stress on hexagonal monolayer graphene

    SciTech Connect (OSTI)

    Park, Yeonggu; Choi, Jin Sik; Choi, Taekjib; Lee, Mi Jung; Jia, Quanxi; Park, Minwoo; Lee, Hoonkyung; Park, Bae Ho

    2015-03-24

    Ripples in graphene are extensively investigated because they ensure the mechanical stability of two-dimensional graphene and affect its electronic properties. They arise from spontaneous symmetry breaking and are usually manifested in the form of domains with long-range order. It is expected that topological defects accompany a material exhibiting long-range order, whose functionality depends on characteristics of domains and topological defects. However, there remains a lack of understanding regarding ripple domains and their topological defects formed on monolayer graphene. Here we explore configuration of ripple domains and their topological defects in exfoliated monolayer graphenes on SiO₂/Si substrates using transverse shear microscope. We observe three-color domains with three different ripple directions, which meet at a core. Furthermore, the closed domain is surrounded by an even number of cores connected together by domain boundaries, similar to topological vortex and anti-vortex pairs. In addition, we have found that axisymmetric three-color domains can be induced around nanoparticles underneath the graphene. This fascinating configuration of ripple domains may result from the intrinsic hexagonal symmetry of two-dimensional graphene, which is supported by theoretical simulation using molecular dynamics. Our findings are expected to play a key role in understanding of ripple physics in graphene and other two-dimensional materials.

  20. Configuration of ripple domains and their topological defects formed under local mechanical stress on hexagonal monolayer graphene

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Park, Yeonggu; Choi, Jin Sik; Choi, Taekjib; Lee, Mi Jung; Jia, Quanxi; Park, Minwoo; Lee, Hoonkyung; Park, Bae Ho

    2015-03-24

    Ripples in graphene are extensively investigated because they ensure the mechanical stability of two-dimensional graphene and affect its electronic properties. They arise from spontaneous symmetry breaking and are usually manifested in the form of domains with long-range order. It is expected that topological defects accompany a material exhibiting long-range order, whose functionality depends on characteristics of domains and topological defects. However, there remains a lack of understanding regarding ripple domains and their topological defects formed on monolayer graphene. Here we explore configuration of ripple domains and their topological defects in exfoliated monolayer graphenes on SiO₂/Si substrates using transverse shear microscope.more » We observe three-color domains with three different ripple directions, which meet at a core. Furthermore, the closed domain is surrounded by an even number of cores connected together by domain boundaries, similar to topological vortex and anti-vortex pairs. In addition, we have found that axisymmetric three-color domains can be induced around nanoparticles underneath the graphene. This fascinating configuration of ripple domains may result from the intrinsic hexagonal symmetry of two-dimensional graphene, which is supported by theoretical simulation using molecular dynamics. Our findings are expected to play a key role in understanding of ripple physics in graphene and other two-dimensional materials.« less

  1. Determination of Electrochemical Performance and Thermo-Mechanical-Chemical Stability of SOFCs from Defect Modeling

    SciTech Connect (OSTI)

    Eric Wachsman; Keith L. Duncan

    2006-09-30

    This research was focused on two distinct but related issues. The first issue concerned using defect modeling to understand the relationship between point defect concentration and the electrochemical, thermo-chemical and mechano-chemical properties of typical solid oxide fuel cell (SOFC) materials. The second concerned developing relationships between the microstructural features of SOFC materials and their electrochemical performance. To understand the role point defects play in ceramics, a coherent analytical framework was used to develop expressions for the dependence of thermal expansion and elastic modulus on point defect concentration in ceramics. These models, collectively termed the continuum-level electrochemical model (CLEM), were validated through fits to experimental data from electrical conductivity, I-V characteristics, elastic modulus and thermo-chemical expansion experiments for (nominally pure) ceria, gadolinia-doped ceria (GDC) and yttria-stabilized zirconia (YSZ) with consistently good fits. The same values for the material constants were used in all of the fits, further validating our approach. As predicted by the continuum-level electrochemical model, the results reveal that the concentration of defects has a significant effect on the physical properties of ceramic materials and related devices. Specifically, for pure ceria and GDC, the elastic modulus decreased while the chemical expansion increased considerably in low partial pressures of oxygen. Conversely, the physical properties of YSZ remained insensitive to changes in oxygen partial pressure within the studied range. Again, the findings concurred exactly with the predictions of our analytical model. Indeed, further analysis of the results suggests that an increase in the point defect content weakens the attractive forces between atoms in fluorite-structured oxides. The reduction treatment effects on the flexural strength and the fracture toughness of pure ceria were also evaluated at

  2. Deformation mechanisms in a precipitation-strengthened ferritic...

    Office of Scientific and Technical Information (OSTI)

    room-temperature ductility, the creep resistance of this material at high temperatures ... Subject: nuclear (including radiation effects), defects, mechanical behavior, spin ...

  3. Thermal-hydrologic-mechanical behavior of single fractures in...

    Office of Scientific and Technical Information (OSTI)

    (LANL) Sponsoring Org: DOE Country of Publication: United States Language: English Subject: 15 GEOTHERMAL ENERGY; 58 GEOSCIENCES; BEHAVIOR; FRACTURES; GEOTHERMAL SYSTEMS; MEETINGS

  4. SISGR -- Domain Microstructures and Mechanisms for Large, Reversible and Anhysteretic Strain Behaviors in Phase Transforming Ferroelectric Materials

    SciTech Connect (OSTI)

    Wang, Yu U.

    2013-12-06

    This four-year project (including one-year no-cost extension) aimed to advance fundamental understanding of field-induced strain behaviors of phase transforming ferroelectrics. We performed meso-scale phase field modeling and computer simulation to study domain evolutions, mechanisms and engineering techniques, and developed computational techniques for nanodomain diffraction analysis; to further support above originally planned tasks, we also carried out preliminary first-principles density functional theory calculations of point defects and domain walls to complement meso-scale computations as well as performed in-situ high-energy synchrotron X-ray single crystal diffraction experiments to guide theoretical development (both without extra cost to the project thanks to XSEDE supercomputers and DOE user facility Advanced Photon Source).

  5. Defect-Reduction Mechanism for Improving Radiative Efficiency in InGaN/GaN Light-Emitting Diodes using InGaN Underlayers

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Armstrong, Andrew M.; Bryant, Benjamin N.; Crawford, Mary H.; Koleske, Daniel D.; Lee, Stephen R.; Wierer, Jr., Jonathan J.

    2015-04-01

    The influence of a dilute InxGa1-xN (x~0.03) underlayer (UL) grown below a single In0.16Ga0.84N quantum well (SQW), within a light-emitting diode(LED), on the radiative efficiency and deep level defect properties was studied using differential carrier lifetime (DCL) measurements and deep level optical spectroscopy (DLOS). DCL measurements found that inclusion of the UL significantly improved LED radiative efficiency. At low current densities, the non-radiative recombination rate of the LED with an UL was found to be 3.9 times lower than theLED without an UL, while the radiative recombination rates were nearly identical. This, then, suggests that the improved radiative efficiency resultedmore » from reduced non-radiative defect concentration within the SQW. DLOS measurement found the same type of defects in the InGaN SQWs with and without ULs. However, lighted capacitance-voltage measurements of the LEDs revealed a 3.4 times reduction in a SQW-related near-mid-gap defect state for the LED with an UL. Furthermore, quantitative agreement in the reduction of both the non-radiative recombination rate (3.9×) and deep level density (3.4×) upon insertion of an UL corroborates deep level defect reduction as the mechanism for improved LED efficiency.« less

  6. Coupling of Mechanical Behavior of Lithium Ion Cells to Electrochemica...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    o Link mechanical to ECT model * Summary and Future work 3 Introduction * Battery performance, cost, and safety must be further improved for larger market share of HEVsPEVs and ...

  7. 2012 THIN FILM AND SMALL SCALE MECHANICAL BEHAVIOR GRS/GRC, JULY 21-27, 2012

    SciTech Connect (OSTI)

    Balk, Thomas

    2012-07-27

    The mechanical behavior of materials with small dimension(s) is of both fundamental scientific interest and technological relevance. The size effects and novel properties that arise from changes in deformation mechanism have important implications for modern technologies such as thin films for microelectronics and MEMS devices, thermal and tribological coatings, materials for energy production and advanced batteries, etc. The overarching goal of the 2012 Gordon Research Conference on "Thin Film and Small Scale Mechanical Behavior" is to discuss recent studies and future opportunities regarding elastic, plastic and time-dependent deformation, as well as degradation and failure mechanisms such as fatigue, fracture and wear. Specific topics of interest include, but are not limited to: fundamental studies of physical mechanisms governing small-scale mechanical behavior; advances in test techniques for materials at small length scales, such as nanotribology and high-temperature nanoindentation; in-situ mechanical testing and characterization; nanomechanics of battery materials, such as swelling-induced phenomena and chemomechanical behavior; flexible electronics; mechanical properties of graphene and carbon-based materials; mechanical behavior of small-scale biological structures and biomimetic materials. Both experimental and computational work will be included in the oral and poster presentations at this Conference.

  8. Processing and mechanical behavior of hypereutectoid steel wires

    SciTech Connect (OSTI)

    Lesuer, D.R.; Syn, C.K.; Sherby, O.D.; Kim, D.K.

    1996-06-25

    Hypereutectoid steels have the potential for dramatically increasing the strength of wire used in tire cord and in other high strength wire applications. The basis for this possible breakthrough is the elimination of a brittle proeutectoid network that can form along grain boundaries if appropriate processing procedures and alloy additions are used. A review is made of work done by Japanese and other researchers on eutectoid and mildly hypereutectoid wires. A linear extrapolation of the tensile strength of fine wires predicts higher strengths at higher carbon contents. The influence of processing, alloy additions and carbon content in optimizing the strength, ductility and fracture behavior of hypereutectoid steels is presented. It is proposed that the tensile strength of pearlitic wires is dictated by the fracture strength of the carbide lamella at grain boundary locations in the carbide. Methods to improve the strength of carbide grain boundaries and to decrease the carbide plate thickness will contribute to enhancing the ultrahigh strength obtainable in hypereutectoid steel wires. 23 refs., 13 figs., 1 tab.

  9. Crossover behavior in hydrogen sensing mechanism for palladium ultrathin films.

    SciTech Connect (OSTI)

    Darling, S. B.; Ramanathan, M.; Skudlarek, G.; Wang, H. H.; Illinois Math and Science Academy

    2010-01-01

    Palladium has been extensively studied as a material for hydrogen sensors because of the simplicity of its reversible resistance change when exposed to hydrogen gas. Various palladium films and nanostructures have been used, and different responses have been observed with these diverse morphologies. In some cases, such as with nanowires, the resistance will decrease, whereas in others, such as with thick films, the resistance will increase. Each of these mechanisms has been explored for several palladium structures, but the crossover between them has not been systematically investigated. Here we report on a study aimed at deciphering the nanostructure-property relationships of ultrathin palladium films used as hydrogen gas sensors. The crossover in these films is observed at a thickness of {approx} 5 nm. Ramifications for future sensor developments are discussed.

  10. Shedding Light on Nanocrystal Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Shedding Light on Nanocrystal Defects Print Nanocrystals have been the focus of much scientific interest lately, given their various advantageous mechanical properties. Their...

  11. Mechanical behavior simulation of MEMS-based cantilever beam using COMSOL multiphysics

    SciTech Connect (OSTI)

    Acheli, A. Serhane, R.

    2015-03-30

    This paper presents the studies of mechanical behavior of MEMS cantilever beam made of poly-silicon material, using the coupling of three application modes (plane strain, electrostatics and the moving mesh) of COMSOL Multi-physics software. The cantilevers playing a key role in Micro Electro-Mechanical Systems (MEMS) devices (switches, resonators, etc) working under potential shock. This is why they require actuation under predetermined conditions, such as electrostatic force or inertial force. In this paper, we present mechanical behavior of a cantilever actuated by an electrostatic force. In addition to the simplification of calculations, the weight of the cantilever was not taken into account. Different parameters like beam displacement, electrostatics force and stress over the beam have been calculated by finite element method after having defining the geometry, the material of the cantilever model (fixed at one of ends but is free to move otherwise) and his operational space.

  12. Annealing behavior between room temperature and 2000 deg. C of deep level defects in electron-irradiated n-type 4H silicon carbide

    SciTech Connect (OSTI)

    Alfieri, G.; Monakhov, E.V.; Svensson, B.G.; Linnarsson, M.K.

    2005-08-15

    The annealing behavior of irradiation-induced defects in 4H-SiC epitaxial layers grown by chemical-vapor deposition has been systematically studied by means of deep level transient spectroscopy (DLTS). The nitrogen-doped epitaxial layers have been irradiated with 15-MeV electrons at room temperature and an isochronal annealing series from 100 to 2000 deg. C has been performed. The DLTS measurements, which have been carried out in the temperature range from 120 to 630 K after each annealing step, revealed the presence of six electron traps located in the energy range of 0.45-1.6 eV below the conduction-band edge (E{sub c}). The most prominent and stable ones occur at E{sub c}-0.70 eV (labeled Z{sub 1/2}) and E{sub c}-1.60 eV(EH{sub 6/7}). After exhibiting a multistage annealing process over a wide temperature range, presumably caused by reactions with migrating defects, a significant fraction of both Z{sub 1/2} and EH{sub 6/7} (25%) still persists at 2000 deg. C and activation energies for dissociation in excess of 8 and {approx}7.5 eV are estimated for Z{sub 1/2} and EH{sub 6/7}, respectively. On the basis of these results, the identity of Z{sub 1/2} and EH{sub 6/7} is discussed and related to previous assignments in the literature.

  13. Characterization of mechanical behavior of an epithelial monolayer in response to epidermal growth factor stimulation

    SciTech Connect (OSTI)

    Yang, Ruiguo; Chen, Jennifer Y.; Xi, Ning; Lai, King Wai Chiu; Qu, Chengeng; Fung, Carmen Kar Man; Penn, Lynn S.; Xi, Jun

    2012-03-10

    Cell signaling often causes changes in cellular mechanical properties. Knowledge of such changes can ultimately lead to insight into the complex network of cell signaling. In the current study, we employed a combination of atomic force microscopy (AFM) and quartz crystal microbalance with dissipation monitoring (QCM-D) to characterize the mechanical behavior of A431 cells in response to epidermal growth factor receptor (EGFR) signaling. From AFM, which probes the upper portion of an individual cell in a monolayer of cells, we observed increases in energy dissipation, Young's modulus, and hysteresivity. Increases in hysteresivity imply a shift toward a more fluid-like mechanical ordering state in the bodies of the cells. From QCM-D, which probes the basal area of the monolayer of cells collectively, we observed decreases in energy dissipation factor. This result suggests a shift toward a more solid-like state in the basal areas of the cells. The comparative analysis of these results indicates a regionally specific mechanical behavior of the cell in response to EGFR signaling and suggests a correlation between the time-dependent mechanical responses and the dynamic process of EGFR signaling. This study also demonstrates that a combination of AFM and QCM-D is able to provide a more complete and refined mechanical profile of the cells during cell signaling. -- Highlights: Black-Right-Pointing-Pointer The EGF-induced cellular mechanical response is regionally specific. Black-Right-Pointing-Pointer The EGF-induced cellular mechanical response is time and dose dependent. Black-Right-Pointing-Pointer A combination of AFM and QCM-D provides a more complete mechanical profile of cells.

  14. Point defect weakened thermal contraction in monolayer graphene

    SciTech Connect (OSTI)

    Zha, Xian-Hu; Zhang, Rui-Qin; Lin, Zijing

    2014-08-14

    We investigate the thermal expansion behaviors of monolayer graphene and three configurations of graphene with point defects, namely the replacement of one carbon atom with a boron or nitrogen atom, or of two neighboring carbon atoms by boron-nitrogen atoms, based on calculations using first-principles density functional theory. It is found that the thermal contraction of monolayer graphene is significantly decreased by point defects. Moreover, the corresponding temperature for negative linear thermal expansion coefficient with the maximum absolute value is reduced. The cause is determined to be point defects that enhance the mechanical strength of graphene and then reduce the amplitude and phonon frequency of the out-of-plane acoustic vibration mode. Such defect weakening of graphene thermal contraction will be useful in nanotechnology to diminish the mismatching or strain between the graphene and its substrate.

  15. Tuning of the electro-mechanical behavior of the cellular carbon nanotube structures with nanoparticle dispersions

    SciTech Connect (OSTI)

    Gowda, Prarthana; Misra, Abha; Ramamurty, Upadrasta; Center of Excellence for Advanced Materials Research, King Abdulaziz University, Jeddah 21589

    2014-03-10

    The mechanical and electrical characteristics of cellular network of the carbon nanotubes (CNT) impregnated with metallic and nonmetallic nanoparticles were examined simultaneously by employing the nanoindentation technique. Experimental results show that the nanoparticle dispersion not only enhances the mechanical strength of the cellular CNT by two orders of magnitude but also imparts variable nonlinear electrical characteristics; the latter depends on the contact resistance between nanoparticles and CNT, which is shown to depend on the applied load while indentation. Impregnation with silver nanoparticles enhances the electrical conductance, the dispersion with copper oxide and zinc oxide nanoparticles reduces the conductance of CNT network. In all cases, a power law behavior with suppression in the differential conductivity at zero bias was noted, indicating electron tunneling through the channels formed at the CNT-nanoparticle interfaces. These results open avenues for designing cellular CNT foams with desired electro-mechanical properties and coupling.

  16. Electro-mechanical fatigue behavior of a quasi-isotropic laminate with an embedded piezoelectric actuator

    SciTech Connect (OSTI)

    Hsu, T.L.

    1998-09-01

    This study primarily investigated the electro-mechanical fatigue behavior of the embedded piezoelectric actuators in graphite/epoxy laminate with a lay-up of 0/ {+-} 45 / 90s. A secondary focus was the investigation of the mechanical fatigue effects of the 0 / 0 / {+-} 45 / 0 / 0 / 90s laminate with embedded PZT under tensile loading. All the fatigue tests were conducted with a triangular loading waveform which had a frequency of 10 Hz and with R = 0.1. In the electro-mechanical testing, the embedded actuator was excited by a {minus}10 V to {minus}100 V or a 10 V to 100 V voltage input, which resulted in either in-phase or out-of-phase electrically induced strain waveform with respect to the mechanical loading or strain. It was found that the embedded PZTs performed very well during the out-of-phase electro-mechanical and low stress fatigue conditions when the applied strain was within the operating range of PZT. Beyond the upper strain limit, the voltage output of the PZT was primarily influenced by the mechanical fatigue loading. Results from the high stress fatigue tests showed that the embedded piezoelectric actuators did not have significant effect on the tensile strength of the laminates.

  17. Microstructural stability and mechanical behavior of FeNiMnCr high entropy alloy under ion irradiation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Leonard, Keith J.; Bei, Hongbin; Zinkle, Steven J.; Kiran Kumar, N. A. P.; Li, C.

    2016-05-13

    In recent years, high entropy alloys (HEAs) have attracted significant attention due to their excellent mechanical properties and good corrosion resistance, making them potential candidates for high temperature fission and fusion structural applications. However there is very little known about their radiation resistance, particularly at elevated temperatures relevant for energy applications. In the present study, a single phase (face centered cubic) concentrated solid solution alloy of composition 27%Fe-28%Ni-27%Mn-18%Cr was irradiated with 3 or 5.8 MeV Ni ions at temperatures ranging from room temperature to 700 °C and midrange doses from 0.03 to 10 displacements per atom (dpa). Transmission electron microscopymore » (TEM), scanning transmission electron microscopy with energy dispersive x-ray spectrometry (STEM/EDS) and X-ray diffraction (XRD) were used to characterize the radiation defects and microstructural changes. Irradiation at higher temperatures showed evidence of relatively sluggish solute diffusion with limited solute depletion or enrichment at grain boundaries. The main microstructural feature at all temperatures was high-density small dislocation loops. Voids were not observed at any irradiation condition. Nano-indentation tests on specimens irradiated at room temperature showed a rapid increase in hardness ~35% and ~80% higher than the unirradiated value at 0.03 and 0.3 dpa midrange doses, respectively. The irradiation-induced hardening was less pronounced for 500 °C irradiations (<20% increase after 3 dpa). Overall, the examined HEA material exhibits superior radiation resistance compared to conventional single phase Fe-Cr-Ni austenitic alloys such as stainless steels. Furthermore, the present study provides insight on the fundamental irradiation behavior of a single phase HEA material over a broad range of irradiation temperatures.« less

  18. Mechanical and functional behavior of high-temperature Ni-Ti-Pt shape memory alloys

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Buchheit, Thomas E.; Susan, Donald F.; Massad, Jordan E.; McElhanon, James R.; Noebe, Ronald D.

    2016-01-22

    A series of Ti-rich Ni-Ti-Pt ternary alloys with 13 to 18 at. pct Pt were processed by vacuum arc melting and characterized for their transformation behavior to identify shape memory alloys (SMA) that undergo transformation between 448 K and 498 K (175 °C and 225 °C) and achieve recoverable strain exceeding 2 pct. From this broader set of compositions, three alloys containing 15.5 to 16.5 at. pct Pt exhibited transformation temperatures in the vicinity of 473 K (200 °C), thus were targeted for more detailed characterization. Preliminary microstructural evaluation of these three compositions revealed a martensitic microstructure with small amountsmore » of Ti2(Ni,Pt) particles. Room temperature mechanical testing gave a response characteristic of martensitic de-twinning followed by a typical work-hardening behavior to failure. Elevated mechanical testing, performed while the materials were in the austenitic state, revealed yield stresses of approximately 500 MPa and 3.5 pct elongation to failure. Thermal strain recovery characteristics were more carefully investigated with unbiased incremental strain-temperature tests across the 1 to 5 pct strain range, as well as cyclic strain-temperature tests at 3 pct strain. As a result, the unbiased shape recovery results indicated a complicated strain recovery path, dependent on prestrain level, but overall acceptable SMA behavior within the targeted temperature and recoverable strain range.« less

  19. NUMERICAL SIMULATION FOR MECHANICAL BEHAVIOR OF U10MO MONOLITHIC MINIPLATES FOR RESEARCH AND TEST REACTORS

    SciTech Connect (OSTI)

    Hakan Ozaltun & Herman Shen

    2011-11-01

    This article presents assessment of the mechanical behavior of U-10wt% Mo (U10Mo) alloy based monolithic fuel plates subject to irradiation. Monolithic, plate-type fuel is a new fuel form being developed for research and test reactors to achieve higher uranium densities within the reactor core to allow the use of low-enriched uranium fuel in high-performance reactors. Identification of the stress/strain characteristics is important for understanding the in-reactor performance of these plate-type fuels. For this work, three distinct cases were considered: (1) fabrication induced residual stresses (2) thermal cycling of fabricated plates; and finally (3) transient mechanical behavior under actual operating conditions. Because the temperatures approach the melting temperature of the cladding during the fabrication and thermal cycling, high temperature material properties were incorporated to improve the accuracy. Once residual stress fields due to fabrication process were identified, solution was used as initial state for the subsequent simulations. For thermal cycling simulation, elasto-plastic material model with thermal creep was constructed and residual stresses caused by the fabrication process were included. For in-service simulation, coupled fluid-thermal-structural interaction was considered. First, temperature field on the plates was calculated and this field was used to compute the thermal stresses. For time dependent mechanical behavior, thermal creep of cladding, volumetric swelling and fission induced creep of the fuel foil were considered. The analysis showed that the stresses evolve very rapidly in the reactor. While swelling of the foil increases the stress of the foil, irradiation induced creep causes stress relaxation.

  20. Percolation mechanism through trapping/de-trapping process at defect states for resistive switching devices with structure of Ag/Si{sub x}C{sub 1?x}/p-Si

    SciTech Connect (OSTI)

    Liu, Yanhong; Gao, Ping; Li, La; Peng, Wei [School of Physics and Optoelectronic Engineering, Dalian University of Technology, No. 2 Linggong Road, Ganjingzi District, Dalian 116024 (China); Jiang, Xuening; Zhang, Jialiang [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Ministry of Education, Dalian University of Technology, No. 2 Linggong Road, Ganjingzi District, Dalian 116024 (China)

    2014-08-14

    Pure Si{sub x}C{sub 1?x} (x?>?0.5) and B-containing Si{sub x}C{sub 1?x} (x?>?0.5) based resistive switching devices (RSD) with the structure of Ag/Si{sub x}C{sub 1?x}/p-Si were fabricated and their switching characteristics and mechanism were investigated systematically. Percolation mechanism through trapping/ de-trapping at defect states was suggested for the switching process. Through the introduction of B atoms into Si{sub x}C{sub 1?x}, the density of defect states was reduced, then, the SET and RESET voltages were also decreased. Based on the percolation theory, the dependence of SET/RESET voltage on the density of defect states was analyzed. These results supply a deep understanding for the SiC-based RSD, which have a potential application in extreme ambient conditions.

  1. Mechanisms Governing the Creep Behavior of High Temperature Alloys for Generation IV Nuclear Energy Systems

    SciTech Connect (OSTI)

    Vasudevan, Vijay; Carroll, Laura; Sham, Sam

    2015-04-06

    This research project, which includes collaborators from INL and ORNL, focuses on the study of alloy 617 and alloy 800H that are candidates for applications as intermediate heat exchangers in GEN IV nuclear reactors, with an emphasis on the effects of grain size, grain boundaries and second phases on the creep properties; the mechanisms of dislocation creep, diffusional creep and cavitation; the onset of tertiary creep; and theoretical modeling for long-term predictions of materials behavior and for high temperature alloy design.

  2. Progress in understanding the mechanical behavior of pressure-vessel materials at elevated temperatures

    SciTech Connect (OSTI)

    Swindeman, R.W.; Brinkman, C.R.

    1981-01-01

    Progress during the 1970's on the production of high-temperature mechanical properties data for pressure vessel materials was reviewed. The direction of the research was toward satisfying new data requirements to implement advances in high-temperature inelastic design methods. To meet these needs, servo-controlled testing machines and high-resolution extensometry were developed to gain more information on the essential behavioral features of high-temperature alloys. The similarities and differences in the mechanical response of various pressure vessel materials were identified. High-temperature pressure vessel materials that have received the most attention included Type 304 stainless steel, Type 316 stainless steel, 2 1/4 Cr-1 Mo steel, alloy 800H, and Hastelloy X.

  3. Effects of Stone-Wales and vacancy defects in atomic-scale friction on defective graphite

    SciTech Connect (OSTI)

    Sun, Xiao-Yu; Wu, RunNi; Xia, Re; Chu, Xi-Hua; Xu, Yuan-Jie

    2014-05-05

    Graphite is an excellent solid lubricant for surface coating, but its performance is significantly weakened by the vacancy or Stone-Wales (SW) defect. This study uses molecular dynamics simulations to explore the frictional behavior of a diamond tip sliding over a graphite which contains a single defect or stacked defects. Our results suggest that the friction on defective graphite shows a strong dependence on defect location and type. The 5-7-7-5 structure of SW defect results in an effectively negative slope of friction. For defective graphite containing a defect in the surface, adding a single vacancy in the interior layer will decrease the friction coefficients, while setting a SW defect in the interior layer may increase the friction coefficients. Our obtained results may provide useful information for understanding the atomic-scale friction properties of defective graphite.

  4. The aging behavior and the mechanical properties of the Mg-Li-Al-Cu alloy

    SciTech Connect (OSTI)

    Saito, N.; Mabuchi, M.; Nakanishi, M.; Kubota, K.; Higashi, K.

    1997-03-01

    The purpose of the present work is to improve the elongation of the b.c.c. single phase Mg-Li-Al alloys by the addition of the fourth alloying element. As the fourth alloying element, the authors have chosen copper because it is slightly soluble in magnesium and is expected to act as the nucleation sites for precipitates in this alloy; many nucleation sites for the precipitates are introduced into the Mg-Li-Al alloy so that the precipitates particles are finely and uniformly dispersed. Hence, it is expected that a good combination between high tensile strength and high elongation is obtained. The authors have investigated the relationship between aging behavior and the mechanical properties of the Mg-37.5 at%Li-0.7 at%Al-0.4 at5 Cu alloy.

  5. Charging/discharging behavior and mechanism of silicon quantum dots embedded in amorphous silicon carbide films

    SciTech Connect (OSTI)

    Wen, Xixing; Zeng, Xiangbin Zheng, Wenjun; Liao, Wugang; Feng, Feng

    2015-01-14

    The charging/discharging behavior of Si quantum dots (QDs) embedded in amorphous silicon carbide (a-SiC{sub x}) was investigated based on the Al/insulating layer/Si QDs embedded in a-SiC{sub x}/SiO{sub 2}/p-Si (metal-insulator-quantum dots-oxide-silicon) multilayer structure by capacitance-voltage (C-V) and conductance-voltage (G-V) measurements. Transmission electron microscopy and Raman scattering spectroscopy measurements reveal the microstructure and distribution of Si QDs. The occurrence and shift of conductance peaks indicate the carrier transfer and the charging/discharging behavior of Si QDs. The multilayer structure shows a large memory window of 5.2 eV at ±8 V sweeping voltage. Analysis of the C-V and G-V results allows a quantification of the Coulomb charging energy and the trapped charge density associated with the charging/discharging behavior. It is found that the memory window is related to the size effect, and Si QDs with large size or low Coulomb charging energy can trap two or more electrons by changing the charging voltage. Meanwhile, the estimated lower potential barrier height between Si QD and a-SiC{sub x}, and the lower Coulomb charging energy of Si QDs could enhance the charging and discharging effect of Si QDs and lead to an enlarged memory window. Further studies of the charging/discharging mechanism of Si QDs embedded in a-SiC{sub x} can promote the application of Si QDs in low-power consumption semiconductor memory devices.

  6. Quantum mechanical studies of carbon structures

    SciTech Connect (OSTI)

    Bartelt, Norman Charles; Ward, Donald; Zhou, Xiaowang; Foster, Michael E.; Schultz, Peter A.; Wang, Bryan M.; McCarty, Kevin F.

    2015-10-01

    Carbon nanostructures, such as nanotubes and graphene, are of considerable interest due to their unique mechanical and electrical properties. The materials exhibit extremely high strength and conductivity when defects created during synthesis are minimized. Atomistic modeling is one technique for high resolution studies of defect formation and mitigation. To enable simulations of the mechanical behavior and growth mechanisms of C nanostructures, a high-fidelity analytical bond-order potential for the C is needed. To generate inputs for developing such a potential, we performed quantum mechanical calculations of various C structures.

  7. Shedding Light on Nanocrystal Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Shedding Light on Nanocrystal Defects Print Nanocrystals have been the focus of much scientific interest lately, given their various advantageous mechanical properties. Their resistance to stress has had researchers proposing nanocrystals as a promising new protective coating for advanced gas turbine and jet engines. But recent studies conducted at the ALS show that the tiny size of nanocrystals does not safeguard them from defects. Engineering Nanocrystal Materials Most nanocrystal materials

  8. Shedding Light on Nanocrystal Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Shedding Light on Nanocrystal Defects Print Nanocrystals have been the focus of much scientific interest lately, given their various advantageous mechanical properties. Their resistance to stress has had researchers proposing nanocrystals as a promising new protective coating for advanced gas turbine and jet engines. But recent studies conducted at the ALS show that the tiny size of nanocrystals does not safeguard them from defects. Engineering Nanocrystal Materials Most nanocrystal materials

  9. Shedding Light on Nanocrystal Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Shedding Light on Nanocrystal Defects Print Nanocrystals have been the focus of much scientific interest lately, given their various advantageous mechanical properties. Their resistance to stress has had researchers proposing nanocrystals as a promising new protective coating for advanced gas turbine and jet engines. But recent studies conducted at the ALS show that the tiny size of nanocrystals does not safeguard them from defects. Engineering Nanocrystal Materials Most nanocrystal materials

  10. Shedding Light on Nanocrystal Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Shedding Light on Nanocrystal Defects Print Nanocrystals have been the focus of much scientific interest lately, given their various advantageous mechanical properties. Their resistance to stress has had researchers proposing nanocrystals as a promising new protective coating for advanced gas turbine and jet engines. But recent studies conducted at the ALS show that the tiny size of nanocrystals does not safeguard them from defects. Engineering Nanocrystal Materials Most nanocrystal materials

  11. Shedding Light on Nanocrystal Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Shedding Light on Nanocrystal Defects Print Nanocrystals have been the focus of much scientific interest lately, given their various advantageous mechanical properties. Their resistance to stress has had researchers proposing nanocrystals as a promising new protective coating for advanced gas turbine and jet engines. But recent studies conducted at the ALS show that the tiny size of nanocrystals does not safeguard them from defects. Engineering Nanocrystal Materials Most nanocrystal materials

  12. Shedding Light on Nanocrystal Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Shedding Light on Nanocrystal Defects Shedding Light on Nanocrystal Defects Print Thursday, 20 June 2013 10:41 Nanocrystals have been the focus of much scientific interest lately, given their various advantageous mechanical properties. Their resistance to stress has had researchers proposing nanocrystals as a promising new protective coating for advanced gas turbine and jet engines. But recent studies conducted at the ALS show that the tiny size of nanocrystals does not safeguard them from

  13. Microstructure evolution and mechanical behavior of a high strength dual-phase steel under monotonic loading

    SciTech Connect (OSTI)

    Nesterova, E.V.; Bouvier, S.; Bacroix, B.

    2015-02-15

    Transmission electron microscopy (TEM) microstructures of a high-strength dual-phase steel DP800 have been examined after moderate plastic deformations in simple shear and uniaxial tension. Special attention has been paid to the effect of the intergranular hard phase (martensite) on the microstructure evolution in the near-grain boundary regions. Quantitative parameters of dislocation patterning have been determined and compared with the similar characteristics of previously examined single-phase steels. The dislocation patterning in the interiors of the ferrite grains in DP800 steel is found to be similar to that already observed in the single-phase IF (Interstitial Free) steel whereas the martensite-affected zones present a delay in patterning and display very high gradients of continuous (gradual) disorientations associated with local internal stresses. The above stresses are shown to control the work-hardening of dual-phase materials at moderate strains for monotonic loading and are assumed to influence their microstructure evolution and mechanical behavior under strain-path changes. - Highlights: • The microstructure evolution has been studied by TEM in a DP800 steel. • It is influenced by both martensite and dislocations in the initial state. • The DP800 steel presents a high work-hardening rate due to internal stresses.

  14. Effects of Sn addition on the microstructure, mechanical properties and corrosion behavior of Ti–Nb–Sn alloys

    SciTech Connect (OSTI)

    Moraes, Paulo E.L.; Contieri, Rodrigo J.; Lopes, Eder S.N.; Robin, Alain; Caram, Rubens

    2014-10-15

    Ti and Ti alloys are widely used in restorative surgery because of their good biocompatibility, enhanced mechanical behavior and high corrosion resistance in physiological media. The corrosion resistance of Ti-based materials is due to the spontaneous formation of the TiO{sub 2} oxide film on their surface, which exhibits elevated stability in biological fluids. Ti–Nb alloys, depending on the composition and the processing routes to which the alloys are subjected, have high mechanical strength combined with low elastic modulus. The addition of Sn to Ti–Nb alloys allows the phase transformations to be controlled, particularly the precipitation of ω phase. The aim of this study is to discuss the microstructure, mechanical properties and corrosion behavior of cast Ti–Nb alloys to which Sn has been added. Samples were centrifugally cast in a copper mold, and the microstructure was characterized using optical microscopy, scanning electron microscopy and X-ray diffractometry. Mechanical behavior evaluation was performed using Berkovich nanoindentation, Vickers hardness and compression tests. The corrosion behavior was evaluated in Ringer's solution at room temperature using electrochemical techniques. The results obtained suggested that the physical, mechanical and chemical behaviors of the Ti–Nb–Sn alloys are directly dependent on the Sn content. - Graphical abstract: Effects of Sn addition to the Ti–30Nb alloy on the elastic modulus. - Highlights: • Sn addition causes reduction of the ω phase precipitation. • Minimum Vickers hardness and elastic modulus occurred for 6 wt.% Sn content. • Addition of 6 wt.% Sn resulted in maximum ductility and minimum compression strength. • All Ti–30Nb–XSn (X = 0, 2, 4, 6, 8 and 10%) alloys are passive in Ringer's solution. • Highest corrosion resistance was observed for 6 wt.% Sn content.

  15. Effects of irradiation on the mechanical behavior of twined SiC nanowires

    SciTech Connect (OSTI)

    Jin Enze; Niu Lisha; Lin Enqiang; Duan Zheng [AML, Department of Engineering Mechanics, Tsinghua University, Beijing 100084 (China)

    2013-03-14

    Irradiation is known to bring new features in one-dimensional nano materials. In this study, we used molecular dynamics simulations to investigate the irradiation effects on twined SiC nanowires. Defects tend to accumulate from outside toward inside of the twined SiC nanowires with increasing irradiation dose, leading to a transition from brittle to ductile failure under tensile load. Atomic chains are formed in the ductile failure process. The first-principles calculations show that most of the atomic chains are metallic.

  16. Numerical study of mechanical behavior of ceramic composites under compression loading in the framework of movable cellular automaton method

    SciTech Connect (OSTI)

    Konovalenko, Igor S. Smolin, Alexey Yu. Konovalenko, Ivan S.; Promakhov, Vladimir V.; Psakhie, Sergey G.

    2014-11-14

    Movable cellular automaton method was used for investigating the mechanical behavior of ceramic composites under uniaxial compression. A 2D numerical model of ceramic composites based on oxides of zirconium and aluminum with different structural parameters was developed using the SEM images of micro-sections of a real composite. The influence of such structural parameters as the geometrical dimensions of layers, inclusions, and their spatial distribution in the sample, the volume content of the composite components and their mechanical properties (as well as the amount of zirconium dioxide that underwent the phase transformation) on the fracture, strength, deformation and dissipative properties was investigated.

  17. Coupling of Mechanical Behavior of Cell Components to Electrochemical-Thermal Models for Computer- Aided Engineering of Batteries under Abuse

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Coupling of Mechanical Behavior of Cell Components to Electrochemical-Thermal Models for Computer- Aided Engineering of Batteries under Abuse P.I.: Ahmad Pesaran Team: Tomasz Wierzbicki and Elham Sahraei (MIT) Genong Li and Lewis Collins (ANSYS) M. Sprague, G.H. Kim and S. Santhangopalan (NREL) June 17, 2014 This presentation does not contain any proprietary, confidential, or otherwise restricted information. Project ID: ES199 NREL/PR-5400-61885 2 Overview * Project Start: October 2013 * Project

  18. 3D Simulation of Missing Pellet Surface Defects in Light Water Reactor Fuel Rods

    SciTech Connect (OSTI)

    B.W. Spencer; J.D. Hales; S.R. Novascone; R.L. Williamson

    2012-09-01

    The cladding on light water reactor (LWR) fuel rods provides a stable enclosure for fuel pellets and serves as a first barrier against fission product release. Consequently, it is important to design fuel to prevent cladding failure due to mechanical interactions with fuel pellets. Cladding stresses can be effectively limited by controlling power increase rates. However, it has been shown that local geometric irregularities caused by manufacturing defects known as missing pellet surfaces (MPS) in fuel pellets can lead to elevated cladding stresses that are sufficiently high to cause cladding failure. Accurate modeling of these defects can help prevent these types of failures. Nuclear fuel performance codes commonly use a 1.5D (axisymmetric, axially-stacked, one-dimensional radial) or 2D axisymmetric representation of the fuel rod. To study the effects of MPS defects, results from 1.5D or 2D fuel performance analyses are typically mapped to thermo-mechanical models that consist of a 2D plane-strain slice or a full 3D representation of the geometry of the pellet and clad in the region of the defect. The BISON fuel performance code developed at Idaho National Laboratory employs either a 2D axisymmetric or 3D representation of the full fuel rod. This allows for a computational model of the full fuel rod to include local defects. A 3D thermo-mechanical model is used to simulate the global fuel rod behavior, and includes effects on the thermal and mechanical behavior of the fuel due to accumulation of fission products, fission gas production and release, and the effects of fission gas accumulation on thermal conductivity across the fuel-clad gap. Local defects can be modeled simply by including them in the 3D fuel rod model, without the need for mapping between two separate models. This allows for the complete set of physics used in a fuel performance analysis to be included naturally in the computational representation of the local defect, and for the effects of the

  19. Mechanical behaviors and phase transition of Ho{sub 2}O{sub 3} nanocrystals under high pressure

    SciTech Connect (OSTI)

    Yan, Xiaozhi; Ren, Xiangting; He, Duanwei E-mail: yangwg@hpstar.ac.cn; Chen, Bin; Yang, Wenge E-mail: yangwg@hpstar.ac.cn

    2014-07-21

    Mechanical properties and phase transition often show quite large crystal size dependent behavior, especially at nanoscale under high pressure. Here, we have investigated Ho{sub 2}O{sub 3} nanocrystals with in-situ x-ray diffraction and Raman spectroscopy under high pressure up to 33.5 GPa. When compared to the structural transition routine cubic -> monoclinic -> hexagonal phase in bulk Ho{sub 2}O{sub 3} under high pressure, the nano-sized Ho{sub 2}O{sub 3} shows a much higher onset transition pressure from cubic to monoclinic structure and followed by a pressure-induced-amorphization under compression. The detailed analysis on the Q (Q = 2π/d) dependent bulk moduli reveals the nanosized Ho{sub 2}O{sub 3} particles consist of a clear higher compressible shell and a less compressible core. Insight into these phenomena shed lights on micro-mechanism studies of the mechanical behavior and phase evolution for nanomaterials under high pressure, in general.

  20. Memristive behavior and forming mechanism of homogeneous TiO{sub x} device

    SciTech Connect (OSTI)

    Dong, Ruixin; Yan, Xunling; Zhang, Zhang; Wang, Minghong

    2015-01-15

    Highlights: • We fabricated a homogeneity TiO{sub x} device with excellent memristive behavior. • The double-interface conductive filament model is suggested. • The calculated I–V curve is in agreement with the experimental results. • The switching voltage could be adjusted by selecting the proper electrode materials. - Abstract: A homogeneous titanium oxide device is fabricated by Molecular Beam Epitaxy and the excellent memristive behavior could be observed. The resistance ratio between high resistance state and low resistance state increases as the thickness of titanium oxide or the oxygen content reduces. The forming voltage is lower than the previous report. Based on the experimental results, we suggest a double-interface conductive filament model and calculate the current–voltage curve of the device in agreement with experimental measurements. The result indicates that the forming voltage of the device will rise with increasing of the chemical potential differences across the two interfaces. In other words, the switching voltage could be adjusted by selecting a proper electrode and oxide materials.

  1. Vehicle Technologies Office Merit Review 2014: Coupling of Mechanical Behavior of Cell Components to Electrochemical-Thermal Models for Computer-Aided Engineering of Batteries under Abuse

    Broader source: Energy.gov [DOE]

    Presentation given by NREL at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about coupling of mechanical behavior of cell...

  2. Design of defect spins in piezoelectric aluminum nitride for...

    Office of Scientific and Technical Information (OSTI)

    Design of defect spins in piezoelectric aluminum nitride for solid-state hybrid quantum ... Language: English Subject: 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS electronic ...

  3. Phase transformation and mechanical behavior in annealed 2205 duplex stainless steel welds

    SciTech Connect (OSTI)

    Badji, Riad Bouabdallah, Mabrouk; Bacroix, Brigitte; Kahloun, Charlie; Belkessa, Brahim; Maza, Halim

    2008-04-15

    The phase transformations and mechanical behaviour during welding and subsequent annealing treatment of 2205 duplex stainless steel have been investigated. Detailed microstructural examination showed the presence of higher ferrite amounts in the heat affected zone (HAZ), while higher amounts of austenite were recorded in the centre region of the weld metal. Annealing treatments in the temperature range of 800-1000 deg. C resulted in a precipitation of {sigma} phase and M{sub 23}C{sub 6} chromium carbides at the {gamma}/{delta} interfaces that were found to be preferential precipitation sites. Above 1050 deg. C, the volume fraction of {delta} ferrite increases with annealing temperature. The increase of {delta} ferrite occurs at a faster rate in the HAZ than in the base metal and fusion zone. Optimal mechanical properties and an acceptable ferrite/austenite ratio throughout the weld regions corresponds to annealing at 1050 deg. C. Fractographic examinations showed that the mode of failure changed from quasi-cleavage fracture to dimple rupture with an increase in the annealing temperature from 850 to 1050 deg. C.

  4. Microstructure and anisotropic mechanical behavior of friction stir welded AA2024 alloy sheets

    SciTech Connect (OSTI)

    Zhang, Zhihan; Li, Wenya; Li, Jinglong; Chao, Y.J.; Vairis, A.

    2015-09-15

    The anisotropic mechanical properties of friction stir welded (FSW) AA2024-T3 alloy joints were investigated based on the uniaxial tensile tests. The joint microstructure was examined by using electron back-scattered diffraction and transmission electron microscope. Results show that the evident anisotropic failure and yielding are present in the FSW joints. With the increase of loading angle from 0° to 90° the ultimate tensile strength and elongation of the specimens consistently decrease, or at first decrease and then increase, depending on the FSW process parameters. The specimen cut from the weld direction, i.e. a loading angle of 0°, exhibits the highest strength and elongation. - Highlights: • Microstructure and anisotropy of friction stir welded joints were studied. • The evident anisotropic failure and yielding are present in joints. • The lowest yield stress and UTS are at 45° and 60° loadings, respectively. • Rotation speed heavily impact on the anisotropy of joints.

  5. Microstructure characterization and mechanical behaviors of a hot forged high Nb containing PM-TiAl alloy

    SciTech Connect (OSTI)

    Li, Jianbo; Liu, Yong; Liu, Bin; Wang, Yan; Liang, Xiaopeng; He, Yuehui

    2014-09-15

    In this work, the effects of deformation on the microstructure and mechanical behaviors of TiAl alloy were investigated. Deformed microstructure observation was characterized by scanning electron microscopy, electron back scattered diffraction technique, transmission electron microscopy and DEFORM-3D software. Results indicated that the core area of the TiAl pancake was characterized by completely dynamically recrystallized microstructures, however some residual lamellar colonies can be observed near the edge area, which are primarily caused by a temperature drop and inhomogenous plastic flow. The main softening mechanism is dynamic recrystallization of γ grains. The as-forged alloy exhibited excellent mechanical properties at both room temperature and high temperature. Tensile test results showed that the ultimate tensile strength of the alloy increased from 832 MPa at room temperature to 853 MPa at 700 °C, while the elongation increased from 2.7% to 17.8%. Even at the temperature of 850 °C, the ultimate tensile strength maintained 404 MPa, and the elongation increased to 75%. The as-forged alloy also exhibited remarkable low-temperature superplasticity at 850 °C, with an elongation of 120%. - Highlights: • The core area of the TiAl pancake was characterized by DRX microstructure. • The elongation at RT is higher than that of other high Nb-containing TiAl alloys. • The forged alloy exhibited low-temperature superplasticity at 850 °C.

  6. Mechanisms affecting swelling in alloys with precipitates

    SciTech Connect (OSTI)

    Mansur, L.K.; Haynes, M.R.; Lee, E.H.

    1980-01-01

    In alloys under irradiation many mechanisms exist that couple phase instability to cavity swelling. These are compounded with the more familiar mechanisms associated with point defect behavior and the evolution of microstructure. The mechanisms may be classified according to three modes of operation. Some affect cavity swelling directly by cavity-precipitate particle association, others operate indirectly by precipitate-induced changes in sinks other than cavities and finally there are mechanisms that are mediated by precipitate-induced changes in the host matrix. The physics of one mechanism of each type is developed in detail and the results compared where possible to experimental measurements. In particular, we develop the theory necessary to treat the effects on swelling of precipitation-induced changes in overall sink density; precipitation-induced changes in point defect trapping by solute depletion and creation of precipitate particle-matrix interfacial trap sites.

  7. Mechanical and thermal behavior of a prototype support structure for a large silicon vertex detector (BCD)

    SciTech Connect (OSTI)

    Mulderink, H.; Michels, N.; Joestlein, H.; Apple Valley High School, Rosemont, MN; Fermi National Accelerator Lab., Batavia, IL )

    1989-08-23

    The Bottom Collider Detector (BCD) has been proposed as a device to study large numbers of events containing B mesons. To identify secondary vertices in hadronic events it will employ the most ambitious silicon strip tracking detector proposed to-date. This report will discuss results from measurements on a first mechanical/thermal model of the vertex detector support structure. The model that was built and used for the studies described here is made of brass. Brass was used because it is readily available and easily assembled by soft soldering, and, for appropriate thicknesses, it will behave similarly to the beryllium that will be used in the actual detector. The trough was built to full scale with the reinforcement webbing and the cooling channels in place. There were no detector modules in place. We plan, however, to install modules in the trough in the future. The purpose of the model was to address two concerns that have arisen about the proposed structure of the detector. The first is whether or not the trough will be stable enough. The trough must be very light in weight yet have a high degree of rigidity. Because of the 3m length of the detector there is question as to the stiffness of the proposed trough. The main concern is that there will sagging or movement of the trough in the middle region. The second problem is the heat load. There will be a great deal of heat generated by the electronics attached to the detector modules. So the question arises as to whether or not the silicon detectors can be kept cool enough so that when the actual experiment is run the readings will be valid. The heat may also induce motion by differential expansion of support components. 26 figs.

  8. Final Technical Report of project: "Contactless Real-Time Monitoring of Paper Mechanical Behavior During Papermaking"

    SciTech Connect (OSTI)

    Emmanuel Lafond; Paul Ridgway; Ted Jackson; Rick Russo; Ken Telschow; Vance Deason; Yves Berthelot; David Griggs; Xinya Zhang; Gary Baum

    2005-08-30

    The early precursors of laser ultrasonics on paper were Prof. Y. Berthelot from the Georgia Institute of Technology/Mechanical Engineering department, and Prof. P. Brodeur from the Institute of Paper Science and Technology, both located in Atlanta, Georgia. The first Ph.D. thesis that shed quite some light on the topic, but also left some questions unanswered, was completed by Mont A. Johnson in 1996. Mont Johnson was Prof. Berthelot's student at Georgia Tech. In 1997 P. Brodeur proposed a project involving himself, Y. Berthelot, Dr. Ken Telschow and Mr. Vance Deason from INL, Honeywell-Measurex and Dr. Rick Russo from LBNL. The first time the proposal was not accepted and P. Brodeur decided to re-propose it without the involvement from LBNL. Rick Russo proposed a separate project on the same topic on his side. Both proposals were finally accepted and work started in the fall of 1997 on the two projects. Early on, the biggest challenge was to find an optical detection method which could detect laser-induced displacements of the web surface that are of the order of .1 micron in the ultrasonic range. This was to be done while the web was having an out-of-plane amplitude of motion in the mm range due to web flutter; while moving at 10 m/s to 30 m/s in the plane of the web, on the paper machine. Both teams grappled with the same problems and tried similar methods in some cases, but came up with two similar but different solutions one year later. The IPST, GT, INL team found that an interferometer made by Lasson Technologies Inc. using the photo-induced electro-motive force in Gallium Arsenide was able to detect ultrasonic waves up to 12-15 m/s. It also developed in house an interferometer using the Two-Wave Mixing effect in photorefractive crystals that showed good promises for on-line applications, and experimented with a scanning mirror to reduce motion-induced texture noise from the web and improve signal to noise ratio. On its side, LBNL had the idea to combine a

  9. Neutron-induced defects in optical fibers

    SciTech Connect (OSTI)

    Rizzolo, S.; Morana, A.; Boukenter, A.; Ouerdane, Y.; Girard, S.; Cannas, M.; Boscaino, R.; Bauer, S.; Perisse, J.; Mace, J-R.; Nacir, B.

    2014-10-21

    We present a study on 0.8 MeV neutron-induced defects up to fluences of 10{sup 17} n/cm{sup 2} in fluorine doped optical fibers by using electron paramagnetic resonance, optical absorption and confocal micro-luminescence techniques. Our results allow to address the microscopic mechanisms leading to the generation of Silica-related point-defects such as E', H(I), POR and NBOH Centers.

  10. Characterization and modeling of mechanical behavior of single crystal titanium deformed by split-Hopkinson pressure bar

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Morrow, B. M.; Lebensohn, R. A.; Trujillo, C. P.; Martinez, D. T.; Addessio, F. L.; Bronkhorst, C. A.; Lookman, T.; Cerreta, E. K.

    2016-03-28

    Single crystal titanium samples were dynamically loaded using split-Hopkinson pressure bar (SHPB) and the resulting microstructures were examined. Characterization of the twins and dislocations present in the microstructure was conducted to understand the pathway for observed mechanical behavior. Electron backscatter diffraction (EBSD) was used to measure textures and quantify twinning. Microstructures were profusely twinned after loading, and twin variants and corresponding textures were different as a function of initial orientation. Focused ion beam (FIB) foils were created to analyze dislocation content using transmission electron microscopy (TEM). Large amounts of dislocations were present, indicating that plasticity was achieved through slip andmore » twinning together. Viscoplastic self-consistent (VPSC) modeling was used to confirm the complex order of operations during deformation. The activation of different mechanisms was highly dependent upon crystal orientation. For [0001] and View the MathML source[101¯1]-oriented crystals, compressive twinning was observed, followed by secondary tensile twinning. Furthermore, dislocations though prevalent in the microstructure, contributed to final texture far less than twinning.« less

  11. Point defects and ion migration in PbFCl

    SciTech Connect (OSTI)

    Islam, M.S. )

    1990-04-01

    Atomistic simulation techniques have been applied to PbFCl in order to calculate the energetics of defect formation and ion transport mechanisms in the undoped material. Schottky-like disorder is computed to be the dominant ionic defect. The activation energies for a variety of anion vacancy migration mechanisms are calculated and found to be in good agreement with experiment.

  12. Micrograph Defect Indentifier

    Energy Science and Technology Software Center (OSTI)

    2012-10-11

    Micrograph image defect identifier is a computer code written in MATLAB to automatically detect defects on scanned image of thin film membrane samples employing three methods: global threshold, line detection and k-means segmentation. The results are segmented binary images of thin film with defects identified. Defect area fractions are also calculated. The users may use default functional variables calculated by program, or input preferred value from user’s experience. This will empower the user to processingmore » the image with more flexibility. MDI was designed to identify defects of thin films fabricated. It is also used in phase identification, porosity study on SEM, OM, TEM images. Different methods were applied in this software package: global threshold, line detection and k-means segmentation.« less

  13. Behavior of a quasi-isotropic ply metal matrix composite under thermo-mechanical and isothermal fatigue loading. Master's thesis

    SciTech Connect (OSTI)

    Hart, K.A.

    1992-12-01

    This study investigated the behavior of the SCS6/Ti-15-3 metal matrix composite with a quasi-isotropic layup when tested under static and fatigue conditions. Specimens were subjected to in-phase and out-of-phase thermo-mechanical and isothermal fatigue loading. In-phase and isothermal loading produced a fiber dominated failure while the out-of-phase loading produced a matrix dominated failure. Also, fiber domination in all three profiles was present at higher maximum applied loads and al three profiles demonstrated matrix domination at lower maximum applied loads. Thus, failure is both profile dependent and load equipment. Additional analyses, using laminated plate theory, Halpin-Tsai equations, METCAN, and the Linear Life Fraction Model (LLFM), showed: the as-received specimens contained plies where a portion of the fibers are debonded from the matrix; during fatigue cycling, the 90 deg. plies and a percentage of the 45 deg. plies failed immediately with greater damage becoming evident with additional cycles; and, the LLFM suggests that there may be a non-linear combination of fiber and matrix domination for in-phase and isothermal cycling.

  14. On nuclear reactions in defects

    SciTech Connect (OSTI)

    Sienes, J.K. )

    1991-05-01

    The variability of results concerning cold fusion, together with the difficulty of explaining the observations, suggests that some nonstandard processes may be occurring. One such possibility is that nuclear reactions occur in defects of a deuterated lattice as a result of transient motions that momentarily bring deuterium atoms into close proximity. In this paper a mechanism involving shear of a one-dimensional lattice is described that illustrates this possibility. Order-of-magnitude estimates indicate that the expected fusion rate is not inconsistent with some experiments.

  15. Shedding Light on Nanocrystal Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Shedding Light on Nanocrystal Defects Shedding Light on Nanocrystal Defects Print Thursday, 20 June 2013 10:41 Nanocrystals have been the focus of much scientific interest lately,...

  16. Automated Defect Classification (ADC)

    Energy Science and Technology Software Center (OSTI)

    1998-01-01

    The ADC Software System is designed to provide semiconductor defect feature analysis and defect classification capabilities. Defect classification is an important software method used by semiconductor wafer manufacturers to automate the analysis of defect data collected by a wide range of microscopy techniques in semiconductor wafer manufacturing today. These microscopies (e.g., optical bright and dark field, scanning electron microscopy, atomic force microscopy, etc.) generate images of anomalies that are induced or otherwise appear on wafermore » surfaces as a result of errant manufacturing processes or simple atmospheric contamination (e.g., airborne particles). This software provides methods for analyzing these images, extracting statistical features from the anomalous regions, and applying supervised classifiers to label the anomalies into user-defined categories.« less

  17. Experimental characterization and constitutive modeling of the mechanical behavior of molybdenum under electromagnetically applied compression-shear ramp loading

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Alexander, C. Scott; Ding, Jow -Lian; Asay, James Russell

    2016-03-09

    Magnetically applied pressure-shear (MAPS) is a new experimental technique that provides a platform for direct measurement of material strength at extreme pressures. The technique employs an imposed quasi-static magnetic field and a pulsed power generator that produces an intense current on a planar driver panel, which in turn generates high amplitude magnetically induced longitudinal compression and transverse shear waves into a planar sample mounted on the drive panel. In order to apply sufficiently high shear traction to the test sample, a high strength material must be used for the drive panel. Molybdenum is a potential driver material for the MAPSmore » experiment because of its high yield strength and sufficient electrical conductivity. To properly interpret the results and gain useful information from the experiments, it is critical to have a good understanding and a predictive capability of the mechanical response of the driver. In this work, the inelastic behavior of molybdenum under uniaxial compression and biaxial compression-shear ramp loading conditions is experimentally characterized. It is observed that an imposed uniaxial magnetic field ramped to approximately 10 T through a period of approximately 2500 μs and held near the peak for about 250 μs before being tested appears to anneal the molybdenum panel. In order to provide a physical basis for model development, a general theoretical framework that incorporates electromagnetic loading and the coupling between the imposed field and the inelasticity of molybdenum was developed. Based on this framework, a multi-axial continuum model for molybdenum under electromagnetic loading is presented. The model reasonably captures all of the material characteristics displayed by the experimental data obtained from various experimental configurations. Additionally, data generated from shear loading provide invaluable information not only for validating but also for guiding the development of the material

  18. Enhancing metal-insulator-insulator-metal tunnel diodes via defect enhanced direct tunneling

    SciTech Connect (OSTI)

    Alimardani, Nasir; Conley, John F.

    2014-08-25

    Metal-insulator-insulator-metal tunnel diodes with dissimilar work function electrodes and nanolaminate Al{sub 2}O{sub 3}-Ta{sub 2}O{sub 5} bilayer tunnel barriers deposited by atomic layer deposition are investigated. This combination of high and low electron affinity insulators, each with different dominant conduction mechanisms (tunneling and Frenkel-Poole emission), results in improved low voltage asymmetry and non-linearity of current versus voltage behavior. These improvements are due to defect enhanced direct tunneling in which electrons transport across the Ta{sub 2}O{sub 5} via defect based conduction before tunneling directly through the Al{sub 2}O{sub 3}, effectively narrowing the tunnel barrier. Conduction through the device is dominated by tunneling, and operation is relatively insensitive to temperature.

  19. Defect-free ZnO nanorods for low temperature hydrogen sensor applications

    SciTech Connect (OSTI)

    Ranwa, Sapana; Kumar, Mahesh; Kulriya, Pawan K.; Sahu, Vikas Kumar; Kukreja, L. M.

    2014-11-24

    Uniformly distributed and defect-free vertically aligned ZnO nanorods (NRs) with high aspect ratio are deposited on Si by sputtering technique. X-ray diffraction along with transmission electron microscopy studies confirmed the single crystalline wurtzite structure of ZnO. Absence of wide band emission in photoluminescence spectra showed defect-free growth of ZnO NRs which was further conformed by diamagnetic behavior of the NRs. H{sub 2} sensing mechanism based on the change in physical dimension of channel is proposed to explain the fast response (?21.6?s) and recovery times (?27?s) of ZnO NRs/Si/ZnO NRs sensors. Proposed H{sub 2} sensor operates at low temperature (?70?C) unlike the existing high temperature (>150?C) sensors.

  20. Electrical conductivity, Seebeck coefficient, and defect structure of Ca-doped YCrO sub 3

    SciTech Connect (OSTI)

    Carini, G.F. II.

    1990-01-01

    High temperature electrical conductivity, Seebeck coefficient, and thermogravimetric measurements were made as a function of oxygen activity to investigate the electrical transport behavior and defect structure of Ca-doped YCrO{sub 3}. Defect models were developed to correlate the electrical conductivity and thermogravimetric data by relating the concentration of charge carriers to the acceptor dopant and oxygen vacancy concentrations. These relations were found to adequately explain the experimental data. Thermodynamic properties were calculated which were consistent with the model. Calculations of the carrier concentrations, the activation energies, and the mobilities were also performed. The analysis of the electrical conductivity, Seebeck and mobility data suggested that the conduction process in Ca-doped YCrO{sub 3} occurs via the small polaron hopping mechanism. Kroger-Vink diagrams showing the regions of stability with respect to oxygen activity and temperature were constructed.

  1. Defect evolution in single crystalline tungsten following low temperature and low dose neutron irradiation

    SciTech Connect (OSTI)

    Hu, Xunxiang; Koyanagi, Takaaki; Fukuda, Makoto; Katoh, Yutai; Wirth, Brian D; Snead, Lance Lewis

    2016-01-01

    The tungsten plasma-facing components of fusion reactors will experience an extreme environment including high temperature, intense particle fluxes of gas atoms, high-energy neutron irradiation, and significant cyclic stress loading. Irradiation-induced defect accumulation resulting in severe thermo-mechanical property degradation is expected. For this reason, and because of the lack of relevant fusion neutron sources, the fundamentals of tungsten radiation damage must be understood through coordinated mixed-spectrum fission reactor irradiation experiments and modeling. In this study, high-purity (110) single-crystal tungsten was examined by positron annihilation spectroscopy and transmission electron microscopy following low-temperature (~90 °C) and low-dose (0.006 and 0.03 dpa) mixed-spectrum neutron irradiation and subsequent isochronal annealing at 400, 500, 650, 800, 1000, 1150, and 1300 °C. The results provide insights into microstructural and defect evolution, thus identifying the mechanisms of different annealing behavior. Following 1 h annealing, ex situ characterization of vacancy defects using positron lifetime spectroscopy and coincidence Doppler broadening was performed. The vacancy cluster size distributions indicated intense vacancy clustering at 400 °C with significant damage recovery around 1000 °C. Coincidence Doppler broadening measurements confirm the trend of the vacancy defect evolution, and the S–W plots indicate that only a single type of vacancy cluster is present. Furthermore, transmission electron microscopy observations at selected annealing conditions provide supplemental information on dislocation loop populations and visible void formation. This microstructural information is consistent with the measured irradiation-induced hardening at each annealing stage. This provides insight into tungsten hardening and embrittlement due to irradiation-induced matrix defects.

  2. Defect evolution in single crystalline tungsten following low temperature and low dose neutron irradiation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hu, Xunxiang; Koyanagi, Takaaki; Fukuda, Makoto; Katoh, Yutai; Wirth, Brian D; Snead, Lance Lewis

    2016-01-01

    The tungsten plasma-facing components of fusion reactors will experience an extreme environment including high temperature, intense particle fluxes of gas atoms, high-energy neutron irradiation, and significant cyclic stress loading. Irradiation-induced defect accumulation resulting in severe thermo-mechanical property degradation is expected. For this reason, and because of the lack of relevant fusion neutron sources, the fundamentals of tungsten radiation damage must be understood through coordinated mixed-spectrum fission reactor irradiation experiments and modeling. In this study, high-purity (110) single-crystal tungsten was examined by positron annihilation spectroscopy and transmission electron microscopy following low-temperature (~90 °C) and low-dose (0.006 and 0.03 dpa) mixed-spectrum neutronmore » irradiation and subsequent isochronal annealing at 400, 500, 650, 800, 1000, 1150, and 1300 °C. The results provide insights into microstructural and defect evolution, thus identifying the mechanisms of different annealing behavior. Following 1 h annealing, ex situ characterization of vacancy defects using positron lifetime spectroscopy and coincidence Doppler broadening was performed. The vacancy cluster size distributions indicated intense vacancy clustering at 400 °C with significant damage recovery around 1000 °C. Coincidence Doppler broadening measurements confirm the trend of the vacancy defect evolution, and the S–W plots indicate that only a single type of vacancy cluster is present. Furthermore, transmission electron microscopy observations at selected annealing conditions provide supplemental information on dislocation loop populations and visible void formation. This microstructural information is consistent with the measured irradiation-induced hardening at each annealing stage. This provides insight into tungsten hardening and embrittlement due to irradiation-induced matrix defects.« less

  3. Structural phase transitions and topological defects in ion Coulomb crystals

    SciTech Connect (OSTI)

    Partner, Heather L.; Nigmatullin, Ramil; Burgermeister, Tobias; Keller, Jonas; Pyka, Karsten; Plenio, Martin B.; Retzker, Alex; Zurek, Wojciech Hubert; del Campo, Adolfo; Mehlstaubler, Tanja E.

    2014-11-19

    We use laser-cooled ion Coulomb crystals in the well-controlled environment of a harmonic radiofrequency ion trap to investigate phase transitions and defect formation. Topological defects in ion Coulomb crystals (kinks) have been recently proposed for studies of nonlinear physics with solitons and as carriers of quantum information. Defects form when a symmetry breaking phase transition is crossed non-adiabatically. For a second order phase transition, the Kibble-Zurek mechanism predicts that the formation of these defects follows a power law scaling in the rate of the transition. We demonstrate a scaling of defect density and describe kink dynamics and stability. We further discuss the implementation of mass defects and electric fields as first steps toward controlled kink preparation and manipulation.

  4. Defect mapping system

    DOE Patents [OSTI]

    Sopori, Bhushan L.

    1995-01-01

    Apparatus for detecting and mapping defects in the surfaces of polycrystalline materials in a manner that distinguishes dislocation pits from grain boundaries includes a laser for illuminating a wide spot on the surface of the material, a light integrating sphere with apertures for capturing light scattered by etched dislocation pits in an intermediate range away from specular reflection while allowing light scattered by etched grain boundaries in a near range from specular reflection to pass through, and optical detection devices for detecting and measuring intensities of the respective intermediate scattered light and near specular scattered light. A center blocking aperture or filter can be used to screen out specular reflected light, which would be reflected by nondefect portions of the polycrystalline material surface. An X-Y translation stage for mounting the polycrystalline material and signal processing and computer equipment accommodate rastor mapping, recording, and displaying of respective dislocation and grain boundary defect densities. A special etch procedure is included, which prepares the polycrystalline material surface to produce distinguishable intermediate and near specular light scattering in patterns that have statistical relevance to the dislocation and grain boundary defect densities.

  5. Defect mapping system

    DOE Patents [OSTI]

    Sopori, B.L.

    1995-04-11

    Apparatus for detecting and mapping defects in the surfaces of polycrystalline materials in a manner that distinguishes dislocation pits from grain boundaries includes a laser for illuminating a wide spot on the surface of the material, a light integrating sphere with apertures for capturing light scattered by etched dislocation pits in an intermediate range away from specular reflection while allowing light scattered by etched grain boundaries in a near range from specular reflection to pass through, and optical detection devices for detecting and measuring intensities of the respective intermediate scattered light and near specular scattered light. A center blocking aperture or filter can be used to screen out specular reflected light, which would be reflected by nondefect portions of the polycrystalline material surface. An X-Y translation stage for mounting the polycrystalline material and signal processing and computer equipment accommodate rastor mapping, recording, and displaying of respective dislocation and grain boundary defect densities. A special etch procedure is included, which prepares the polycrystalline material surface to produce distinguishable intermediate and near specular light scattering in patterns that have statistical relevance to the dislocation and grain boundary defect densities. 20 figures.

  6. Long-Term Mechanical Behavior of Yucca Mountain Tuff and its Variability, Final Technical Report for Task ORD-FY04-021

    SciTech Connect (OSTI)

    Daemen, Jaak J.K.; Ma, Lumin; Zhao, Guohua

    2006-03-20

    The study of the long term mechanical behavior of Yucca Mountain tuffs is important for several reasons. Long term stability of excavations will affect accessibility (e.g. for inspection purposes), and retrievability. Long term instabilities may induce loading of drip shields and/or emplaced waste, thus affecting drip shield and/or waste package corrosion. Failure of excavations will affect airflow, may affect water flow, and may affect temperature distributions. The long term mechanical behavior of rocks remains an elusive topic, loaded with uncertainties. A variety of approaches have been used to improve the understanding of this complex subject, but it is doubtful that it has reached a stage where firm predictions can be considered feasible. The long term mechanical behavior of "soft" rocks, especially evaporites, and in particular rock salt, has been the subject of numerous investigations (e.g. Cristescu and Hunsche, 1998, Cristescu et al, 2002), and basic approaches towards engineering taking into account the long term behavior of such materials have long been well established (e.g. Dreyer, 1972, 1982). The same is certainly not true of "hard" rocks. While it long has been recognized that the long term strength of ?hard? rocks almost certainly is significantly less than that measured during "short", i.e. standard (ASTM D 2938), ISRM suggested (Bieniawski et al, 1978) and conventionally used test procedures (e.g. Bieniawski, 1970, Wawersik, 1972, Hoek and Brown, 1980, p. 150), what limited approaches have been taken to develop strategies toward determining the long term mechanical behavior of "hard" rock remain in the early research and investigation stage, at best. One early model developed specifically for time dependent analysis of underground "hard" rock structures is the phenomenological model by Kaiser and Morgenstern (1981). Brady and Brown (1985, p. 93) state that over a wide range of strain rates, from 10^-8 to 10^2/s the difference in strength is only

  7. Mechanical behavior of AISI 304SS determined by miniature test methods after neutron irradiation to 28 dpa

    SciTech Connect (OSTI)

    Ellen M. Rabenberg; Brian J. Jaques; Bulent H. Sencer; Frank A. Garner; Paula D. Freyer; Taira Okita; Darryl P. Butt

    2014-05-01

    The mechanical properties of AISI 304 stainless steel irradiated for over a decade in the Experimental Breeder Reactor (EBR-II) were measured using miniature mechanical testing methods. The shear punch method was used to evaluate the shear strengths of the neutron-irradiated steel and a correlation factor was empirically determined to predict its tensile strength. The strength of the stainless steel slightly decreased with increasing irradiation temperature, and significantly increased with increasing dose until it saturated above approximately 5 dpa. Ferromagnetic measurements were used to observe and deduce the effects of the stress-induced austenite to martensite transformation as a result of shear punch testing.

  8. Coupling of Mechanical Behavior of Lithium Ion Cells to Electrochemical-Thermal Models for Battery Crush; NREL (National Renewable Energy Laboratory)

    SciTech Connect (OSTI)

    Pesaran, Ahmad; Zhang, Chao; Santhanagopalan, Shriram; Sahraei, Elham; Wierzbiki, Tom

    2015-06-15

    Propagation of failure in lithium-ion batteries during field events or under abuse is a strong function of the mechanical response of the different components in the battery. Whereas thermal and electrochemical models that capture the abuse response of batteries have been developed and matured over the years, the interaction between the mechanical behavior and the thermal response of these batteries is not very well understood. With support from the Department of Energy, NREL has made progress in coupling mechanical, thermal, and electrochemical lithium-ion models to predict the initiation and propagation of short circuits under external crush in a cell. The challenge with a cell crush simulation is to estimate the magnitude and location of the short. To address this, the model includes an explicit representation of each individual component such as the active material, current collector, separator, etc., and predicts their mechanical deformation under different crush scenarios. Initial results show reasonable agreement with experiments. In this presentation, the versatility of the approach for use with different design factors, cell formats and chemistries is explored using examples.

  9. Review on the effects of hydrogen at extreme pressures and temperatures on the mechanical behavior of polymers.

    SciTech Connect (OSTI)

    Hecht, Ethan S.

    2013-03-01

    The effects of hydrogen on the mechanics (e.g. strength, ductility, and fatigue resistance) of polymer materials are outlined in this report. There are a small number of studies reported in the literature on this topic, and even fewer at the extreme temperatures to which hydrogen service materials will be exposed. Several studies found little evidence that hydrogen affects the static tensile properties, long term creep, or ductile fracture of high density polyethylene or polyamide. However, there has been a report that a recoverable drop in the modulus of high density polyethylene is observable under high hydrogen pressure. A research need exists on the mechanical effects of hydrogen on the wide range of polymers used or considered for use in the hydrogen economy, due to the lack of data in the literature.

  10. Application of the multi-mechanism deformation model for three-dimensional simulations of salt : behavior for the strategic petroleum reserve.

    SciTech Connect (OSTI)

    Ehgartner, Brian L.; Sobolik, Steven Ronald; Bean, James E.

    2010-07-01

    The U.S. Strategic Petroleum Reserve stores crude oil in 62 solution-mined caverns in salt domes located in Texas and Louisiana. Historically, three-dimensional geomechanical simulations of the behavior of the caverns have been performed using a power law creep model. Using this method, and calibrating the creep coefficient to field data such as cavern closure and surface subsidence, has produced varying degrees of agreement with observed phenomena. However, as new salt dome locations are considered for oil storage facilities, pre-construction geomechanical analyses are required that need site-specific parameters developed from laboratory data obtained from core samples. The multi-mechanism deformation (M-D) model is a rigorous mathematical description of both transient and steady-state creep phenomena. Recent enhancements to the numerical integration algorithm within the model have created a more numerically stable implementation of the M-D model. This report presents computational analyses to compare the results of predictions of the geomechanical behavior at the West Hackberry SPR site using both models. The recently-published results using the power law creep model produced excellent agreement with an extensive set of field data. The M-D model results show similar agreement using parameters developed directly from laboratory data. It is also used to predict the behavior for the construction and operation of oil storage caverns at a new site, to identify potential problems before a final cavern layout is designed.

  11. Self-regulation of charged defect compensation and formation energy pinning in semiconductors

    SciTech Connect (OSTI)

    Yang, Ji -Hui; Yin, Wan -Jian; Park, Ji -Sang; Wei, Su -Huai

    2015-11-20

    Current theoretical analyses of defect properties without solving the detailed balance equations often estimate Fermi-level pinning position by omitting free carriers and assume defect concentrations can be always tuned by atomic chemical potentials. This could be misleading in some circumstance. Here we clarify that: (1) Because the Fermi-level pinning is determined not only by defect states but also by free carriers from band-edge states, band-edge states should be treated explicitly in the same footing as the defect states in practice; (2) defect formation energy, thus defect density, could be pinned and independent on atomic chemical potentials due to the entanglement of atomic chemical potentials and Fermi energy, in contrast to the usual expectation that defect formation energy can always be tuned by varying the atomic chemical potentials; and (3) the charged defect compensation behavior, i.e., most of donors are compensated by acceptors or vice versa, is self-regulated when defect formation energies are pinned. The last two phenomena are more dominant in wide-gap semiconductors or when the defect formation energies are small. Using NaCl and CH3NH3PbI3 as examples, we illustrate these unexpected behaviors. Furthermore, our analysis thus provides new insights that enrich the understanding of the defect physics in semiconductors and insulators.

  12. Self-regulation of charged defect compensation and formation energy pinning in semiconductors

    SciTech Connect (OSTI)

    Yang, Ji -Hui; Yin, Wan -Jian; Park, Ji -Sang; Wei, Su -Huai

    2015-11-20

    Current theoretical analyses of defect properties without solving the detailed balance equations often estimate Fermi-level pinning position by omitting free carriers and assume defect concentrations can be always tuned by atomic chemical potentials. This could be misleading in some circumstance. Here we clarify that: (1) Because the Fermi-level pinning is determined not only by defect states but also by free carriers from band-edge states, band-edge states should be treated explicitly in the same footing as the defect states in practice; (2) defect formation energy, thus defect density, could be pinned and independent on atomic chemical potentials due to the entanglement of atomic chemical potentials and Fermi energy, in contrast to the usual expectation that defect formation energy can always be tuned by varying the atomic chemical potentials; and (3) the charged defect compensation behavior, i.e., most of donors are compensated by acceptors or vice versa, is self-regulated when defect formation energies are pinned. The last two phenomena are more dominant in wide-gap semiconductors or when the defect formation energies are small. Using NaCl and CH3NH3PbI3 as examples, we illustrate these unexpected behaviors. Our analysis thus provides new insights that enrich the understanding of the defect physics in semiconductors and insulators.

  13. Self-regulation of charged defect compensation and formation energy pinning in semiconductors

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yang, Ji -Hui; Yin, Wan -Jian; Park, Ji -Sang; Wei, Su -Huai

    2015-11-20

    Current theoretical analyses of defect properties without solving the detailed balance equations often estimate Fermi-level pinning position by omitting free carriers and assume defect concentrations can be always tuned by atomic chemical potentials. This could be misleading in some circumstance. Here we clarify that: (1) Because the Fermi-level pinning is determined not only by defect states but also by free carriers from band-edge states, band-edge states should be treated explicitly in the same footing as the defect states in practice; (2) defect formation energy, thus defect density, could be pinned and independent on atomic chemical potentials due to the entanglementmore » of atomic chemical potentials and Fermi energy, in contrast to the usual expectation that defect formation energy can always be tuned by varying the atomic chemical potentials; and (3) the charged defect compensation behavior, i.e., most of donors are compensated by acceptors or vice versa, is self-regulated when defect formation energies are pinned. The last two phenomena are more dominant in wide-gap semiconductors or when the defect formation energies are small. Using NaCl and CH3NH3PbI3 as examples, we illustrate these unexpected behaviors. Our analysis thus provides new insights that enrich the understanding of the defect physics in semiconductors and insulators.« less

  14. Self-regulation of charged defect compensation and formation energy pinning in semiconductors

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yang, Ji -Hui; Yin, Wan -Jian; Park, Ji -Sang; Wei, Su -Huai

    2015-11-20

    Current theoretical analyses of defect properties without solving the detailed balance equations often estimate Fermi-level pinning position by omitting free carriers and assume defect concentrations can be always tuned by atomic chemical potentials. This could be misleading in some circumstance. Here we clarify that: (1) Because the Fermi-level pinning is determined not only by defect states but also by free carriers from band-edge states, band-edge states should be treated explicitly in the same footing as the defect states in practice; (2) defect formation energy, thus defect density, could be pinned and independent on atomic chemical potentials due to the entanglementmoreof atomic chemical potentials and Fermi energy, in contrast to the usual expectation that defect formation energy can always be tuned by varying the atomic chemical potentials; and (3) the charged defect compensation behavior, i.e., most of donors are compensated by acceptors or vice versa, is self-regulated when defect formation energies are pinned. The last two phenomena are more dominant in wide-gap semiconductors or when the defect formation energies are small. Using NaCl and CH3NH3PbI3 as examples, we illustrate these unexpected behaviors. Furthermore, our analysis thus provides new insights that enrich the understanding of the defect physics in semiconductors and insulators.less

  15. Comparative study of structure formation and mechanical behavior of age-hardened Ti–Nb–Zr and Ti–Nb–Ta shape memory alloys

    SciTech Connect (OSTI)

    Inaekyan, K.; Brailovski, V.; Prokoshkin, S.; Pushin, V.; Dubinskiy, S.; Sheremetyev, V.

    2015-05-15

    This work sets out to study the peculiar effects of aging treatment on the structure and mechanical behavior of cold-rolled and annealed biomedical Ti–21.8Nb–6.0Zr (TNZ) and Ti–19.7Nb–5.8Ta (TNT) (at.%) shape memory alloys by means of transmission electron microscopy, X-ray diffractometry, functional fatigue and thermomechanical testing techniques. Dissimilar effects of aging treatment on the mechanical behavior of Zr- and Ta-doped alloys are explained by the differences in the ω-phase formation rate, precipitate size, fraction and distribution, and by their effect on the alloys' critical stresses and transformation temperatures. Even short-time aging of the TNZ alloy leads to its drastic embrittlement caused by “overaging”. On the contrary, during aging of the TNT alloy, formation of finely dispersed ω-phase precipitates is gradual and controllable, which makes it possible to finely adjust the TNT alloy functional properties using precipitation hardening mechanisms. To create in this alloy nanosubgrained dislocation substructure containing highly-dispersed coherent nanosized ω-phase precipitates, the following optimum thermomechanical treatment is recommended: cold rolling (true strain 0.37), followed by post-deformation annealing (600 °C, 15–30 min) and age-hardening (300 °C, 30 min) thermal treatments. It is shown that in TNT alloy, pre-transition diffraction effects (diffuse reflections) can “mask” the β-phase substructure and morphology of secondary phases. - Highlights: • TNZ alloy is characterized by much higher ω-phase precipitation rate than TNT alloy. • Difference in precipitation rates is linked to the difference in Zr and Ta diffusion mobility. • Aging of nanosubgrained TNZ alloy worsens its properties irrespective of the aging time. • Aging time of nanosubgrained TNT alloy can be optimized to improve its properties.

  16. Effect of moderate magnetic annealing on the microstructure, quasi-static and viscoelastic mechanical behavior of a structural epoxy

    SciTech Connect (OSTI)

    Tehrani, Mehran; Al-Haik, Marwan; Garmestani, Hamid; Li, Dongsheng

    2012-01-01

    In this study the effect of moderate magnetic fields on the microstructure of a structural epoxy system was investigated. The changes in the microstructure have been quantitatively investigated using wide angle x-ray diffraction (WAXD) and pole figure analysis. The mechanical properties (modulus, hardness and strain rate sensitivity parameter) of the epoxy system annealed in the magnetic field were probed with the aid of instrumented nanoindentation and the results are compared to the reference epoxy sample. To further examine the creep response of the magnetically annealed and reference samples, short 45 min duration creep tests were carried out. An equivalent to the macro scale creep compliance was calculated using the aforementioned nano-creep data. Using the continuous complex compliance (CCC) analysis, the phase lag angle, tan (?), between the displacement and applied force in an oscillatory nanoindentation test was measured for both neat and magnetically annealed systems through which the effect of low magnetic fields on the viscoelastic properties of the epoxy was invoked. The comparison of the creep strain rate sensitivity parameter , A/d(0), from short term(80 ), creep tests and the creep compliance J(t) from the long term(2700 s) creep tests with the tan(?) suggests that former parameter is a more useful comparative creep parameter than the creep compliance. The results of this investigation reveal that under low magnetic fields both the quasi-static and viscoelastic mechanical properties of the epoxy have been improved.

  17. On the correlation between microscopic structural heterogeneity and embrittlement behavior in metallic glasses

    SciTech Connect (OSTI)

    Li, Weidong; Gao, Yanfei; Bei, Hongbin

    2015-10-05

    To establish a relationship between microstructure and mechanical properties, we systematically annealed a Zr-based bulk metallic glass (BMG) at 100 ~ 300°C and measured their mechanical and thermal properties. The as-cast BMG exhibits some ductility, while the increase of annealing temperature and time leads to the transition to a brittle behavior that can reach nearly-zero fracture energy. The differential scanning calorimetry did not find any significant changes in crystallization temperature and enthalpy, indicating that the materials still remained fully amorphous. Elastic constants measured by ultrasonic technique vary only slightly with respect to annealing temperature and time, which does obey the empirical relationship between Poisson’s ratio and fracture behavior. Nanoindentation pop-in tests were conducted, from which the pop-in strength mapping provides a “mechanical probe” of the microscopic structural heterogeneities in these metallic glasses. Based on stochastically statistic defect model, we found that the defect density decreases with increasing annealing temperature and annealing time and is exponentially related to the fracture energy. A ductile-versus-brittle behavior (DBB) model based on the structural heterogeneity is developed to identify the physical origins of the embrittlement behavior through the interactions between these defects and crack tip.

  18. On the correlation between microscopic structural heterogeneity and embrittlement behavior in metallic glasses

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Li, Weidong; Gao, Yanfei; Bei, Hongbin

    2015-10-05

    To establish a relationship between microstructure and mechanical properties, we systematically annealed a Zr-based bulk metallic glass (BMG) at 100 ~ 300°C and measured their mechanical and thermal properties. The as-cast BMG exhibits some ductility, while the increase of annealing temperature and time leads to the transition to a brittle behavior that can reach nearly-zero fracture energy. The differential scanning calorimetry did not find any significant changes in crystallization temperature and enthalpy, indicating that the materials still remained fully amorphous. Elastic constants measured by ultrasonic technique vary only slightly with respect to annealing temperature and time, which does obey themore » empirical relationship between Poisson’s ratio and fracture behavior. Nanoindentation pop-in tests were conducted, from which the pop-in strength mapping provides a “mechanical probe” of the microscopic structural heterogeneities in these metallic glasses. Based on stochastically statistic defect model, we found that the defect density decreases with increasing annealing temperature and annealing time and is exponentially related to the fracture energy. A ductile-versus-brittle behavior (DBB) model based on the structural heterogeneity is developed to identify the physical origins of the embrittlement behavior through the interactions between these defects and crack tip.« less

  19. A new casting defect healing technology

    SciTech Connect (OSTI)

    Hodge, E.S.; Reddoch, T.W.; Viswanathan, S.

    1997-01-01

    A new technology is presented for healing of defects in 356 aluminium alloys that provides economic upgrading of these cast alloys. It uses pneumatic isostatic forging (PIF) to produce high quality Al alloys products with enhanced mechanical properties uniform throughout the part, allowing higher design allowables and increased usage of Al alloy castings. The fundamental mechanism underlying PIF is a single mode plastic deformation process that uses isostatic application of pressures for 10-30 seconds at temperature. The process can be integrated in-line with other production operations, i.e., using the latent heat from the previous casting step. Results of applying the PIF process indicate lower cost and significant improvement in mechanical properties that rival and often exceed corresponding properties of other technologies like hot isostatic pressing and related processes. This process offers many advantages that are described in this paper in addition to presenting case histories of property enhancement by PIF and the mechanism responsible for property enhancement.

  20. All-acrylic multigraft copolymers: Effect of side chain molecular weight and volume fraction on mechanical behavior

    SciTech Connect (OSTI)

    Goodwin, Andrew; Wang, Weiyu; Kang, Nam -Goo; Wang, Yangyang; Hong, Kunlun; Mays, Jimmy

    2015-08-21

    We present in this paper the synthesis of poly(n-butyl acrylate)-g-poly(methyl methacrylate) (PnBA-g-PMMA) multigraft copolymers via a grafting-through (macromonomer) approach. The synthesis was performed using two controlled polymerization techniques. The PMMA macromonomer was obtained by high-vacuum anionic polymerization followed by the copolymerization of n-butyl acrylate and PMMA macromonomer using reversible addition–fragmentation chain transfer (RAFT) polymerization to yield the desired all-acrylic multigraft structures. The PnBA-g-PMMA multigraft structures exhibit randomly spaced branch points with various PMMA contents, ranging from 15 to 40 vol %, allowing an investigation into how physical properties vary with differences in the number of branch points and molecular weight of grafted side chains. The determination of molecular weight and polydispersity indices of both the PMMA macromonomer and the graft copolymers was carried out using size exclusion chromatography with triple detection, and the structural characteristics of both the macromonomer and PnBA-g-PMMA graft materials were characterized by 1H and 13C NMR. Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry was employed for monitoring the macromonomer synthesis. Thermal characteristics of the materials were analyzed using differential scanning calorimetry and thermogravimetric analysis. The mechanical performance of the graft materials was characterized by rheology and dynamic mechanical analysis, revealing that samples with PMMA content of 25–40 vol % exhibit superior elastomeric properties as compared to materials containing short PMMA side chains or <25 vol % PMMA. In conclusion, atomic force microscopy showed a varying degree of microphase separation between the glassy and rubbery components that is strongly dependent on PMMA side chain molecular weight.

  1. All-acrylic multigraft copolymers: Effect of side chain molecular weight and volume fraction on mechanical behavior

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Goodwin, Andrew; Wang, Weiyu; Kang, Nam -Goo; Wang, Yangyang; Hong, Kunlun; Mays, Jimmy

    2015-08-21

    We present in this paper the synthesis of poly(n-butyl acrylate)-g-poly(methyl methacrylate) (PnBA-g-PMMA) multigraft copolymers via a grafting-through (macromonomer) approach. The synthesis was performed using two controlled polymerization techniques. The PMMA macromonomer was obtained by high-vacuum anionic polymerization followed by the copolymerization of n-butyl acrylate and PMMA macromonomer using reversible addition–fragmentation chain transfer (RAFT) polymerization to yield the desired all-acrylic multigraft structures. The PnBA-g-PMMA multigraft structures exhibit randomly spaced branch points with various PMMA contents, ranging from 15 to 40 vol %, allowing an investigation into how physical properties vary with differences in the number of branch points and molecular weightmore » of grafted side chains. The determination of molecular weight and polydispersity indices of both the PMMA macromonomer and the graft copolymers was carried out using size exclusion chromatography with triple detection, and the structural characteristics of both the macromonomer and PnBA-g-PMMA graft materials were characterized by 1H and 13C NMR. Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry was employed for monitoring the macromonomer synthesis. Thermal characteristics of the materials were analyzed using differential scanning calorimetry and thermogravimetric analysis. The mechanical performance of the graft materials was characterized by rheology and dynamic mechanical analysis, revealing that samples with PMMA content of 25–40 vol % exhibit superior elastomeric properties as compared to materials containing short PMMA side chains or <25 vol % PMMA. In conclusion, atomic force microscopy showed a varying degree of microphase separation between the glassy and rubbery components that is strongly dependent on PMMA side chain molecular weight.« less

  2. Intrinsic mechanical behavior of femoral cortical bone in young, osteoporotic and bisphosphonate-treated individuals in low- and high energy fracture conditions

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zimmermann, Elizabeth A.; Schaible, Eric; Gludovatz, Bernd; Schmidt, Felix N.; Riedel, Christoph; Krause, Matthias; Vettorazzi, Eik; Acevedo, Claire; Hahn, Michael; Püschel, Klaus; et al

    2016-02-16

    Bisphosphonates are a common treatment to reduce osteoporotic fractures. This treatment induces osseous structural and compositional changes accompanied by positive effects on osteoblasts and osteocytes. Here, we test the hypothesis that restored osseous cell behavior, which resembles characteristics of younger, healthy cortical bone, leads to improved bone quality. Microarchitecture and mechanical properties of young, treatment-naïve osteoporosis, and bisphosphonate-treated cases were investigated in femoral cortices. Tissue strength was measured using three-point bending. Collagen fibril-level deformation was assessed in non-traumatic and traumatic fracture states using synchrotron small-angle x-ray scattering (SAXS) at low and high strain rates. The lower modulus, strength and fibrilmore » deformation measured at low strain rates reflects susceptibility for osteoporotic low-energy fragility fractures. Independent of age, disease and treatment status, SAXS revealed reduced fibril plasticity at high strain rates, characteristic of traumatic fracture. We find the significantly reduced mechanical integrity in osteoporosis may originate from porosity and alterations to the intra/extrafibrillar structure, while the fibril deformation under treatment indicates improved nano-scale characteristics. In conclusion, losses in strength and fibril deformation at low strain rates correlate with the occurrence of fragility fractures in osteoporosis, while improvements in structural and mechanical properties following bisphosphonate treatment may foster resistance to fracture during physiological strain rates.« less

  3. Investigation of fracture mechanical behavior of nodular cast iron and welded joints with parent-material-like weld metal

    SciTech Connect (OSTI)

    Baer, W.; Pusch, G.

    1995-12-31

    The focus of the investigations was the determination of fracture mechanical characteristics and crack resistance curves of the J-Integral and CTOD concept by application of the partial unloading compliance technique and D.C. potential drop technique (four point bend) under static load. The results show a close correlation between crack initiation values as well as crack resistance curves and graphite morphology parameters determined by means of quantitative microstructural analysis where the influence of the matrix (distance of graphite particles) dominates the crack resistance and fracture performance of ferritic nodular cast iron under consideration of the notch effect of graphite particles. SEM in-situ tensile tests showed that due to a beneficial shielding effect of the strength overmatching parent-material-like weld metal (mis-match ratio M = 1.21), cracks positioned directly in the plane of the fusion line did not deviate into the weld metal in spite of its lower toughness compared to that of the parent material. They also showed an unsymmetrical formation of damage in front of the crack tip.

  4. FRAPCON-2: A Computer Code for the Calculation of Steady State Thermal-Mechanical Behavior of Oxide Fuel Rods

    SciTech Connect (OSTI)

    Berna, G. A; Bohn, M. P.; Rausch, W. N.; Williford, R. E.; Lanning, D. D.

    1981-01-01

    FRAPCON-2 is a FORTRAN IV computer code that calculates the steady state response of light Mater reactor fuel rods during long-term burnup. The code calculates the temperature, pressure, deformation, and tai lure histories of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include (a) heat conduction through the fuel and cladding, (b) cladding elastic and plastic deformation, (c) fuel-cladding mechanical interaction, (d) fission gas release, (e} fuel rod internal gas pressure, (f) heat transfer between fuel and cladding, (g) cladding oxidation, and (h) heat transfer from cladding to coolant. The code contains necessary material properties, water properties, and heat transfer correlations. FRAPCON-2 is programmed for use on the CDC Cyber 175 and 176 computers. The FRAPCON-2 code Is designed to generate initial conditions for transient fuel rod analysis by either the FRAP-T6 computer code or the thermal-hydraulic code, RELAP4/MOD7 Version 2.

  5. Fuel Rod Thermal-Mechanical Behavior, Versions FRAPCON2, FRAPCON2/VIM4 & FRAPCON2/VIM5.

    Energy Science and Technology Software Center (OSTI)

    2002-03-25

    Version 02 This package contains three versions of the FRAPCON series of fuel rod response modeling programs. The FRAPCON series, like the earlier FRAP-S and GAPCON-THERMAL codes, is designed to predict the steady-state long-term burnup response of oxide fuel rods in light water reactors (LWRs). In addition, these codes generate the initial conditions for transient fuel rod analysis by the FRAP-T6 or thermal-hydraulic analysis programs. The FRAPCON2 programs calculate the temperature, pressure, deformation, and failuremore » histories of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include heat conduction through the fuel and cladding, cladding elastic and plastic deformation, fuel-cladding mechanical interaction, fission gas release, fuel rod internal gas pressure, heat transfer between fuel and cladding, cladding oxidation, and heat transfer from cladding to coolant. Material properties, water properties, and heat transfer correlation data are included. The FRAPCON series replaced the FRAP-S1, FRAP-S2, and FRAP-S3 series of programs. The fuel temperature computation used in the FRAPCON series was taken from the GAPCON-THERMAL2 code (NESC 618). FRAPCON2/VIM4 generates the initial conditions for transient fuel rod analysis used either by FRAP-T6 (NESC 658) or RELAP4/MOD7 (NESC 369).« less

  6. Flow in porous media, phase behavior and ultralow interfacial tensions: mechanisms of enhanced petroleum recovery. Final technical report

    SciTech Connect (OSTI)

    Davis, H.T.; Scriven, L.E.

    1982-01-01

    A major program of university research, longer-ranged and more fundamental in approach than industrial research, into basic mechanisms of enhancing petroleum recovery and into underlying physics, chemistry, geology, applied mathematics, computation, and engineering science has been built at Minnesota. The 1982 outputs of the interdisciplinary team of investigators were again ideas, instruments, techniques, data, understanding and skilled people: forty-one scientific and engineering papers in leading journals; four pioneering Ph.D. theses; numerous presentations to scientific and technical meetings, and to industrial, governmental and university laboratories; vigorous program of research visits to and from Minnesota; and two outstanding Ph.D.'s to research positions in the petroleum industry, one to a university faculty position, one to research leadership in a governmental institute. This report summarizes the 1982 papers and theses and features sixteen major accomplishments of the program during that year. Abstracts of all forty-five publications in the permanent literature are appended. Further details of information transfer and personnel exchange with industrial, governmental and university laboratories appear in 1982 Quarterly Reports available from the Department of Energy and are not reproduced here. The Minnesota program continues in 1983, notwithstanding earlier uncertainty about the DOE funding which finally materialized and is the bulk of support. Supplemental grants-in-aid from nine companies in the petroleum industry are important, as are the limited University and departmental contributions. 839 references, 172 figures, 29 tables.

  7. Effect of water on mechanical properties and stress corrosion behavior of alloy 600, alloy 690, EN82H welds, and EN52 welds

    SciTech Connect (OSTI)

    Brown, C.M.; Mills, W.J.

    1999-02-01

    The fracture toughness and tensile properties of alloy 600 (UNS N06600), alloy 690 (UNS N06690), and their welds (EN82H [UNS N06082] and EN52 [UNS N06052]) were characterized in 54 C and 338 C water with an elevated hydrogen content. Results were compared with air data to evaluate the effect of low- and high-temperature water on the mechanical properties. In addition, the stress corrosion cracking (SCC) behavior of EN82H and EN52 welds was evaluated in 360 C water. Elastic-plastic (J{sub IC}) fracture toughness testing revealed that the fracture resistance of all test materials was exceptionally high in 54 C and 338 C air and 338 C water, demonstrating that fracture properties essentially were unaffected by the high-temperature water environment. In 54 C water, however, J{sub IC} values for EN82H and EN52 welds were reduced by an order of magnitude, and alloy 690 showed a fivefold decrease in J{sub IC}. Scanning electron fractography revealed that the degraded fracture properties were associated with a fracture mechanism transition from ductile dimple rupture to intergranular cracking. The latter was associated with hydrogen-induced cracking mechanism. The fracture toughness for alloy 600 remained high in 54 C water, and microvoid coalescence was the operative mechanism in low-temperature air and water. Tensile properties for all test materials essentially were unaffected by the water environment, except for the total elongation for EN82H welds, which was reduced significantly in 54 C water. Constant-load testing of precracked weld specimens in 360 C water resulted in extensive intergranular SCC in EN82H welds, whereas no SCC occurred in EN52 welds under comparable test conditions.

  8. UNIVERSALITY OF PHASE TRANSITION DYNAMICS: TOPOLOGICAL DEFECTS FROM SYMMETRY BREAKING

    SciTech Connect (OSTI)

    Zurek, Wojciech H.; Del Campo, Adolfo

    2014-02-13

    In the course of a non-equilibrium continuous phase transition, the dynamics ceases to be adiabatic in the vicinity of the critical point as a result of the critical slowing down (the divergence of the relaxation time in the neighborhood of the critical point). This enforces a local choice of the broken symmetry and can lead to the formation of topological defects. The Kibble-Zurek mechanism (KZM) was developed to describe the associated nonequilibrium dynamics and to estimate the density of defects as a function of the quench rate through the transition. During recent years, several new experiments investigating formation of defects in phase transitions induced by a quench both in classical and quantum mechanical systems were carried out. At the same time, some established results were called into question. We review and analyze the Kibble-Zurek mechanism focusing in particular on this surge of activity, and suggest possible directions for further progress.

  9. 2010 Defects in Semiconductors GRC

    SciTech Connect (OSTI)

    Shengbai Zhang

    2011-01-06

    Continuing its tradition of excellence, this Gordon Conference will focus on research at the forefront of the field of defects in semiconductors. The conference will have a strong emphasis on the control of defects during growth and processing, as well as an emphasis on the development of novel defect detection methods and first-principles defect theories. Electronic, magnetic, and optical properties of bulk, thin film, and nanoscale semiconductors will be discussed in detail. In contrast to many conferences, which tend to focus on specific semiconductors, this conference will deal with point and extended defects in a broad range of electronic materials. This approach has proved to be extremely fruitful for advancing fundamental understanding in emerging materials such as wide-band-gap semiconductors, oxides, sp{sup 2} carbon based-materials, and photovoltaic/solar cell materials, and in understanding important defect phenomena such as doping bottleneck in nanostructures and the diffusion of defects and impurities. The program consists of about twenty invited talks and a number of contributed poster sessions. The emphasis should be on work which has yet to be published. The large amount of discussion time provides an ideal forum for dealing with topics that are new and/or controversial.

  10. Influence of the micro- and nanoscale local mechanical properties of the interfacial transition zone on impact behavior of concrete made with different aggregates

    SciTech Connect (OSTI)

    Erdem, Savas Dawson, Andrew Robert; Thom, Nicholas Howard

    2012-02-15

    The influence of the microscale local mechanical properties of the interfacial transition zone (ITZ) on macro-level mechanical response and impact behavior is studied for concretes made with copper slag and gravel aggregates. 3D nanotech vertical scanning interferometry, scanning electron microscopy coupled with energy dispersive X-ray micro-analysis, digital image analysis, and 3D X-ray computed tomography were used to characterize the microstructures and the ITZs. It was deduced that a stronger and denser ITZ in the copper slag specimen would reduce its vulnerability to stiffness loss and contribute to its elastic and more ductile response under impact loading. The analysis also indicated that a significant degeneration in the pore structure of the gravel specimen associated with a relatively weaker and non-homogeneous ITZ occurred under impact. Finally, it was also concluded that increased roughness of ITZ may contribute to the load-carrying capacity of concrete under impact by improving contact point interactions and energy dissipation.

  11. Transformation behavior and shape memory characteristics of thermo-mechanically treated Ti(45?x)Ni5CuxV (at%) alloys

    SciTech Connect (OSTI)

    Jang, Jae-young; Chun, Su-jin; Choi, Eunsoo; Liu, Yinong; Yang, Hong; Nam, Tae-hyun

    2012-10-15

    Transformation behavior, shape memory characteristics and superelasticity of thermo-mechanically treated Ti(45?x)Ni5CuxV (at%) (x = 0.52.0) alloys were investigated by means of differential scanning calorimetry, transmission electron microscopy, X-ray diffractions, thermal cycling tests under constant load and tensile tests. The B2B19? transformation occurred when V content was 0.5 at%, above which the B2B19B19? transformation occurred. The B2B19 transformation was not separated clearly from the B19B19? transformation. Thermo-mechanically treated Ti(45?x)Ni5CuxV alloys showed perfect shape memory effect and transformation hysteresis(?T) of Ti43.5Ni5.0Cu1.5V and Ti43.0Ni5.0Cu2.0V alloys was about 9 K which was much smaller than that of a Ti44.5Ni5.0Cu0.5V alloy(23.3 K). More than 90% of superelastic recovery ratio was observed in all specimens and transformation hysteresis (??) of a Ti44.5Ni5.0Cu0.5V alloy was about 70 MPa, which was much larger than that of a Ti43.0Ni5.0Cu2.0V alloy (35 MPa).

  12. Atomic simulation of mechanical behavior of Mg in a super-lattice of nanocrystalline Mg and amorphous Mg-Al alloy

    SciTech Connect (OSTI)

    Song, H. Y.; An, M. R.; Li, Y. L. Deng, Q.

    2014-12-07

    The mechanical properties of a super-lattice architecture composed of nanocrystalline Mg and Mg-Al amorphous alloy are investigated using molecular dynamics simulation. The results indicate that deformation mechanism of nanocrystalline Mg is obviously affected by the amorphous boundary spacing and temperature. The strength of the material increases with the decrease of amorphous boundary spacing, presenting a Hall-Petch effect at both 10?K and 300?K. A stress platform and following stiffness softening, as well as a linear strengthening in the plastic stage, are observed when the amorphous boundary spacing below 8.792?nm at 10?K. The implying reason may be that the amorphous boundary acts as the dislocations emission and absorption source. However, the second stress peak is not observed for the models at 300?K. Instead, the flow stress in plastic stage is a nearly constant value. The simulation demonstrates the emergence of the new grain, accompanied by the deformation twins and stacking faults associated with the plastic behaviors at 300?K. The general conclusions derived from this work may provide a guideline for the design of high-performance hexagonal close-packed metals.

  13. Defect tolerant transmission lithography mask (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Structural imperfections and defects in the coating have negligible effect on the aerial ... the phase defect problem, and is independent of the thermal load during exposure. ...

  14. Could Material Defects Actually Improve Solar Cells?

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Deep-level defects frequently hamper the efficiency of solar cells, but NREL theoretical research suggests that defects with properly engineered energy levels can improve carrier ...

  15. Mechanical behavior and electrical conductivity of La1-xCaxCoO3 (x = 0, 0.2, 0.4, 0.55) perovskites

    SciTech Connect (OSTI)

    Pathak, Siddhartha; Steinmetz, David; Kuebler, Jakob; Payzant, E Andrew; Orlovskaya, Nina

    2010-01-01

    This paper compares the important mechanical properties and the electrical conductivities from room temperature to 800oC of four LaCoO3 based cobaltite compositions with 0, 20, 40 and 55% Ca2+ ions substituted on the A site of the perovskite structure respectively. Ca2+ doped lanthanum cobaltite materials are strong candidates for use as cathodes in lower temperature solid oxide fuel cells operating at or below 800oC. Among these four cobaltite compositions, two (LaCoO3 and La0.8Ca0.2CoO3) were found to be phase pure materials, whereas the remaining two compositions (La0.6Ca0.4CoO3 and La0.45Ca0.55CoO3) contained precipitation of secondary phases such as CaO and Co3O4. The mechanical properties of the four compositions, in terms of Young s modulus, four-point bending strength and fracture toughness measurements, were measured at both room temperature and 800oC. At room temperature, doping with Ca2+ was found to substantially increase the mechanical properties of the cobaltites, whereas at 800oC the pure LaCoO3 composition exhibited higher modulus and strength values than La0.8Ca0.2CoO3. All of the four compositions exhibited ferroelastic behavior, as shown by the hysteresis loops generated during uniaxial load-unload compression tests. Electrical conductivity measurements showed the La0.8Ca0.2CoO3 composition to have the highest conductivity among the four compositions.

  16. Sequential detection of web defects

    DOE Patents [OSTI]

    Eichel, Paul H.; Sleefe, Gerard E.; Stalker, K. Terry; Yee, Amy A.

    2001-01-01

    A system for detecting defects on a moving web having a sequential series of identical frames uses an imaging device to form a real-time camera image of a frame and a comparitor to comparing elements of the camera image with corresponding elements of an image of an exemplar frame. The comparitor provides an acceptable indication if the pair of elements are determined to be statistically identical; and a defective indication if the pair of elements are determined to be statistically not identical. If the pair of elements is neither acceptable nor defective, the comparitor recursively compares the element of said exemplar frame with corresponding elements of other frames on said web until one of the acceptable or defective indications occur.

  17. Topological defects from the multiverse

    SciTech Connect (OSTI)

    Zhang, Jun; Blanco-Pillado, Jose J.; Garriga, Jaume; Vilenkin, Alexander

    2015-05-28

    Many theories of the early universe predict the existence of a multiverse where bubbles continuously nucleate giving rise to observers in their interior. In this paper, we point out that topological defects of several dimensionalities will also be produced in de Sitter like regions of the multiverse. In particular, defects could be spontaneously nucleated in our parent vacuum. We study the evolution of these defects as they collide with and propagate inside of our bubble. We estimate the present distribution of defects in the observable part of the universe. The expected number of such nearby defects turns out to be quite small, even for the highest nucleation rate. We also study collisions of strings and domain walls with our bubble in our past light cone. We obtain simulated full-sky maps of the loci of such collisions, and find their angular size distribution. Similarly to what happens in the case of bubble collisions, the prospect of detecting any collisions of our bubble with ambient defects is greatly enhanced in the case where the cosmological constant of our parent vacuum is much higher than the vacuum energy density during inflation in our bubble.

  18. Size- and structure-dependence of thermal and mechanical behaviors of single-crystalline and polytypic superlattice ZnS nanowires

    SciTech Connect (OSTI)

    Moon, Junghwan; Cho, Maenghyo; Zhou, Min

    2015-06-07

    Molecular dynamics (MD) simulations are carried out to study the thermal and mechanical behaviors of single-crystalline wurtzite (WZ), zinc-blende (ZB), and polytypic superlattice ZnS nanowires containing alternating WZ and ZB regions with thicknesses between 1.85?nm and 29.62?nm under tensile loading. The wires analyzed have diameters between 1.77?nm and 5.05?nm. The Green-Kubo method is used to calculate the thermal conductivity of the wires at different deformed states. A non-equilibrium MD approach is used to analyze the thermal transport behavior at the interfaces between different structural regions in the superlattice nanowires (SLNWs). The Young's modulus and thermal conductivity of ZB nanowires are approximately 2%12% and 23%35% lower than those of WZ nanowires, respectively. The lower initial residual compressive stress due to higher irregularity of surface atoms causes the Young's modulus of ZB nanowires to be lower. The dependence of the thermal conductivity on structure comes from differences in phonon group velocities associated with the different wires. The thermal conductivity of polytypic superlattice nanowires is up to 55% lower than that of single-crystalline nanowires, primarily because of phonon scattering at the interfaces and the resulting lower effective phonon mean free paths for each structural region. As the periodic lengths (1.8529.62?nm) and specimen lengths (14.8159.24?nm) of SLNWs decrease, these effects become more pronounced, causing the thermal conductivity to further decrease by up to 30%.

  19. Effect of reinforcing particle type on morphology and age-hardening behavior of Al–4.5 wt.% Cu based nanocomposites synthesized through mechanical milling

    SciTech Connect (OSTI)

    Mostaed, A.; Saghafian, H.; Mostaed, E.; Shokuhfar, A.; Rezaie, H.R.

    2013-02-15

    The effects of reinforcing particle type (SiC and TiC) on morphology and precipitation hardening behavior of Al–4.5%Cu based nanocomposites synthesized via mechanical milling were investigated in the current work. In order to study the microstructure and morphology of mechanically milled powder, X-ray diffraction technique, scanning electron microscopy and high resolution transmission electron microscopy were utilized. Results revealed that at the early stages of mechanical milling, when reinforcing particles are polycrystal, the alloying process is enhanced more in the case of using the TiC particles as reinforcement. But, at the final stages of mechanical milling, when reinforcing particles are single crystal, the alloying process is enhanced more in the case of using the SiC ones. Transmission electron microscopy results demonstrated that Al–4.5 wt.%Cu based nanocomposite powders were synthesized and confirmed that the mutual diffusion of aluminum and copper occurs through the interfacial plane of (200). The hardness results showed that not only does introducing 4 vol.% of reinforcing particles (SiC or TiC) considerably decrease the porosity of the bulk composite samples, but also it approximately doubles the hardness of Al–4.5 wt.%Cu alloy (53.4 HB). Finally, apart from TEM and scanning electron microscopy observation which are localized, a decline in hardness in the TiC and SiC contained samples, respectively, after 1.5 and 2 h aging time at 473 K proves the fact that the size of SiC particles is smaller than the size of the TiC ones. - Highlights: ► HRTEM results show mutual diffusion of Al and Cu occurs through the (200) planes. ► TiC particles enhance alloying process more than the SiC ones at the early stages of MM. ► SiC particles enhance alloying process more than the TiC ones at the final stages of MM.

  20. The effect of magnetic field on bistability in 1D photonic crystal doped by magnetized plasma and coupled nonlinear defects

    SciTech Connect (OSTI)

    Mehdian, H.; Mohammadzahery, Z.; Hasanbeigi, A. [Department of Physics and Institute for Plasma Research, Kharazmi University, 49 Dr Mofatteh Avenue, Tehran 15614 (Iran, Islamic Republic of)] [Department of Physics and Institute for Plasma Research, Kharazmi University, 49 Dr Mofatteh Avenue, Tehran 15614 (Iran, Islamic Republic of)

    2014-01-15

    In this work, we study the defect mode and bistability behavior of 1-D photonic band gap structure with magnetized plasma and coupled nonlinear defects. The transfer matrix method has been employed to investigate the magnetic field effect on defect mode frequency and bistability threshold. The obtained results show that the frequency of defect mode and bistability threshold can be altered, without changing the structure of the photonic multilayer. Therefore, the bistability behavior of the subjected structure in the presence of magnetized plasma can be utilized in manufacturing wide frequency range devices.

  1. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    have a significant impact on the commercial success of these novel devices. Scanning electron microscopy image of an indium pillar characterized by scanning x-ray...

  2. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Measuring energy efficiency: Opportunities from standardization and common metrics For 2016 EIA Energy Conference July 11, 2016 | Washington, D.C. By Stacy Angel, Energy Information Portfolio Analyst Carol White, Senior Energy Efficiency Analyst How is the importance of measuring energy efficiency changing? * The number of energy efficiency policies and programs is growing. * Common metrics help measure progress towards multiple objectives. * Clear metrics help consumers make informed energy

  3. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    of GNDs. The initial density of GNDs in this grain was estimated to be 3.35 x 109 cm-2 (Cahn-Nye analysis), which translates into about 4.2 total dislocations in a 250-nm-diameter...

  4. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical...

  5. Mechanical Behavior of Indium Nanostructures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    26 May 2010 00:00 Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical...

  6. Center for Materials at Irradiation and Mechanical Extremes: Los Alamos Lab

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Employment Opportunities The Center employs qualified postdoctoral researchers at LANL on all CMIME research teams. Background in mechanical behavior and/or radiation effects in structural metals and/or ceramics is needed, with expertise in interfaces and defects in materials. In experimental research, skills in high-resolution TEM (preferably aberration-corrected TEM) are required. In theoretical research, skills in atomistic modeling are required. US citizenship is not required. Want more

  7. Defect distributions in weld-deposited cladding

    SciTech Connect (OSTI)

    Li, Y.Y.; Mabe, W.R.

    1998-11-01

    Defect distributions in stainless steel and nickel-chromium alloy weld-deposited cladding over a low alloy steel base were characterized by destructive evaluation (DE). An evaluation of the observed defects was conducted to characterize the defects by type or classification. Size distributions of cladding defect types were developed from the information obtained. This paper presents the results of the cladding evaluation.

  8. Simplified models of growth, defect formation, and thermal conductivity in diamond chemical vapor deposition

    SciTech Connect (OSTI)

    Coltrin, M.E.; Dandy, D.S.

    1996-04-01

    A simplified surface reaction mechanism is presented for the CVD of diamond thin films. The mechanism also accounts for formation of point defects in the diamond lattice, an alternate, undesirable reaction pathway. Both methyl radicals and atomic C are considered as growth precursors. While not rigorous in all details, the mechanism is useful in describing the CVD diamond process over a wide range of reaction conditions. It should find utility in reactor modeling studies, for example in optimizing diamond growth rate while minimizing defect formation. This report also presents a simple model relating the diamond point-defect density to the thermal conductivity of the material.

  9. Defect Migration and Recombination in Nanoindentation of Silica Glass |

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Argonne Leadership Computing Facility Defect Migration and Recombination in Nanoindentation of Silica Glass Authors: Nomura, K., Chen, Y., Kalia, R.K., Nakano, A., Vashishta, P. Deformation, plasticity, and flow in silica-based glasses have been studied for decades, and yet important questions remain about the atomistic mechanisms underlying these processes. Our molecular dynamics simulations of nanoindentation indicate that these mechanical processes have a unified underlying atomistic

  10. Multidimensional Multiphysics Simulation of Nuclear Fuel Behavior

    SciTech Connect (OSTI)

    R. L. Williamson; J. D. Hales; S. R. Novascone; M. R. Tonks; D. R. Gaston; C. J. Permann; D. Andrs; R. C. Martineau

    2012-04-01

    Important aspects of fuel rod behavior, for example pellet-clad mechanical interaction (PCMI), fuel fracture, oxide formation, non- axisymmetric cooling, and response to fuel manufacturing defects, are inherently multidimensional in addition to being complicated multiphysics problems. Many current modeling tools are strictly 2D axisymmetric or even 1.5D. This paper outlines the capabilities of a new fuel modeling tool able to analyze either 2D axisymmetric or fully 3D models. These capabilities include temperature-dependent thermal conductivity of fuel; swelling and densification; fuel creep; pellet fracture; fission gas release; cladding creep; irradiation growth; and gap mechanics (contact and gap heat transfer). The need for multiphysics, multidimensional modeling is then demonstrated through a discussion of results for a set of example problems. The first, a 10-pellet rodlet, demonstrates the viability of the solution method employed. This example highlights the effect of our smeared cracking model and also shows the multidimensional nature of discrete fuel pellet modeling. The second example relies on our multidimensional, multiphysics approach to analyze a missing pellet surface problem. The next example is the analysis of cesium diffusion in a TRISO fuel particle with defects. As a final example, we show a lower-length-scale simulation coupled to a continuum-scale simulation.

  11. Density of defects and the scaling law of the entanglement entropy in quantum phase transition of one-dimensional spin systems induced by a quench

    SciTech Connect (OSTI)

    Basu, Banasri; Bandyopadhyay, Pratul; Majumdar, Priyadarshi

    2011-03-15

    We have studied quantum phase transition induced by a quench in different one-dimensional spin systems. Our analysis is based on the dynamical mechanism which envisages nonadiabaticity in the vicinity of the critical point. This causes spin fluctuation which leads to the random fluctuation of the Berry phase factor acquired by a spin state when the ground state of the system evolves in a closed path. The two-point correlation of this phase factor is associated with the probability of the formation of defects. In this framework, we have estimated the density of defects produced in several one-dimensional spin chains. At the critical region, the entanglement entropy of a block of L spins with the rest of the system is also estimated which is found to increase logarithmically with L. The dependence on the quench time puts a constraint on the block size L. It is also pointed out that the Lipkin-Meshkov-Glick model in point-splitting regularized form appears as a combination of the XXX model and Ising model with magnetic field in the negative z axis. This unveils the underlying conformal symmetry at criticality which is lost in the sharp point limit. Our analysis shows that the density of defects as well as the scaling behavior of the entanglement entropy follows a universal behavior in all these systems.

  12. Apparatus and method for defect testing of integrated circuits

    DOE Patents [OSTI]

    Cole, Jr., Edward I.; Soden, Jerry M.

    2000-01-01

    An apparatus and method for defect and failure-mechanism testing of integrated circuits (ICs) is disclosed. The apparatus provides an operating voltage, V.sub.DD, to an IC under test and measures a transient voltage component, V.sub.DDT, signal that is produced in response to switching transients that occur as test vectors are provided as inputs to the IC. The amplitude or time delay of the V.sub.DDT signal can be used to distinguish between defective and defect-free (i.e. known good) ICs. The V.sub.DDT signal is measured with a transient digitizer, a digital oscilloscope, or with an IC tester that is also used to input the test vectors to the IC. The present invention has applications for IC process development, for the testing of ICs during manufacture, and for qualifying ICs for reliability.

  13. Voltage shifts and defect-dipoles in ferroelectric capacitors

    SciTech Connect (OSTI)

    Warren, W.L.; Pike, G.E.; Dimos, D.

    1996-12-01

    We review the processes and mechanisms by which voltage offsets occur in the hysteresis loop of ferroelectric materials. Simply stated, voltage shifts arise from near-interfacial charge trapping in the ferroelectric. We show that the impetus behind voltage shifts in ferroelectric capacitors is the net polarization, with the net polarization being determined by the perovskite and the aligned defect-dipole components. Some common defect-dipoles in the PZT system are lead vacancy-oxygen vacancy complexes. One way to change the net polarization in the ferroelectric is to subject the PZT capacitor to a dc bias at elevated temperature; this process is spectroscopically shown to align defect-dipoles along the direction of the applied electric field. The alignment of defect-dipoles can strongly impact several material properties. One such impact is that it can lead to enhanced voltage shifts (imprint). It is proposed that the net polarization determines the spatial location of the asymmetrically trapped charge that are the cause for the voltage shifts. An enhanced polarization at one electrode interface can lead to larger voltage shifts since it lowers the electrostatic potential well for electron trapping, i.e., more electron trapping can occur. Defect-dipole alignment is also shown to increase the UV sensitivity of the ferroelectric.

  14. Structure, defects, and strain in silicon-silicon oxide interfaces

    SciTech Connect (OSTI)

    Kova?evi?, Goran Pivac, Branko

    2014-01-28

    The structure of the interfaces between silicon and silicon-oxide is responsible for proper functioning of MOSFET devices while defects in the interface can deteriorate this function and lead to their failure. In this paper we modeled this interface and characterized its defects and strain. MD simulations were used for reconstructing interfaces into a thermodynamically stable configuration. In all modeled interfaces, defects were found in the form of three-coordinated silicon atom, five coordinated silicon atom, threefold-coordinated oxygen atom, or displaced oxygen atom. Three-coordinated oxygen atom can be created if dangling bonds on silicon are close enough. The structure and stability of three-coordinated silicon atoms (P{sub b} defect) depend on the charge as well as on the electric field across the interface. The negatively charged P{sub b} defect is the most stable one, but the electric field resulting from the interface reduces that stability. Interfaces with large differences in periodic constants of silicon and silicon oxide can be stabilized by buckling of silicon layer. The mechanical stress resulted from the interface between silicon and silicon oxide is greater in the silicon oxide layer. Ab initio modeling of clusters representing silicon and silicon oxide shows about three time larger susceptibility to strain in silicon oxide than in silicon if exposed to the same deformation.

  15. Defect annealing and thermal desorption of deuterium in low dose HFIR neutron-irradiated tungsten

    SciTech Connect (OSTI)

    Masashi Shimada; M. Hara; T. Otsuka; Y. Oya; Y. Hatano

    2014-05-01

    Accurately estimating tritium retention in plasma facing components (PFCs) and minimizing its uncertainty are key safety issues for licensing future fusion power reactors. D-T fusion reactions produce 14.1 MeV neutrons that activate PFCs and create radiation defects throughout the bulk of the material of these components. Recent studies show that tritium migrates and is trapped in bulk (>> 10 m) tungsten beyond the detection range of nuclear reaction analysis technique [1-2], and thermal desorption spectroscopy (TDS) technique becomes the only established diagnostic that can reveal hydrogen isotope behavior in in bulk (>> 10 m) tungsten. Radiation damage and its recovery mechanisms in neutron-irradiated tungsten are still poorly understood, and neutron-irradiation data of tungsten is very limited. In this paper, systematic investigations with repeated plasma exposures and thermal desorption are performed to study defect annealing and thermal desorption of deuterium in low dose neutron-irradiated tungsten. Three tungsten samples (99.99 at. % purity from A.L.M.T. Co., Japan) irradiated at High Flux Isotope Reactor at Oak Ridge National Laboratory were exposed to high flux (ion flux of (0.5-1.0)x1022 m-2s-1 and ion fluence of 1x1026 m-2) deuterium plasma at three different temperatures (100, 200, and 500 C) in Tritium Plasma Experiment at Idaho National Laboratory. Subsequently, thermal desorption spectroscopy (TDS) was performed with a ramp rate of 10 C/min up to 900 C, and the samples were annealed at 900 C for 0.5 hour. These procedures were repeated three (for 100 and 200 C samples) and four (for 500 C sample) times to uncover damage recovery mechanisms and its effects on deuterium behavior. The results show that deuterium retention decreases approximately 90, 75, and 66 % for 100, 200, and 500 C, respectively after each annealing. When subjected to the same TDS recipe, the desorption temperature shifts from 800 C to 600 C after 1st annealing for the

  16. Energetics of Defects on Graphene through Fluorination

    SciTech Connect (OSTI)

    Xiao, Jie; Meduri, Praveen; Chen, Honghao; Wang, Zhiguo; Gao, Fei; Hu, Jian Z.; Feng, Ju; Hu, Mary Y.; Dai, Sheng; Brown, Suree; Adcock, Jamie L.; Deng, Zhiqun; Liu, Jun; Graff, Gordon L.; Aksay, Ilhan A.; Zhang, Jiguang

    2014-04-01

    In the present study, we used FGS[5] as the substrate and implemented low temperature (<=150 oC) direct fluorination on graphene sheets. The fluorine content has been modulated to investigate the formation mechanism of different functional groups such as C-F, CF2, O-CF2 and (C=O)F during the fluorination process. The detailed structure and chemical bonds were simulated theoretically and quantified experimentally by using density function theory (DFT) calculations and NMR techniques, respectively. The adjustable power/energy ratio from fluorinated graphene as cathode for primary lithium batteries is also discussed. From a combination of NMR spectroscopy and theoretical calculation, we conclude that the topological defects without oxygen containing groups provide most of the reactive sites to react with F. FGS also contain a small number of COOH groups which contribute for the fluorination reaction. Hydroxyl or epoxy groups contribute to another fraction of the reaction products.

  17. Defect tolerant transmission lithography mask

    DOE Patents [OSTI]

    Vernon, Stephen P.

    2000-01-01

    A transmission lithography mask that utilizes a transparent substrate or a partially transparent membrane as the active region of the mask. A reflective single layer or multilayer coating is deposited on the membrane surface facing the illumination system. The coating is selectively patterned (removed) to form transmissive (bright) regions. Structural imperfections and defects in the coating have negligible effect on the aerial image of the mask master pattern since the coating is used to reflect radiation out of the entrance pupil of the imaging system. Similarly, structural imperfections in the clear regions of the membrane have little influence on the amplitude or phase of the transmitted electromagnetic fields. Since the mask "discards," rather than absorbs, unwanted radiation, it has reduced optical absorption and reduced thermal loading as compared to conventional designs. For EUV applications, the mask circumvents the phase defect problem, and is independent of the thermal load during exposure.

  18. Inspection of lithographic mask blanks for defects

    DOE Patents [OSTI]

    Sommargren, Gary E.

    2001-01-01

    A visible light method for detecting sub-100 nm size defects on mask blanks used for lithography. By using optical heterodyne techniques, detection of the scattered light can be significantly enhanced as compared to standard intensity detection methods. The invention is useful in the inspection of super-polished surfaces for isolated surface defects or particulate contamination and in the inspection of lithographic mask or reticle blanks for surface defects or bulk defects or for surface particulate contamination.

  19. The relationship between grain boundary structure, defect mobility, and grain boundary sink efficiency

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Uberuaga, Blas Pedro; Vernon, Louis J.; Martinez, Enrique; Voter, Arthur F.

    2015-03-13

    Nanocrystalline materials have received great attention due to their potential for improved functionality and have been proposed for extreme environments where the interfaces are expected to promote radiation tolerance. However, the precise role of the interfaces in modifying defect behavior is unclear. Using long-time simulations methods, we determine the mobility of defects and defect clusters at grain boundaries in Cu. We find that mobilities vary significantly with boundary structure and cluster size, with larger clusters exhibiting reduced mobility, and that interface sink efficiency depends on the kinetics of defects within the interface via the in-boundary annihilation rate of defects. Thus,more » sink efficiency is a strong function of defect mobility, which depends on boundary structure, a property that evolves with time. Further, defect mobility at boundaries can be slower than in the bulk, which has general implications for the properties of polycrystalline materials. Finally, we correlate defect energetics with the volumes of atomic sites at the boundary.« less

  20. Selecting the best defect reduction methodology

    SciTech Connect (OSTI)

    Hinckley, C.M.; Barkan, P.

    1994-04-01

    Defect rates less than 10 parts per million, unimaginable a few years ago, have become the standard of world-class quality. To reduce defects, companies are aggressively implementing various quality methodologies, such as Statistical Quality Control Motorola`s Six Sigma, or Shingo`s poka-yok. Although each quality methodology reduces defects, selection has been based on an intuitive sense without understanding their relative effectiveness in each application. A missing link in developing superior defect reduction strategies has been a lack of a general defect model that clarifies the unique focus of each method. Toward the goal of efficient defect reduction, we have developed an event tree which addresses a broad spectrum of quality factors and two defect sources, namely, error and variation. The Quality Control Tree (QCT) predictions are more consistent with production experience than obtained by the other methodologies considered independently. The QCT demonstrates that world-class defect rates cannot be achieved through focusing on a single defect source or quality control factor, a common weakness of many methodologies. We have shown that the most efficient defect reduction strategy depend on the relative strengths and weaknesses of each organization. The QCT can help each organization identify the most promising defect reduction opportunities for achieving its goals.

  1. Influence of granule character and compaction on the mechanical properties of sintered silicon nitride

    SciTech Connect (OSTI)

    Takahashi, Hideo; Shinohara, Nobuhiro; Uematsu, Keizo; JunIchiro, Tsubaki

    1996-04-01

    The influence of granule character and compaction on the mechanical properties of sintered silicon nitride was studied as a function of the pH of the spray-dry slurry. The character and the compaction behavior of the spray-dried silicon nitride granules considerably affect the mechanical properties of the sintered body. Dense and hard granules resulting from a well-dispersed slurry retained their shape in green compacts and caused numerous pore defects in sintered body. Decreasing the slurry pH to a certain value (e.g., 7.9) caused slurry flocculation and reduced the granule density as well as the diametral compression strength of the granules. Sintered bodies fabricated with these weak granules contained fewer defects and showed remarkable strength increase.

  2. Non-monotonic temperature dependence of radiation defect dynamics in silicon carbide

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bayu Aji, L. B.; Wallace, J. B.; Shao, L.; Kucheyev, S. O.

    2016-08-03

    Understanding response of solids to particle irradiation remains a major materials physics challenge. This applies even to SiC, which is a prototypical nuclear ceramic and wide-band-gap semiconductor material. The lack of predictability is largely related to the complex, dynamic nature of radiation defect formation. Here, we use a novel pulsed-ion-beam method to study dynamic annealing in 4H-SiC ion-bombarded in the temperature range of 25–250 °C. We find that, while the defect recombination efficiency shows an expected monotonic increase with increasing temperature, the defect lifetime exhibits a non-monotonic temperature dependence with a maximum at ~100 °C. This finding indicates a changemore » in the dominant defect interaction mechanism at ~100 °C. As a result, the understanding of radiation defect dynamics may suggest new paths to designing radiation-resistant materials.« less

  3. Graphene defect formation by extreme ultraviolet generated photoelectrons

    SciTech Connect (OSTI)

    Gao, A. Lee, C. J.; Bijkerk, F.

    2014-08-07

    We have studied the effect of photoelectrons on defect formation in graphene during extreme ultraviolet (EUV) irradiation. Assuming the major role of these low energy electrons, we have mimicked the process by using low energy primary electrons. Graphene is irradiated by an electron beam with energy lower than 80?eV. After e-beam irradiation, it is found that the D peak, I(D), appears in the Raman spectrum, indicating defect formation in graphene. The evolution of I(D)/I(G) follows the amorphization trajectory with increasing irradiation dose, indicating that graphene goes through a transformation from microcrystalline to nanocrystalline and then further to amorphous carbon. Further, irradiation of graphene with increased water partial pressure does not significantly change the Raman spectra, which suggests that, in the extremely low energy range, e-beam induced chemical reactions between residual water and graphene are not the dominant mechanism driving defect formation in graphene. Single layer graphene, partially suspended over holes was irradiated with EUV radiation. By comparing with the Raman results from e-beam irradiation, it is concluded that the photoelectrons, especially those from the valence band, contribute to defect formation in graphene during irradiation.

  4. Could Material Defects Actually Improve Solar Cells?

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Could Material Defects Actually Improve Solar Cells? Could Material Defects Actually Improve Solar Cells? March 21, 2016 Contact: Kathy Kincade, kkincade@lbl.gov, +1 510 495 2124 NRELsolarcell Scientists at the U.S. Department of Energy's (DOE) National Renewable Energy Laboratory (NREL) are using supercomputers to study what may seem paradoxical: certain defects in silicon solar cells may actually improve their performance. The findings, published January 11, 2016 in Applied Physics Letters,

  5. Internal hydriding in irradiated defected Zircaloy fuel rods: A review (LWBR Development Program)

    SciTech Connect (OSTI)

    Clayton, J C

    1987-10-01

    Although not a problem in recent commercial power reactors, including the Shippingport Light Water Breeder Reactor, internal hydriding of Zircaloy cladding was a persistent cause of gross cladding failures during the 1960s. It occurred in the fuel rods of water-cooled nuclear power reactors that had a small cladding defect. This report summarizes the experimental findings, causes, mechanisms, and methods of minimizing internal hydriding in defected Zircaloy-clad fuel rods. Irradiation test data on the different types of defected fuel rods, intentionally fabricated defected and in-pile operationally defected rods, are compared. Significant factors affecting internal hydriding in defected Zircaloy-clad fuel rods (defect hole size, internal and external sources of hydrogen, Zircaloy cladding surface properties, nickel alloy contamination of Zircaloy, the effect of heat flux and fluence) are discussed. Pertinent in-pile and out-of-pile test results from Bettis and other laboratories are used as a data base in constructing a qualitative model which explains hydrogen generation and distribution in Zircaloy cladding of defected water-cooled reactor fuel rods. Techniques for minimizing internal hydride failures in Zircaloy-clad fuel rods are evaluated.

  6. Characterization of V-shaped defects in 4H-SiC homoepitaxial layers

    SciTech Connect (OSTI)

    Zhang, Lihua; Su, Dong; Kisslinger, Kim; Stach, Eric; Chung, Gil; Zhang, Jie; Thomas, Bernd; Sanchez, Edward K; Mueller, Stephan G.; Hansen, Darren; Loboda, Mark J.; Wu, Fangzhen; Wang, Huanhuan; Raghothamachar, Balaji; Dudley, Michael

    2014-12-04

    Synchrotron white beam x-ray topography images show that faint needle-like surface morphological features observed on the Si-face of 4H-SiC homoepitaxial layers using Nomarski optical microscopy are associated with V shaped stacking faults in the epilayer. KOH etching of the V shaped defect reveals small oval pits connected by a shallow line which corresponding to the surface intersections of two partial dislocations and the stacking fault connecting them. Transmission electron microscopy (TEM) specimens from regions containing the V shaped defects were prepared using focused ion beam milling, and stacking sequences of (85), (50) and (63) are observed at the faulted region with high resolution TEM. In order to study the formation mechanism of V shaped defect, low dislocation density 4H-SiC substrates were chosen for epitaxial growth, and the corresponding regions before and after epitaxy growth are compared in SWBXT images. It is found that no defects in the substrate are directly associated with the formation of the V shaped defect. Simulation results of the contrast from the two partial dislocations associated with V shaped defect in synchrotron monochromatic beam x-ray topography reveals the opposite sign nature of their Burgers vectors. Therefore, a mechanism of 2D nucleation during epitaxy growth is postulated for the formation of the V shaped defect, which requires elimination of non-sequential 1/4[0001] bilayers from the original structure to create the observed faulted stacking sequence.

  7. Characterization of V-shaped defects in 4H-SiC homoepitaxial layers

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhang, Lihua; Su, Dong; Kisslinger, Kim; Stach, Eric; Chung, Gil; Zhang, Jie; Thomas, Bernd; Sanchez, Edward K; Mueller, Stephan G.; Hansen, Darren; et al

    2014-12-04

    Synchrotron white beam x-ray topography images show that faint needle-like surface morphological features observed on the Si-face of 4H-SiC homoepitaxial layers using Nomarski optical microscopy are associated with V shaped stacking faults in the epilayer. KOH etching of the V shaped defect reveals small oval pits connected by a shallow line which corresponding to the surface intersections of two partial dislocations and the stacking fault connecting them. Transmission electron microscopy (TEM) specimens from regions containing the V shaped defects were prepared using focused ion beam milling, and stacking sequences of (85), (50) and (63) are observed at the faulted regionmore » with high resolution TEM. In order to study the formation mechanism of V shaped defect, low dislocation density 4H-SiC substrates were chosen for epitaxial growth, and the corresponding regions before and after epitaxy growth are compared in SWBXT images. It is found that no defects in the substrate are directly associated with the formation of the V shaped defect. Simulation results of the contrast from the two partial dislocations associated with V shaped defect in synchrotron monochromatic beam x-ray topography reveals the opposite sign nature of their Burgers vectors. Therefore, a mechanism of 2D nucleation during epitaxy growth is postulated for the formation of the V shaped defect, which requires elimination of non-sequential 1/4[0001] bilayers from the original structure to create the observed faulted stacking sequence.« less

  8. Research Challenge 4: Defect-Carrier Interactions

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    4: Defect-Carrier Interactions - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary ...

  9. Radiation defect dynamics in Si at room temperature studied by pulsed ion beams

    SciTech Connect (OSTI)

    Wallace, J. B.; Myers, M. T.; Charnvanichborikarn, S.; Bayu Aji, L. B.; Kucheyev, S. O.; Shao, L.

    2015-10-07

    The evolution of radiation defects after the thermalization of collision cascades often plays the dominant role in the formation of stable radiation disorder in crystalline solids of interest to electronics and nuclear materials applications. Here, we explore a pulsed-ion-beam method to study defect interaction dynamics in Si crystals bombarded at room temperature with 500 keV Ne, Ar, Kr, and Xe ions. The effective time constant of defect interaction is measured directly by studying the dependence of lattice disorder, monitored by ion channeling, on the passive part of the beam duty cycle. The effective defect diffusion length is revealed by the dependence of damage on the active part of the beam duty cycle. Results show that the defect relaxation behavior obeys a second order kinetic process for all the cases studied, with a time constant in the range of ∼4–13 ms and a diffusion length of ∼15–50 nm. Both radiation dynamics parameters (the time constant and diffusion length) are essentially independent of the maximum instantaneous dose rate, total ion dose, and dopant concentration within the ranges studied. However, both the time constant and diffusion length increase with increasing ion mass. This demonstrates that the density of collision cascades influences not only defect production and annealing efficiencies but also the defect interaction dynamics.

  10. Defects in GaInNAs: What We've Learned So Far

    SciTech Connect (OSTI)

    Ptak, A. J.; Kurtz, S.; Johnston, S. W.; Friedman, D. J.; Geisz, J. F.; Olson, J. M.; McMahon, W. E.; Kibbler, A. E.; Kramer, C.; Young, M.; Wei, S.-H; Zhang, S.B.; Janotti, A.; Carrier, P.; Crandall, R. S.; Keyes, B. M.; Dippo, P.; Norman, A. G.; Metzger, W. K.; Ahrenkiel, R. K.

    2003-05-01

    We show results from a number of experimental and theoretical investigations on GaInNAs in an attempt to provide a more complete picture of defects in this material than is currently available. Much has been learned in recent years, including the effects of impurities such as hydrogen and carbon, the behavior of GaInNAs on annealing, and the defects that cause a degradation of material properties, including photoluminescence intensity and, especially important for solar cells, minority-carrier lifetimes. Much of our current understanding stems from a comparison of GaInNAs grown by both MOCVD and MBE. This comparison, along with the use of several characterization techniques and theoretical modeling, has allowed us to understand the roles of various defects and to identify a signature for the defect that reduces the minority-carrier lifetime.

  11. Energy Dissipation to Defect Evolution (EDDE) | U.S. DOE Office of Science

    Office of Science (SC) Website

    (SC) Dissipation to Defect Evolution (EDDE) Energy Frontier Research Centers (EFRCs) EFRCs Home Centers EFRC External Websites Research Science Highlights News & Events Publications History Contact BES Home Centers Energy Dissipation to Defect Evolution (EDDE) Print Text Size: A A A FeedbackShare Page EDDE Header Director Yanwen Zhang Lead Institution Oak Ridge National Laboratory Year Established 2014 Mission To develop a fundamental understanding of energy dissipation mechanisms

  12. Evaluation of the thermal-hydraulic response and fuel rod thermal and mechanical deformation behavior during the power burst facility test LOC-3. [PWR

    SciTech Connect (OSTI)

    Yackle, T.R.; MacDonald, P.E.; Broughton, J.M.

    1980-01-01

    An evaluation of the results from the LOC-3 nuclear blowdown test conducted in the Power Burst Facility is presented. The test objective was to examine fuel and cladding behavior during a postulated cold leg break accident in a pressurized water reactor (PWR). Separate effects of rod internal pressure and the degree of irradiation were investigated in the four-rod test. Extensive cladding deformation (ballooning) and failure occurred during blowdown. The deformation of the low and high pressure rods was similar; however, the previously irradiated test rod deformed to a greater extent than a similar fresh rod exposed to identical system conditions.

  13. Method for locating defective nuclear fuel elements

    SciTech Connect (OSTI)

    Lawrie, W.E.; White, N.W.; Womack, R.E.

    1982-02-02

    Defects in nuclear fuel elements are ascertained and located within an assembled fuel assembly by ultrasonic means. In a typical embodiment of the invention, an ultrasonic search unit is positioned within the fuel assembly opposite the lower plenum of the fuel element to be tested. An ultrasonic pulse is radially projected into the element. Defective fuel elements are ascertained by ultrasonic reflection measurements.

  14. CASTING DEFECT MODELING IN AN INTEGRATED COMPUTATIONAL MATERIALS ENGINEERING APPROACH

    SciTech Connect (OSTI)

    Sabau, Adrian S

    2015-01-01

    To accelerate the introduction of new cast alloys, the simultaneous modeling and simulation of multiphysical phenomena needs to be considered in the design and optimization of mechanical properties of cast components. The required models related to casting defects, such as microporosity and hot tears, are reviewed. Three aluminum alloys are considered A356, 356 and 319. The data on calculated solidification shrinkage is presented and its effects on microporosity levels discussed. Examples are given for predicting microporosity defects and microstructure distribution for a plate casting. Models to predict fatigue life and yield stress are briefly highlighted here for the sake of completion and to illustrate how the length scales of the microstructure features as well as porosity defects are taken into account for modeling the mechanical properties. Thus, the data on casting defects, including microstructure features, is crucial for evaluating the final performance-related properties of the component. ACKNOWLEDGEMENTS This work was performed under a Cooperative Research and Development Agreement (CRADA) with the Nemak Inc., and Chrysler Co. for the project "High Performance Cast Aluminum Alloys for Next Generation Passenger Vehicle Engines. The author would also like to thank Amit Shyam for reviewing the paper and Andres Rodriguez of Nemak Inc. Research sponsored by the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, as part of the Propulsion Materials Program under contract DE-AC05-00OR22725 with UT-Battelle, LLC. Part of this research was conducted through the Oak Ridge National Laboratory's High Temperature Materials Laboratory User Program, which is sponsored by the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program.

  15. Woodgrain defect on tinned steel Flandres foil

    SciTech Connect (OSTI)

    Sarkis, A.M.; Robin, A. Souza, V.A.; Suzuki, P.A.

    2011-06-15

    Tin electrocoated steel strip, also referred to as Flandres foil, is largely used for manufacturing food containers. Tinplates must have good corrosion resistance, workability, weldability, as well as a bright appearance. The woodgrain defect, a not yet fully understood defect that occurs on tinplates and accounts for their high scrap rate, consists of alternate bands of bright/dull reflectivity and resembles longitudinally cut wood. Observations of the woodgrain defect by scanning electron microscopy showed that the molten tin spreads irregularly during both the melting and solidification stages. X-ray diffraction analyses showed that the metallic tin tended to crystallize in the (200) direction for coupons with and without the woodgrain defect. Nevertheless, the preferential orientation degree decreased for coupons with the woodgrain defect. The rocking curves, also known as omega-scan, showed that the tin grains were uniformly aligned parallel to the strip surface for coupons with no defects, whereas for tinplates with woodgrain, the tin grains were not uniformly oriented, probably due to the misalignment of the grains in relation to the surface. - Graphical abstract: The woodgrain defect occurs on Flandres tinplates and consists in the formation of alternate bands of different reflectivity (bright/dull), which looks like longitudinally cut wood. X-ray diffractometry showed that the typical bright surface of tinplate is associated to the uniform distribution of aligned (200) Sn grains, whereas in tinplate with the woodgrain defect, the Sn grains were not uniformly oriented, due to the misalignment of the (200) Sn planes relative to the surface. Research highlights: {yields} The bright surface of tinplate is associated to the uniform distribution of aligned (200) Sn grains. {yields} The woodgrain defect on tinplate consists in alternate bands of bright/dull appearance. {yields} In tinplate with the woodgrain defect, the Sn grains were not uniformly oriented, due

  16. The role of point defects and defect complexes in silicon device processing. Summary report and papers

    SciTech Connect (OSTI)

    Sopori, B.; Tan, T.Y.

    1994-08-01

    This report is the summary of the third workshop on the role of point defects and defect complexes in silicon device processing. The workshop was organized: (1) to discuss recent progress in the material quality produced by photovoltaic Si manufacturers, (2) to foster the understanding of point defect issues in Si device processing, (3) to review the effects of inhomogeneities on large- area solar cell performance, (4) to discuss how to improve Si solar cell processing, and (5) to develop a new understanding of gettering, defect passivation, and defect annihilation. Separate abstract were prepared for the individual papers, for the database.

  17. Simulation of the Manufacturing of Non-Crimp Fabric-Reinforced Composite Wind Turbine Blades to Predict the Formation of Wave Defects

    SciTech Connect (OSTI)

    Fetfatsidis, K. A.; Sherwood, J. A. [Department of Mechanical Engineering, University of Massachusetts, Lowell One University Ave., Lowell, MA 01854 (United States)

    2011-05-04

    NCFs (Non-Crimp Fabrics) are commonly used in the design of wind turbine blades and other complex systems due to their ability to conform to complex shapes without the wrinkling that is typically experienced with woven fabrics or prepreg tapes. In the current research, a form of vacuum assisted resin transfer molding known as SCRIMP registered is used to manufacture wind turbine blades. Often, during the compacting of the fabric layers by the vacuum pressure, several plies may bunch together out-of-plane and form wave defects. When the resin is infused, the areas beneath the waves become resin rich and can compromise the structural integrity of the blade. A reliable simulation tool is valuable to help predict where waves and other defects may appear as a result of the manufacturing process. Forming simulations often focus on the in-plane shearing and tensile behavior of fabrics and do not necessarily consider the bending stiffness of the fabrics, which is important to predict the formation of wrinkles and/or waves. This study incorporates experimentally determined in-plane shearing, tensile, and bending stiffness information of NCFs into a finite element model (ABAQUS/Explicit) of a 9-meter wind turbine blade to investigate the mechanical behaviors that can lead to the formation of waves as a result of the manufacturing process.

  18. Amorphous carbon film growth on Si: Correlation between stress and generation of defects into the substrate

    SciTech Connect (OSTI)

    Brusa, R.S.; Macchi, C.; Mariazzi, S.; Karwasz, G.P.; Laidani, N.; Bartali, R.; Anderle, M.

    2005-05-30

    Amorphous carbon films of several thicknesses were prepared by graphite sputtering on crystalline silicon substrate. The samples were depth profiled with positron annihilation spectroscopy for open-volume measurements and characterized for their residual internal stress. It was found that after film growth the substrate presents vacancy-like defects decorated by oxygen in a layer extending in the substrate by several tens of nanometers beyond the film/Si interface. The width of the defected layer and the decoration of vacancy-like defects are directly and inversely proportional to the measured intensity of the residual stress, respectively. These findings indicate the existence of a relaxation mechanism of the stress in the films that involves deeply the substrate. The decorated vacancy-like defects are suggested to be bounded to dislocations induced in the substrate by the stress relaxation.

  19. Leak before break behaviour of austenitic and ferritic pipes containing circumferential defects

    SciTech Connect (OSTI)

    Stadtmueller, W.; Sturm, D.

    1997-04-01

    Several research projects carried out at MPA Stuttgart to investigate the Leak-before-Break (LBB) behavior of safety relevant pressure bearing components are summarized. Results presented relate to pipes containing circumferential defects subjected to internal pressure and external bending loading. An overview of the experimentally determined results for ferritic components is presented. For components containing postulated or actual defects, the dependence of the critical loading limit on the defect size is shown in the form of LBB curves. These are determined experimentally and/or by calculation for through-wall slits, and represent the boundary curve between leakage and massive fracture. For surface defects and a given bending moment and internal pressure, no fracture will occur if the length at leakage remains smaller than the critical defect length given by the LBB curve for through-wall defects. The predictive capability of engineering calculational methods are presented by way of example. The investigation programs currently underway, testing techniques, and initial results are outlined.

  20. Point Defects in Binary Laves-Phase Alloys

    SciTech Connect (OSTI)

    Liaw, P.K.; Liu, C.T.; Pike, L.M.; Zhu, J.H.

    1998-11-30

    Point defect mechanisms in the binary C15 NbCr{sub 2} and NbCo{sub 2}, and C14 NbFe{sub 2} systems on both sides of stoichiometry was studied and clarified by both bulk density and X-ray lattice parameter measurements. It was found that the vacancy concentrations in these systems after quenching from 1000 C are essentially zero. The constitutional defects on both sides of stoichiometry for these systems were found to be of the anti-site type in comparison with the model predictions. However, thermal vacancies exhibiting a maximum at the stoichiometric composition were obtained in NbCr{sub 2} laves phase alloys after quenching from 1400 C. These could be completely eliminated by annealing at 1000 C. Anti-site hardening was found on both sides of stoichiometry for all three Laves phase systems studied. Furthermore, the thermal vacancies in NbCr{sub 2} alloys after quenching from 1400 C were found to soften the Laves phase. The anti-site hardening of the Laves phases is similar to that of the B2 compounds, while the thermal vacancy softening is unique to the Laves phase. Both the anti-site defects and thermal vacancies do not significantly affect the fracture toughness of the Laves phases.

  1. Investigation of defect-induced abnormal body current in fin field-effect-transistors

    SciTech Connect (OSTI)

    Liu, Kuan-Ju; Tsai, Jyun-Yu; Lu, Ying-Hsin; Liu, Xi-Wen; Chang, Ting-Chang; Chen, Ching-En; Yang, Ren-Ya; Cheng, Osbert; Huang, Cheng-Tung

    2015-08-24

    This letter investigates the mechanism of abnormal body current at the linear region in n-channel high-k/metal gate stack fin field effect transistors. Unlike body current, which is generated by impact ionization at high drain voltages, abnormal body current was found to increase with decreasing drain voltages. Notably, the unusual body leakage only occurs in three-dimensional structure devices. Based on measurements under different operation conditions, the abnormal body current can be attributed to fin surface defect-induced leakage current, and the mechanism is electron tunneling to the fin via the defects, resulting in holes left at the body terminal.

  2. PROJECT PROFILE: Defining the Defect Chemistry and Structural...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Defining the Defect Chemistry and Structural Properties Required for 24%-Efficient CdTe Devices PROJECT PROFILE: Defining the Defect Chemistry and Structural Properties Required for ...

  3. Design of defect spins in piezoelectric aluminum nitride for...

    Office of Scientific and Technical Information (OSTI)

    Design of defect spins in piezoelectric aluminum nitride for solid-state hybrid quantum ... To date, defect qubits have only been realized in materials with strong covalent bonds. ...

  4. Defect Analysis of Vehicle Compressed Natural Gas Composite Cylinder...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Defect Analysis of Vehicle Compressed Natural Gas Composite Cylinder Defect Analysis of Vehicle Compressed Natural Gas Composite Cylinder These slides were presented at the Onboard ...

  5. Theory of Defect-Induced Non-Radiative Recombination. (Conference...

    Office of Scientific and Technical Information (OSTI)

    Conference: Theory of Defect-Induced Non-Radiative Recombination. Citation Details In-Document Search Title: Theory of Defect-Induced Non-Radiative Recombination. Authors: Modine, ...

  6. Partial Defect Testing of Pressurized Water Reactor Spent Fuel...

    Office of Scientific and Technical Information (OSTI)

    Partial Defect Testing of Pressurized Water Reactor Spent Fuel Assemblies Citation Details In-Document Search Title: Partial Defect Testing of Pressurized Water Reactor Spent Fuel ...

  7. Bowing of the defect formation energy in semiconductor alloys...

    Office of Scientific and Technical Information (OSTI)

    Bowing of the defect formation energy in semiconductor alloys Prev Next Title: Bowing of the defect formation energy in semiconductor alloys Authors: Ma, Jie ; Wei, Su-Huai ...

  8. Di-interstitial defect in silicon revisited

    SciTech Connect (OSTI)

    Londos, C. A.; Antonaras, G.; Chroneos, A.; Department of Materials, Imperial College London, London SW7 2BP

    2013-11-21

    Infrared spectroscopy was used to study the defect spectrum of Cz-Si samples following fast neutron irradiation. We mainly focus on the band at 533 cm{sup ?1}, which disappears from the spectra at ?170 C, exhibiting similar thermal stability with the Si-P6 electron paramagnetic resonance (EPR) spectrum previously correlated with the di-interstitial defect. The suggested structural model of this defect comprises of two self-interstitial atoms located symmetrically around a lattice site Si atom. The band anneals out following a first-order kinetics with an activation energy of 0.88 0.3 eV. This value does not deviate considerably from previously quoted experimental and theoretical values for the di-interstitial defect. The present results indicate that the 533 cm{sup ?1} IR band originates from the same structure as that of the Si-P6 EPR spectrum.

  9. Investigating Extreme Ultraviolet Lithography Mask Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... Tchikoulaeva, and C. Holfeld, "Actinic imaging of native and programmed defects on a full-field mask," Proc. SPIE 7636, 76361A (2010). ALS Science Highlight 213 ALSNews Vol. 311

  10. Investigating Extreme Ultraviolet Lithography Mask Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... La Fontaine, A. Tchikoulaeva, and C. Holfeld, "Actinic imaging of native and programmed defects on a full-field mask," Proc. SPIE 7636, 76361A (2010). ALS Science Highlight 213

  11. Phase measurements of EUV mask defects

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Claus, Rene A.; Wang, Yow-Gwo; Wojdyla, Antoine; Benk, Markus P.; Goldberg, Kenneth A.; Neureuther, Andrew R.; Naulleau, Patrick P.; Waller, Laura

    2015-02-22

    Extreme Ultraviolet (EUV) Lithography mask defects were examined on the actinic mask imaging system, SHARP, at Lawrence Berkeley National Laboratory. Also, a quantitative phase retrieval algorithm based on the Weak Object Transfer Function was applied to the measured through-focus aerial images to examine the amplitude and phase of the defects. The accuracy of the algorithm was demonstrated by comparing the results of measurements using a phase contrast zone plate and a standard zone plate. Using partially coherent illumination to measure frequencies that would otherwise fall outside the numerical aperture (NA), it was shown that some defects are smaller than themore » conventional resolution of the microscope. We found that the programmed defects of various sizes were measured and shown to have both an amplitude and a phase component that the algorithm is able to recover.« less

  12. Investigating Extreme Ultraviolet Lithography Mask Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    the size of this defect, which appears as a dark line surrounded by a transparent halo. Actinic inspection with the AIT shows that the halo is completely opaque to EUV. This...

  13. Investigating Extreme Ultraviolet Lithography Mask Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Investigating Extreme Ultraviolet Lithography Mask Defects Investigating Extreme Ultraviolet Lithography Mask Defects Print Wednesday, 28 July 2010 00:00 Since the 1970s, the semiconductor industry has strived to shrink the cost and size of circuit patterns printed onto computer chips in accordance with Moore's law, doubling the number of transistors on a computer's central processing unit (CPU) every two years. The introduction of extreme ultraviolet (EUV) lithography, printing chips using

  14. FRAPCON-2: a computer code for the calculation of steady state thermal-mechanical behavior of oxide fuel rods. Technical report

    SciTech Connect (OSTI)

    Berna, G.A.; Bohn, M.P.; Rausch, W.N.; Williford, R.E.; Lanning, D.D.

    1981-01-01

    FRAPCON-2 is a FORTRAN IV computer code that calculates the steady state response of light water reactor fuel rods during long-term burnup. The code calculates the temperature, pressure, deformation, and failure histories of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include: (a) heat conduction through the fuel and cladding, (b) cladding elastic and plastic deformation, (c) fuel-cladding mechanical interaction, (d) fission gas release, (e) fuel rod internal gas pressure, (f) heat transfer between fuel and cladding, (g) cladding oxidation, and (h) heat transfer from cladding to coolant. The code contains necessary material properties, water properties, and heat transfer correlations. FRAPCON-2 is programmed for use on the CDC Cyber 175 and 176 computers. The FRAPCON-2 code is designed to generate initial conditions for transient fuel rod analysis by either the FRAP-T6 computer code or the thermal-hydraulic code, RELAP4/MOD7 Version2.

  15. Spatially-resolved mapping of history-dependent coupled electrochemical and electronical behaviors of electroresistive NiO

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sugiyama, Issei; Kim, Yunseok; Jesse, Stephen; Strelcov, Evgheni; Kumar, Amit; Tselev, Alexander; Rahani, Ehasan Kabiri; Shenoy, Vivek B.; Yamamoto, Takahisa; Shibata, Naoya; et al

    2014-10-22

    Bias-induced oxygen ion dynamics underpins a broad spectrum of electroresistive and memristive phenomena in oxide materials. Although widely studied by device-level and local voltage-current spectroscopies, the relationship between electroresistive phenomena, local electrochemical behaviors, and microstructures remains elusive. Here, the interplay between history-dependent electronic transport and electrochemical phenomena in a NiO single crystalline thin film with a number of well-defined defect types is explored on the nanometer scale using an atomic force microscopy-based technique. A variety of electrochemically-active regions were observed and spatially resolved relationship between the electronic and electrochemical phenomena was revealed. The regions with pronounced electroresistive activity were furthermore » correlated with defects identified by scanning transmission electron microscopy. Using fully coupled mechanical-electrochemical modeling, we illustrate that the spatial distribution of strain plays an important role in electrochemical and electroresistive phenomena. In conclusion, these studies illustrate an approach for simultaneous mapping of the electronic and ionic transport on a single defective structure level such as dislocations or interfaces, and pave the way for creating libraries of defect-specific electrochemical responses.« less

  16. Revealing origin of quasi-one dimensional current transport in defect rich two dimensional materials

    SciTech Connect (OSTI)

    Lotz, Mikkel R.; Boll, Mads; Bøggild, Peter; Petersen, Dirch H.; Hansen, Ole; Kjær, Daniel

    2014-08-04

    The presence of defects in graphene have for a long time been recognized as a bottleneck for its utilization in electronic and mechanical devices. We recently showed that micro four-point probes may be used to evaluate if a graphene film is truly 2D or if defects in proximity of the probe will lead to a non-uniform current flow characteristic of lower dimensionality. In this work, simulations based on a finite element method together with a Monte Carlo approach are used to establish the transition from 2D to quasi-1D current transport, when applying a micro four-point probe to measure on 2D conductors with an increasing amount of line-shaped defects. Clear 2D and 1D signatures are observed at low and high defect densities, respectively, and current density plots reveal the presence of current channels or branches in defect configurations yielding 1D current transport. A strong correlation is found between the density filling factor and the simulation yield, the fraction of cases with 1D transport and the mean sheet conductance. The upper transition limit is shown to agree with the percolation threshold for sticks. Finally, the conductance of a square sample evaluated with macroscopic edge contacts is compared to the micro four-point probe conductance measurements and we find that the micro four-point probe tends to measure a slightly higher conductance in samples containing defects.

  17. Role of point defects/defect complexes in silicon device processing. Book of abstracts, fourth workshop

    SciTech Connect (OSTI)

    Not Available

    1994-06-01

    The 41 abstracts are arranged into 6 sessions: impurities and defects in commercial substrates: their sources, effects on material yield, and material quality; impurity gettering in silicon: limits and manufacturability of impurity gettering and in silicon solar cells; impurity/defect passivation; new concepts in silicon growth: improved initial quality and thin films; and silicon solar cell design opportunities.

  18. Chemical and structural effects on the high-temperature mechanical behavior of (1−x)(Na{sub 1/2}Bi{sub 1/2})TiO{sub 3}-xBaTiO{sub 3} ceramics

    SciTech Connect (OSTI)

    Deluca, Marco; Picht, Gunnar; Hoffmann, Michael J.; Rechtenbach, Annett; Töpfer, Jörg; Schader, Florian H.; Webber, Kyle G.

    2015-04-07

    Bismuth sodium titanate–barium titanate [(1−x)(Na{sub 1/2}Bi{sub 1/2})TiO{sub 3}-xBaTiO{sub 3}, NBT-100xBT] is one of the most well studied lead-free piezoelectric materials due in large part to the high field-induced strain attainable in compositions near the morphotropic phase boundary (x = 0.06). The BaTiO{sub 3}-rich side of the phase diagram, however, has not yet been as comprehensively studied, although it might be important for piezoelectric and positive temperature coefficient ceramic applications. In this work, we present a thorough study of BaTiO{sub 3}-rich NBT-100xBT by ferroelastic measurements, dielectric permittivity, X-ray diffraction, and Raman spectroscopy. We show that the high-temperature mechanical behavior, i.e., above the Curie temperature, T{sub C}, is influenced by local disorder, which appears also in pure BT. On the other hand, in NBT-100xBT (x < 1.0), lattice distortion, i.e., tetragonality, increases, and this impacts both the mechanical and dielectric properties. This increase in lattice distortion upon chemical substitution is counterintuitive by merely reasoning on the ionic size, and is due to the change in the A-O bond character induced by the Bi{sup 3+} electron lone pair, as indicated by Raman spectroscopy.

  19. Effects of boron-nitride substrates on Stone-Wales defect formation in graphene: An ab initio molecular dynamics study

    SciTech Connect (OSTI)

    Jin, K.; Xiao, H. Y. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Zhang, Y. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Weber, W. J., E-mail: wjweber@utk.edu [Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

    2014-05-19

    Ab initio molecular dynamics simulations are performed to investigate the effects of a boron nitride (BN) substrate on Stone-Wales (SW) defect formation and recovery in graphene. It is found that SW defects can be created by an off-plane recoil atom that interacts with the BN substrate. A mechanism with complete bond breakage for formation of SW defects in suspended graphene is also revealed for recoils at large displacement angles. In addition, further irradiation can result in recovery of the SW defects through a bond rotation mechanism in both graphene and graphene/BN, and the substrate has little effect on the recovery process. This study indicates that the BN substrate enhances the irradiation resistance of graphene.

  20. Topological defects in electric double layers of ionic liquids at carbon interfaces

    SciTech Connect (OSTI)

    Black, Jennifer M.; Okatan, Mahmut Baris; Feng, Guang; Cummings, Peter T.; Kalinin, Sergei V.; Balke, Nina

    2015-06-07

    The structure and properties of the electrical double layer in ionic liquids is of interest in a wide range of areas including energy storage, catalysis, lubrication, and many more. Theories describing the electrical double layer for ionic liquids have been proposed, however a full molecular level description of the double layer is lacking. To date, studies have been predominantly focused on ion distributions normal to the surface, however the 3D nature of the electrical double layer in ionic liquids requires a full picture of the double layer structure not only normal to the surface, but also in plane. Here we utilize 3D force mapping to probe the in plane structure of an ionic liquid at a graphite interface and report the direct observation of the structure and properties of topological defects. The observation of ion layering at structural defects such as step-edges, reinforced by molecular dynamics simulations, defines the spatial resolution of the method. Observation of defects allows for the establishment of the universality of ionic liquid behavior vs. separation from the carbon surface and to map internal defect structure. In conclusion, these studies offer a universal pathway for probing the internal structure of topological defects in soft condensed matter on the nanometer level in three dimensions.

  1. Topological defects in electric double layers of ionic liquids at carbon interfaces

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Black, Jennifer M.; Okatan, Mahmut Baris; Feng, Guang; Cummings, Peter T.; Kalinin, Sergei V.; Balke, Nina

    2015-06-07

    The structure and properties of the electrical double layer in ionic liquids is of interest in a wide range of areas including energy storage, catalysis, lubrication, and many more. Theories describing the electrical double layer for ionic liquids have been proposed, however a full molecular level description of the double layer is lacking. To date, studies have been predominantly focused on ion distributions normal to the surface, however the 3D nature of the electrical double layer in ionic liquids requires a full picture of the double layer structure not only normal to the surface, but also in plane. Here wemore » utilize 3D force mapping to probe the in plane structure of an ionic liquid at a graphite interface and report the direct observation of the structure and properties of topological defects. The observation of ion layering at structural defects such as step-edges, reinforced by molecular dynamics simulations, defines the spatial resolution of the method. Observation of defects allows for the establishment of the universality of ionic liquid behavior vs. separation from the carbon surface and to map internal defect structure. In conclusion, these studies offer a universal pathway for probing the internal structure of topological defects in soft condensed matter on the nanometer level in three dimensions.« less

  2. GaN: Defect and Device Issues

    SciTech Connect (OSTI)

    Pearton, S.J.; Ren, F.; Shul, R.J.; Zolper, J.C.

    1998-11-09

    The role of extended and point defects, and key impurities such as C, O and H, on the electrical and optical properties of GaN is reviewed. Recent progress in the development of high reliability contacts, thermal processing, dry and wet etching techniques, implantation doping and isolation and gate insulator technology is detailed. Finally, the performance of GaN-based electronic and photonic devices such as field effect transistors, UV detectors, laser diodes and light-emitting diodes is covered, along with the influence of process-induced or grown-in defects and impurities on the device physics.

  3. Interaction of defects and H in proton-irradiated GaN(Mg, H)

    SciTech Connect (OSTI)

    Myers, S.M.; Seager, C.H.

    2005-05-01

    Magnesium-doped, p-type GaN containing H was irradiated with MeV protons at room temperature and then annealed at a succession of increasing temperatures, with the behavior of defects and H in the material being followed through infrared absorption spectroscopy, nuclear-reaction analysis of the H, and photoluminescence. The results support the annihilation of Ga Frenkel pairs near room temperature, leaving the N interstitial and N vacancy to influence the elevated-temperature behavior. Multiple changes are observed with increasing temperature, ending with thermal release of the H above 700 deg. C. These effects are interpreted in terms of a succession of complexes involving Mg, the point defects, and H.

  4. A tale of two mechanisms. Strain-softening versus strain-hardening in single crystals under small stressed volumes

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bei, Hongbin; Xia, Yuzhi; Barabash, Rozaliya; Gao, Y. F.

    2015-08-10

    Pre-straining defect-free single crystals will introduce heterogeneous dislocation nucleation sources that reduce the measured strength from the theoretical value, while pre-straining bulk samples will lead to strain hardening. Their competition is investigated by nanoindentation pop-in tests on variously pre-strained Mo single crystals with several indenter radii (~micrometer). Pre-straining primarily shifts deformation mechanism from homogeneous dislocation nucleation to a stochastic behavior, while strain hardening plays a secondary role, as summarized in a master plot of pop-in strength versus normalized indenter radius.

  5. Examination of the mechanism for the reversible aging behavior at open circuit when changing the operating temperature of (La0.8Sr0.2)0.95 MnO3 electrodes

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Abernathy, Harry; Finklea, Harry O.; Mebane, David S.; Song, Xueyan; Chen, Yun; Gerdes, Kirk

    2015-02-17

    The aging behavior of symmetrical cells, consisting of either (La0.8Sr0.2)0.95 MnO3 (LSM) or La0.6Sr0.4Co0.2Fe0.8O3 (LSCF) electrodes screen printed on either 8 mol% yttria-stabilized zirconia (YSZ) or Ce0.8Gd0.2O2 (GDC) electrolyte substrates, is reported as the symmetrical cell is thermally cycled between 700 °C and 800 °C. For LSM, between 700 °C and 850 °C, the polarization resistance exhibits slow increases or decreases with time (on the order of days) after a quick change in temperature. When increasing the temperature, the polarization resistance decreases with time, and when decreasing the temperature, the polarization resistance slowly increases with time. In a previous work,more » the authors had explained these results with LSM by connecting the testing conditions to literature reports of surface analysis of LSM thin films which demonstrated a change in the amount of surface cation segregation as a function of temperature. In this work, TEM/EDS/XPS analysis of dense LSM pellets thermally cycled under the same conditions as the symmetrical cells does not indicate any significant reversible change in the surface composition of the LSM pellet between 700 °C and 800 °C. An alternative hypothesis is proposed to explain the relationship between polarization resistance and the LSM cation/anion vacancy concentrations controlled by the Schottky reaction. The timescale of aging behavior is related to the time necessary for the cations to move to or from the LSM surface to adjust to the new equilibrium at each temperature. Furthermore, the relevance in understanding the mechanism behind the aging behavior is emphasized with respect to fuel cell sample/stack modeling as well as to proper testing procedures for reaching reliable conclusions when comparing different electrode samples.« less

  6. Defect-free ultrahigh flux asymmetric membranes

    DOE Patents [OSTI]

    Pinnau, Ingo; Koros, William J.

    1990-01-01

    Defect-free, ultrahigh flux integrally-skinned asymmetric membranes having extremely thin surface layers (<0.2 .mu.m) comprised of glassy polymers are disclosed. The membranes are formed by casting an appropriate drope followed by forced convective evaporation of solvent to obtain a dry phase separated asymmetrical structure. The structure is then washed in a precipitation liquid and dried.

  7. Thermal stability of deep level defects induced by high energy proton irradiation in n-type GaN

    SciTech Connect (OSTI)

    Zhang, Z.; Farzana, E.; Sun, W. Y.; Arehart, A. R.; Ringel, S. A.; Chen, J.; Zhang, E. X.; Fleetwood, D. M.; Schrimpf, R. D.; McSkimming, B.; Kyle, E. C. H.; Speck, J. S.

    2015-10-21

    The impact of annealing of proton irradiation-induced defects in n-type GaN devices has been systematically investigated using deep level transient and optical spectroscopies. Moderate temperature annealing (>200–250 °C) causes significant reduction in the concentration of nearly all irradiation-induced traps. While the decreased concentration of previously identified N and Ga vacancy related levels at E{sub C} − 0.13 eV, 0.16 eV, and 2.50 eV generally followed a first-order reaction model with activation energies matching theoretical values for N{sub I} and V{sub Ga} diffusion, irradiation-induced traps at E{sub C} − 0.72 eV, 1.25 eV, and 3.28 eV all decrease in concentration in a gradual manner, suggesting a more complex reduction mechanism. Slight increases in concentration are observed for the N-vacancy related levels at E{sub C} − 0.20 eV and 0.25 eV, which may be due to the reconfiguration of other N-vacancy related defects. Finally, the observed reduction in concentrations of the states at E{sub C} − 1.25 and E{sub C} − 3.28 eV as a function of annealing temperature closely tracks the detailed recovery behavior of the background carrier concentration as a function of annealing temperature. As a result, it is suggested that these two levels are likely to be responsible for the underlying carrier compensation effect that causes the observation of carrier removal in proton-irradiated n-GaN.

  8. Gauge turbulence, topological defect dynamics, and condensation in Higgs models

    SciTech Connect (OSTI)

    Gasenzer, Thomas; McLerran, Larry; Pawlowski, Jan M.; Sexty, Dénes

    2014-07-28

    The real-time dynamics of topological defects and turbulent configurations of gauge fields for electric and magnetic confinement are studied numerically within a 2+1D Abelian Higgs model. It is shown that confinement is appearing in such systems equilibrating after a strong initial quench such as the overpopulation of the infrared modes. While the final equilibrium state does not support confinement, metastable vortex defect configurations appearing in the gauge field are found to be closely related to the appearance of physically observable confined electric and magnetic charges. These phenomena are seen to be intimately related to the approach of a non-thermal fixed point of the far-from-equilibrium dynamical evolution, signaled by universal scaling in the gauge-invariant correlation function of the Higgs field. Even when the parameters of the Higgs action do not support condensate formation in the vacuum, during this approach, transient Higgs condensation is observed. We discuss implications of these results for the far-from-equilibrium dynamics of Yang–Mills fields and potential mechanisms of how confinement and condensation in non-Abelian gauge fields can be understood in terms of the dynamics of Higgs models. These suggest that there is an interesting new class of dynamics of strong coherent turbulent gauge fields with condensates.

  9. Dark matter with topological defects in the Inert Doublet Model

    SciTech Connect (OSTI)

    Hindmarsh, Mark; Kirk, Russell; No, Jose Miguel; West, Stephen M.

    2015-05-26

    We examine the production of dark matter by decaying topological defects in the high mass region m{sub DM}≫m{sub W} of the Inert Doublet Model, extended with an extra U(1) gauge symmetry. The density of dark matter states (the neutral Higgs states of the inert doublet) is determined by the interplay of the freeze-out mechanism and the additional production of dark matter states from the decays of topological defects, in this case cosmic strings. These decays increase the predicted relic abundance compared to the standard freeze-out only case, and as a consequence the viable parameter space of the Inert Doublet Model can be widened substantially. In particular, for a given dark matter annihilation rate lower dark matter masses become viable. We investigate the allowed mass range taking into account constraints on the energy injection rate from the diffuse γ-ray background and Big Bang Nucleosynthesis, together with constraints on the dark matter properties coming from direct and indirect detection limits. For the Inert Doublet Model high-mass region, an inert Higgs mass as low as ∼200 GeV is permitted. There is also an upper limit on string mass per unit length, and hence the symmetry breaking scale, from the relic abundance in this scenario. Depending on assumptions made about the string decays, the limits are in the range 10{sup 12} GeV to 10{sup 13} GeV.

  10. Gauge turbulence, topological defect dynamics, and condensation in Higgs models

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Gasenzer, Thomas; McLerran, Larry; Pawlowski, Jan M.; Sexty, Dénes

    2014-07-28

    The real-time dynamics of topological defects and turbulent configurations of gauge fields for electric and magnetic confinement are studied numerically within a 2+1D Abelian Higgs model. It is shown that confinement is appearing in such systems equilibrating after a strong initial quench such as the overpopulation of the infrared modes. While the final equilibrium state does not support confinement, metastable vortex defect configurations appearing in the gauge field are found to be closely related to the appearance of physically observable confined electric and magnetic charges. These phenomena are seen to be intimately related to the approach of a non-thermal fixedmore » point of the far-from-equilibrium dynamical evolution, signaled by universal scaling in the gauge-invariant correlation function of the Higgs field. Even when the parameters of the Higgs action do not support condensate formation in the vacuum, during this approach, transient Higgs condensation is observed. We discuss implications of these results for the far-from-equilibrium dynamics of Yang–Mills fields and potential mechanisms of how confinement and condensation in non-Abelian gauge fields can be understood in terms of the dynamics of Higgs models. These suggest that there is an interesting new class of dynamics of strong coherent turbulent gauge fields with condensates.« less

  11. Thermal, chemical, and mechanical cookoff modeling

    SciTech Connect (OSTI)

    Hobbs, M.L.; Baer, M.R.; Gross, R.J.

    1994-08-01

    A Thermally Reactive, Elastic-plastic eXplosive code, TREX, has been developed to analyze coupled thermal, chemical and mechanical effects associated with cookoff simulation of confined or unconfined energetic materials. In confined systems, pressure buildup precedes thermal runaway, and unconfined energetic material expands to relieve high stress. The model was developed based on nucleation, decomposition chemistry, and elastic/plastic mechanical behavior of a material with a distribution of internal defects represented as clusters of spherical inclusions. A local force balance, with mass continuity constraints, forms the basis of the model requiring input of temperature and reacted gas fraction. This constitutive material model has been incorporated into a quasistatic mechanics code SANTOS as a material module which predicts stress history associated with a given strain history. The thermal-chemical solver XCHEM has been coupled to SANTOS to provide temperature and reacted gas fraction. Predicted spatial history variables include temperature, chemical species, solid/gas pressure, solid/gas density, local yield stress, and gas volume fraction. One-Dimensional Time to explosion (ODTX) experiments for TATB and PBX 9404 (HMX and NC) are simulated using global multistep kinetic mechanisms and the reactive elastic-plastic constitutive model. Pressure explosions, rather than thermal runaway, result in modeling slow cookoff experiments of confined conventional energetic materials such as TATB. For PBX 9404, pressure explosions also occur at fast cookoff conditions because of low temperature reactions of nitrocellulose resulting in substantial pressurization. A demonstrative calculation is also presented for reactive heat flow in a hollow, propellant-filled, stainless steel cylinder, representing a rocket motor. This example simulation show

  12. Migration of defect clusters and xenon-vacancy clusters in uranium dioxide

    SciTech Connect (OSTI)

    Chen, Dong; Gao, Fei; Deng, Huiqiu; Hu, Wangyu; Sun, Xin

    2014-07-01

    The possible transition states, minimum energy paths and migration mechanisms of defect clusters and xenon-vacancy defect clusters in uranium dioxide have been investigated using the dimer and the nudged elastic-band methods. The nearby O atom can easily hop into the oxygen vacancy position by overcoming a small energy barrier, which is much lower than that for the migration of a uranium vacancy. A simulation for a vacancy cluster consisting of two oxygen vacancies reveals that the energy barrier of the divacancy migration tends to decrease with increasing the separation distance of divacancy. For an oxygen interstitial, the migration barrier for the hopping mechanism is almost three times larger than that for the exchange mechanism. Xe moving between two interstitial sites is unlikely a dominant migration mechanism considering the higher energy barrier. A net migration process of a Xe-vacancy pair containing an oxygen vacancy and a xenon interstitial is identified by the NEB method. We expect the oxygen vacancy-assisted migration mechanism to possibly lead to a long distance migration of the Xe interstitials in UO2. The migration of defect clusters involving Xe substitution indicates that Xe atom migrating away from the uranium vacancy site is difficult.

  13. Surface defects characterization in a quantum wire by coherent phonons scattering

    SciTech Connect (OSTI)

    Rabia, M. S.

    2015-03-30

    The influence of surface defects on the scattering properties of elastic waves in a quasi-planar crystallographic waveguide is studied in the harmonic approximation using the matching method formalism. The structural model is based on three infinite atomic chains forming a perfect lattice surmounted by an atomic surface defect. Following the Landauer approach, we solve directly the Newton dynamical equation with scattering boundary conditions and taking into account the next nearest neighbour’s interaction. A detailed study of the defect-induced fluctuations in the transmission spectra is presented for different adatom masses. As in the electronic case, the presence of localized defect-induced states leads to Fano-like resonances. In the language of mechanical vibrations, these are called continuum resonances. Numerical results reveal the intimate relation between transmission spectra and localized defect states and provide a basis for the understanding of conductance spectroscopy experiments in disordered mesoscopic systems. The results could be useful for the design of phononic devices.

  14. Tuning Interfacial Thermal Conductance of Graphene Embedded in Soft Materials by Vacancy Defects

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Liu, Ying; Hu, Chongze; Huang, Jingsong; Sumpter, Bobby G; Qiao, Rui

    2015-01-01

    Nanocomposites based on graphene dispersed in matrices of soft materials are promising thermal management materials. Their effective thermal conductivity depends on both the thermal conductivity of graphene and the conductance of the thermal transport across graphene-matrix interfaces. Here we report on molecular dynamics simulations of the thermal transport across the interfaces between defected graphene and soft materials in two different modes: in the across mode, heat enters graphene from one side of its basal plane and leaves through the other side; in the non-across mode, heat enters or leaves a graphene simultaneously from both sides of its basal plane. Wemore » show that, as the density of vacancy defects in graphene increases from 0 to 8%, the conductance of the interfacial thermal transport in the across mode increases from 160.4 16 to 207.8 11 MW/m2K, while that in the non-across mode increases from 7.2 0.1 to 17.8 0.6 MW/m2K. The molecular mechanisms for these variations of thermal conductance are clarified by using the phonon density of states and structural characteristics of defected graphenes. On the basis of these results and effective medium theory, we show that it is possible to enhance the effective thermal conductivity of thermal nanocomposites by tuning the density of vacancy defects in graphene despite the fact that graphene s thermal conductivity always decreases as vacancy defects are introduced.« less

  15. Tuning Interfacial Thermal Conductance of Graphene Embedded in Soft Materials by Vacancy Defects

    SciTech Connect (OSTI)

    Liu, Ying; Hu, Chongze; Huang, Jingsong; Sumpter, Bobby G; Qiao, Rui

    2015-01-01

    Nanocomposites based on graphene dispersed in matrices of soft materials are promising thermal management materials. Their effective thermal conductivity depends on both the thermal conductivity of graphene and the conductance of the thermal transport across graphene-matrix interfaces. Here we report on molecular dynamics simulations of the thermal transport across the interfaces between defected graphene and soft materials in two different modes: in the across mode, heat enters graphene from one side of its basal plane and leaves through the other side; in the non-across mode, heat enters or leaves a graphene simultaneously from both sides of its basal plane. We show that, as the density of vacancy defects in graphene increases from 0 to 8%, the conductance of the interfacial thermal transport in the across mode increases from 160.4 16 to 207.8 11 MW/m2K, while that in the non-across mode increases from 7.2 0.1 to 17.8 0.6 MW/m2K. The molecular mechanisms for these variations of thermal conductance are clarified by using the phonon density of states and structural characteristics of defected graphenes. On the basis of these results and effective medium theory, we show that it is possible to enhance the effective thermal conductivity of thermal nanocomposites by tuning the density of vacancy defects in graphene despite the fact that graphene s thermal conductivity always decreases as vacancy defects are introduced.

  16. Apparatus and method for detecting defective fuel rods

    SciTech Connect (OSTI)

    Jester, A.; Lawrie, W.E.; Womack, R.E.

    1980-03-18

    Defects in the fuel rods of nuclear fuel assemblies are ascertained and located by ultrasonic means. The fuel assemblies are subjected to ultrasonic waves. Differences in fuel rod resonance is indicative of defective rods.

  17. Defect Analysis of Vehicle Compressed Natural Gas Composite Cylinder

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Defect Analysis of Vehicle Compressed Natural Gas Composite Cylinder A China Paper on Type 4 Cylinder, translated and presented by J. P. Hsu, PhD, Smart Chemistry Reason for Defect ...

  18. Comparative study of defect transition energy calculation methods...

    Office of Scientific and Technical Information (OSTI)

    Comparative study of defect transition energy calculation methods: The case of oxygen vacancy in In2O3 and ZnO Prev Next Title: Comparative study of defect transition energy ...

  19. Vacancy-Driven Anisotropic Defect Distribution in the Battery...

    Office of Scientific and Technical Information (OSTI)

    Vacancy-Driven Anisotropic Defect Distribution in the Battery-Cathode Material LiFePO4 Citation Details In-Document Search Title: Vacancy-Driven Anisotropic Defect Distribution in ...

  20. Excess Oxygen Defects in Layered Cuprates

    DOE R&D Accomplishments [OSTI]

    Lightfoot, P.; Pei, S. Y.; Jorgensen, J. D.; Manthiram, A.; Tang, X. X.; Goodenough, J. B.

    1990-09-01

    Neutron powder diffraction has been used to study the oxygen defect chemistry of two non-superconducting layered cuprates, La{sub 1. 25}Dy{sub 0.75}Cu{sub 3.75}F{sub 0.5}, having a T{sup {asterisk}}- related structure, and La{sub 1.85}Sr{sub 1.15}Cu{sub 2}O{sub 6.25}, having a structure related to that of the newly discovered double-layer superconductor La{sub 2-x}Sr{sub x}CaCu{sub 2}O{sub 6}. The role played by oxygen defects in determining the superconducting properties of layered cuprates is discussed.

  1. Automated Diagnosis and Classification of Steam Generator Tube Defects

    SciTech Connect (OSTI)

    Dr. Gabe V. Garcia

    2004-10-01

    A major cause of failure in nuclear steam generators is tube degradation. Tube defects are divided into seven categories, one of which is intergranular attack/stress corrosion cracking (IGA/SCC). Defects of this type usually begin on the outer surface of the tubes and propagate both inward and laterally. In many cases these defects occur at or near the tube support plates. Several different methods exist for the nondestructive evaluation of nuclear steam generator tubes for defect characterization.

  2. NREL Theorizes Defects Could Improve Solar Cells - News Releases | NREL

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    NREL Theorizes Defects Could Improve Solar Cells January 12, 2016 Drawing of of a good defect. Schematic of a 'good' defect (red cross), which helps collection of electrons from photo-absorber (n-Si), and blocks the holes, hence suppresses carriers recombination. Scientists at the Energy Department's National Renewable Energy Laboratory (NREL) are studying what may seem paradoxical - certain defects in silicon solar cells may actually improve their performance. The findings run counter to

  3. Room temperature deformation mechanisms of alumina particles observed from in situ micro-compression and atomistic simulations.

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sarobol, Pylin; Chandross, Michael E.; Carroll, Jay D.; Mook, William M.; Bufford, Daniel Charles; Boyce, Brad L.; Hattar, Khalid Mikhiel; Kotula, Paul G.; Hall, Aaron Christopher

    2015-09-22

    Aerosol deposition (AD) is a solid-state deposition technology that has been developed to fabricate ceramic coatings nominally at room temperature. Sub-micron ceramic particles accelerated by pressurized gas impact, deform, and consolidate on substrates under vacuum. Ceramic particle consolidation in AD coatings is highly dependent on particle deformation and bonding; these behaviors are not well understood. In this work, atomistic simulations and in situ micro-compressions in the scanning electron microscope, and the transmission electron microscope (TEM) were utilized to investigate fundamental mechanisms responsible for plastic deformation/fracture of particles under applied compression. Results showed that highly defective micron-sized alumina particles, initially containingmore » numerous dislocations or a grain boundary, exhibited no observable shape change before fracture/fragmentation. Simulations and experimental results indicated that particles containing a grain boundary only accommodate low strain energy per unit volume before crack nucleation and propagation. In contrast, nearly defect-free, sub-micron, single crystal alumina particles exhibited plastic deformation and fracture without fragmentation. Dislocation nucleation/motion, significant plastic deformation, and shape change were observed. Simulation and TEM in situ micro-compression results indicated that nearly defect-free particles accommodate high strain energy per unit volume associated with dislocation plasticity before fracture. As a result, the identified deformation mechanisms provide insight into feedstock design for AD.« less

  4. Room temperature deformation mechanisms of alumina particles observed from in situ micro-compression and atomistic simulations.

    SciTech Connect (OSTI)

    Sarobol, Pylin; Chandross, Michael E.; Carroll, Jay D.; Mook, William M.; Bufford, Daniel Charles; Boyce, Brad L.; Hattar, Khalid Mikhiel; Kotula, Paul G.; Hall, Aaron Christopher

    2015-09-22

    Aerosol deposition (AD) is a solid-state deposition technology that has been developed to fabricate ceramic coatings nominally at room temperature. Sub-micron ceramic particles accelerated by pressurized gas impact, deform, and consolidate on substrates under vacuum. Ceramic particle consolidation in AD coatings is highly dependent on particle deformation and bonding; these behaviors are not well understood. In this work, atomistic simulations and in situ micro-compressions in the scanning electron microscope, and the transmission electron microscope (TEM) were utilized to investigate fundamental mechanisms responsible for plastic deformation/fracture of particles under applied compression. Results showed that highly defective micron-sized alumina particles, initially containing numerous dislocations or a grain boundary, exhibited no observable shape change before fracture/fragmentation. Simulations and experimental results indicated that particles containing a grain boundary only accommodate low strain energy per unit volume before crack nucleation and propagation. In contrast, nearly defect-free, sub-micron, single crystal alumina particles exhibited plastic deformation and fracture without fragmentation. Dislocation nucleation/motion, significant plastic deformation, and shape change were observed. Simulation and TEM in situ micro-compression results indicated that nearly defect-free particles accommodate high strain energy per unit volume associated with dislocation plasticity before fracture. As a result, the identified deformation mechanisms provide insight into feedstock design for AD.

  5. Research Challenge 4: Defect-Carrier Interactions

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    4: Defect-Carrier Interactions - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs

  6. Investigating Extreme Ultraviolet Lithography Mask Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Investigating Extreme Ultraviolet Lithography Mask Defects Print Since the 1970s, the semiconductor industry has strived to shrink the cost and size of circuit patterns printed onto computer chips in accordance with Moore's law, doubling the number of transistors on a computer's central processing unit (CPU) every two years. The introduction of extreme ultraviolet (EUV) lithography, printing chips using 13-nm-wavelength light, opens the way to future generations of smaller, faster, and cheaper

  7. Investigating Extreme Ultraviolet Lithography Mask Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Investigating Extreme Ultraviolet Lithography Mask Defects Print Since the 1970s, the semiconductor industry has strived to shrink the cost and size of circuit patterns printed onto computer chips in accordance with Moore's law, doubling the number of transistors on a computer's central processing unit (CPU) every two years. The introduction of extreme ultraviolet (EUV) lithography, printing chips using 13-nm-wavelength light, opens the way to future generations of smaller, faster, and cheaper

  8. Investigating Extreme Ultraviolet Lithography Mask Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Investigating Extreme Ultraviolet Lithography Mask Defects Print Since the 1970s, the semiconductor industry has strived to shrink the cost and size of circuit patterns printed onto computer chips in accordance with Moore's law, doubling the number of transistors on a computer's central processing unit (CPU) every two years. The introduction of extreme ultraviolet (EUV) lithography, printing chips using 13-nm-wavelength light, opens the way to future generations of smaller, faster, and cheaper

  9. Investigating Extreme Ultraviolet Lithography Mask Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Investigating Extreme Ultraviolet Lithography Mask Defects Print Since the 1970s, the semiconductor industry has strived to shrink the cost and size of circuit patterns printed onto computer chips in accordance with Moore's law, doubling the number of transistors on a computer's central processing unit (CPU) every two years. The introduction of extreme ultraviolet (EUV) lithography, printing chips using 13-nm-wavelength light, opens the way to future generations of smaller, faster, and cheaper

  10. Investigating Extreme Ultraviolet Lithography Mask Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Investigating Extreme Ultraviolet Lithography Mask Defects Print Since the 1970s, the semiconductor industry has strived to shrink the cost and size of circuit patterns printed onto computer chips in accordance with Moore's law, doubling the number of transistors on a computer's central processing unit (CPU) every two years. The introduction of extreme ultraviolet (EUV) lithography, printing chips using 13-nm-wavelength light, opens the way to future generations of smaller, faster, and cheaper

  11. Investigating Extreme Ultraviolet Lithography Mask Defects

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Investigating Extreme Ultraviolet Lithography Mask Defects Print Since the 1970s, the semiconductor industry has strived to shrink the cost and size of circuit patterns printed onto computer chips in accordance with Moore's law, doubling the number of transistors on a computer's central processing unit (CPU) every two years. The introduction of extreme ultraviolet (EUV) lithography, printing chips using 13-nm-wavelength light, opens the way to future generations of smaller, faster, and cheaper

  12. Enhanced superconducting properties in Bi{sub 2}Sr{sub 2}Ca{sub 1}Cu{sub 2}O{sub y} by thermal and mechanical processing

    SciTech Connect (OSTI)

    Miller, D.J.; Holesinger, T.G.; Hettinger, J.D.; Goretta, K.C.; Gray, K.E.

    1992-08-01

    The practical application of high temperature superconductors has been limited by low transport currents in bulk samples. The effect of processing on transition temperature, grain boundary coupling, and flux pinning has been examined for Bi{sub 2}Sr{sub 2}Ca{sub 1}Cu{sub 2}O{sub y}. Enhancement of {Tc} based on composition can be achieved by control of crystallization and subsequent annealing processes while thermo-mechanical processing may be used to modify weak link and flux pinning behavior. The microstructural basis for these changes are related to the composition of the superconducting phase and the presence of defects associated with deformation processing. The implications of these results on conductor development are related to the selection of alloy composition for optimum transition temperature and controlled thermo-mechanical processing which yields a uniform defect structure.

  13. Characterization of electrically-active defects in ultraviolet light-emitting diodes with laser-based failure analysis techniques

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Miller, Mary A.; Tangyunyong, Paiboon; Edward I. Cole, Jr.

    2016-01-12

    In this study, laser-based failure analysis techniques demonstrate the ability to quickly and non-intrusively screen deep ultraviolet light-emitting diodes(LEDs) for electrically-active defects. In particular, two laser-based techniques, light-induced voltage alteration and thermally-induced voltage alteration, generate applied voltage maps (AVMs) that provide information on electrically-active defect behavior including turn-on bias, density, and spatial location. Here, multiple commercial LEDs were examined and found to have dark defect signals in the AVM indicating a site of reduced resistance or leakage through the diode. The existence of the dark defect signals in the AVM correlates strongly with an increased forward-bias leakage current. This increasedmore » leakage is not present in devices without AVM signals. Transmission electron microscopyanalysis of a dark defect signal site revealed a dislocation cluster through the pn junction. The cluster included an open core dislocation. Even though LEDs with few dark AVM defect signals did not correlate strongly with power loss, direct association between increased open core dislocation densities and reduced LED device performance has been presented elsewhere [M. W. Moseley et al., J. Appl. Phys. 117, 095301 (2015)].« less

  14. A single-molecule approach to ZnO defect studies: Single photons and single defects

    SciTech Connect (OSTI)

    Jungwirth, N. R.; Pai, Y. Y.; Chang, H. S.; MacQuarrie, E. R.; Nguyen, K. X.; Fuchs, G. D.

    2014-07-28

    Investigations that probe defects one at a time offer a unique opportunity to observe properties and dynamics that are washed out of ensemble measurements. Here, we present confocal fluorescence measurements of individual defects in ZnO nanoparticles and sputtered films that are excited with sub-bandgap energy light. Photon correlation measurements yield both antibunching and bunching, indicative of single-photon emission from isolated defects that possess a metastable shelving state. The single-photon emission is in the range of ?560720?nm and typically exhibits two broad spectral peaks separated by ?150?meV. The excited state lifetimes range from 1 to 13?ns, consistent with the finite-size and surface effects of nanoparticles and small grains. We also observe discrete jumps in the fluorescence intensity between a bright state and a dark state. The dwell times in each state are exponentially distributed and the average dwell time in the bright (dark) state does (may) depend on the power of the exciting laser. Taken together, our measurements demonstrate the utility of a single-molecule approach to semiconductor defect studies and highlight ZnO as a potential host material for single-defect based applications.

  15. Native defects in Tl6SI4: Density functional calculations

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shi, Hongliang; Du, Mao -Hua

    2015-05-05

    In this study, Tl6SI4 is a promising room-temperature semiconductor radiation detection material. Here, we report density functional calculations of native defects and dielectric properties of Tl6SI4. Formation energies and defect levels of native point defects and defect complexes are calculated. Donor-acceptor defect complexes are shown to be abundant in Tl6SI4. High resistivity can be obtained by Fermi level pinning by native donor and acceptor defects. Deep donors that are detrimental to electron transport are identified and methods to mitigate such problem are discussed. Furthermore, we show that mixed ionic-covalent character of Tl6SI4 gives rise to enhanced Born effective charges andmore » large static dielectric constant, which provides effective screening of charged defects and impurities.« less

  16. The role of point defects and defect complexes in silicon device processing. Summary report and papers

    SciTech Connect (OSTI)

    Sopori, B.; Tan, T.Y.

    1994-08-01

    This report is a summary of a workshop hold on August 24--26, 1992. Session 1 of the conference discussed characteristics of various commercial photovoltaic silicon substrates, the nature of impurities and defects in them, and how they are related to the material growth. Session 2 on point defects reviewed the capabilities of theoretical approaches to determine equilibrium structure of defects in the silicon lattice arising from transitional metal impurities and hydrogen. Session 3 was devoted to a discussion of the surface photovoltaic method for characterizing bulk wafer lifetimes, and to detailed studies on the effectiveness of various gettering operations on reducing the deleterious effects of transition metals. Papers presented at the conference are also included in this summary report.

  17. Method of identifying defective particle coatings

    DOE Patents [OSTI]

    Cohen, Mark E.; Whiting, Carlton D.

    1986-01-01

    A method for identifying coated particles having defective coatings desig to retain therewithin a build-up of gaseous materials including: (a) Pulling a vacuum on the particles; (b) Backfilling the particles at atmospheric pressure with a liquid capable of wetting the exterior surface of the coated particles, said liquid being a compound which includes an element having an atomic number higher than the highest atomic number of any element in the composition which forms the exterior surface of the particle coating; (c) Drying the particles; and (d) Radiographing the particles. By television monitoring, examination of the radiographs is substantially enhanced.

  18. The role of variation, error, and complexity in manufacturing defects

    SciTech Connect (OSTI)

    Hinckley, C.M.; Barkan, P.

    1994-03-01

    Variation in component properties and dimensions is a widely recognized factor in product defects which can be quantified and controlled by Statistical Process Control methodologies. Our studies have shown, however, that traditional statistical methods are ineffective in characterizing and controlling defects caused by error. The distinction between error and variation becomes increasingly important as the target defect rates approach extremely low values. Motorola data substantiates our thesis that defect rates in the range of several parts per million can only be achieved when traditional methods for controlling variation are combined with methods that specifically focus on eliminating defects due to error. Complexity in the product design, manufacturing processes, or assembly increases the likelihood of defects due to both variation and error. Thus complexity is also a root cause of defects. Until now, the absence of a sound correlation between defects and complexity has obscured the importance of this relationship. We have shown that assembly complexity can be quantified using Design for Assembly (DFA) analysis. High levels of correlation have been found between our complexity measures and defect data covering tens of millions of assembly operations in two widely different industries. The availability of an easily determined measure of complexity, combined with these correlations, permits rapid estimation of the relative defect rates for alternate design concepts. This should prove to be a powerful tool since it can guide design improvement at an early stage when concepts are most readily modified.

  19. Direct Observation of Defect Range and Evolution in Ion-Irradiated Single Crystalline Ni and Ni Binary Alloys

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lu, Chenyang; Jin, Ke; Béland, Laurent K.; Zhang, Feifei; Yang, Taini; Qiao, Liang; Zhang, Yanwen; Bei, Hongbin; Christen, Hans M.; Stoller, Roger E.; et al

    2016-02-01

    We report that energetic ions have been widely used to evaluate the irradiation tolerance of structural materials for nuclear power applications and to modify material properties. It is important to understand the defect production, annihilation and migration mechanisms during and after collision cascades. In this study, single crystalline pure nickel metal and single-phase concentrated solid solution alloys of 50%Ni50%Co (NiCo) and 50%Ni50%Fe (NiFe) without apparent preexisting defect sinks were employed to study defect dynamics under ion irradiation. Both cross-sectional transmission electron microscopy characterization (TEM) and Rutherford backscattering spectrometry channeling (RBS-C) spectra show that the range of radiation-induced defect clusters farmore » exceed the theoretically predicted depth in all materials after high-dose irradiation. Defects in nickel migrate faster than in NiCo and NiFe. Both vacancy-type stacking fault tetrahedra (SFT) and interstitial loops coexist in the same region, which is consistent with molecular dynamics simulations. Kinetic activation relaxation technique (k-ART) simulations for nickel showed that small vacancy clusters, such as di-vacancies and tri-vacancies, created by collision cascades are highly mobile, even at room temperature. The slower migration of defects in the alloy along with more localized energy dissipation of the displacement cascade may lead to enhanced radiation tolerance.« less

  20. A MULTIDIMENSIONAL AND MULTIPHYSICS APPROACH TO NUCLEAR FUEL BEHAVIOR SIMULATION

    SciTech Connect (OSTI)

    R. L. Williamson; J. D. Hales; S. R. Novascone; M. R. Tonks; D. R. Gaston; C. J. Permann; D. Andrs; R. C. Martineau

    2012-04-01

    Important aspects of fuel rod behavior, for example pellet-clad mechanical interaction (PCMI), fuel fracture, oxide formation, non-axisymmetric cooling, and response to fuel manufacturing defects, are inherently multidimensional in addition to being complicated multiphysics problems. Many current modeling tools are strictly 2D axisymmetric or even 1.5D. This paper outlines the capabilities of a new fuel modeling tool able to analyze either 2D axisymmetric or fully 3D models. These capabilities include temperature-dependent thermal conductivity of fuel; swelling and densification; fuel creep; pellet fracture; fission gas release; cladding creep; irradiation growth; and gap mechanics (contact and gap heat transfer). The need for multiphysics, multidimensional modeling is then demonstrated through a discussion of results for a set of example problems. The first, a 10-pellet rodlet, demonstrates the viability of the solution method employed. This example highlights the effect of our smeared cracking model and also shows the multidimensional nature of discrete fuel pellet modeling. The second example relies on our the multidimensional, multiphysics approach to analyze a missing pellet surface problem. As a final example, we show a lower-length-scale simulation coupled to a continuum-scale simulation.

  1. Direct imaging of crystal structure and defects in metastable Ge{sub 2}Sb{sub 2}Te{sub 5} by quantitative aberration-corrected scanning transmission electron microscopy

    SciTech Connect (OSTI)

    Ross, Ulrich; Lotnyk, Andriy Thelander, Erik; Rauschenbach, Bernd

    2014-03-24

    Knowledge about the atomic structure and vacancy distribution in phase change materials is of foremost importance in order to understand the underlying mechanism of fast reversible phase transformation. In this Letter, by combining state-of-the-art aberration-corrected scanning transmission electron microscopy with image simulations, we are able to map the local atomic structure and composition of a textured metastable Ge{sub 2}Sb{sub 2}Te{sub 5} thin film deposited by pulsed laser deposition with excellent spatial resolution. The atomic-resolution scanning transmission electron microscopy investigations display the heterogeneous defect structure of the Ge{sub 2}Sb{sub 2}Te{sub 5} phase. The obtained results are discussed. Highly oriented Ge{sub 2}Sb{sub 2}Te{sub 5} thin films appear to be a promising approach for further atomic-resolution investigations of the phase change behavior of this material class.

  2. Evolution of microstructural defects with strain effects in germanium nanocrystals synthesized at different annealing temperatures

    SciTech Connect (OSTI)

    Zhang, Minghuan; Cai, Rongsheng; Zhang, Yujuan; Wang, Chao; Wang, Yiqian; Ross, Guy G.; Barba, David

    2014-07-01

    Ge nanocrystals (Ge-ncs) were produced by implantation of {sup 74}Ge{sup +} into a SiO{sub 2} film on (100) Si, followed by high-temperature annealing from 700 °C to 1100 °C. Transmission electron microscopy (TEM) studies show that the average size of Ge-ncs increases with the annealing temperature. High-resolution TEM (HRTEM) investigations reveal the presence of planar and linear defects in the formed Ge-ncs, whose relative concentrations are determined at each annealing temperature. The relative concentration of planar defects is almost independent of the annealing temperature up to 1000 °C. However, from 1000 °C to 1100 °C, its concentration decreases dramatically. For the linear defects, their concentration varies considerably with the annealing temperatures. In addition, by measuring the interplanar spacing of Ge-ncs from the HRTEM images, a strong correlation is found between the dislocation percentage and the stress field intensity. Our results provide fundamental insights regarding both the presence of microstructural defects and the origin of the residual stress field within Ge-ncs, which can shed light on the fabrication of Ge-ncs with quantified crystallinity and appropriate size for the advanced Ge-nc devices. - Highlights: • Growth of Ge nanocrystals at different annealing temperatures was investigated. • Strain field has great effects on the formation of dislocations. • Different mechanisms are proposed to explain growth regimes of Ge nanocrystals.

  3. Specific features of defect and mass transport in concentrated fcc alloys

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Osetsky, Yuri N.; Béland, Laurent K.; Stoller, Roger E.

    2016-06-15

    We report that diffusion and mass transport are basic properties that control materials performance, such as phase stability, solute decomposition and radiation tolerance. While understanding diffusion in dilute alloys is a mature field, concentrated alloys are much less studied. Here, atomic-scale diffusion and mass transport via vacancies and interstitial atoms are compared in fcc Ni, Fe and equiatomic Ni-Fe alloy. High temperature properties were determined using conventional molecular dynamics on the microsecond timescale, whereas the kinetic activation-relaxation (k-ART) approach was applied at low temperatures. The k-ART was also used to calculate transition states in the alloy and defect transport coefficients.more » The calculations reveal several specific features. For example, vacancy and interstitial defects migrate via different alloy components, diffusion is more sluggish in the alloy and, notably, mass transport in the concentrated alloy cannot be predicted on the basis of diffusion in its pure metal counterparts. Lastly, the percolation threshold for the defect diffusion in the alloy is discussed and it is suggested that this phenomenon depends on the properties and diffusion mechanisms of specific defects.« less

  4. Mapping hidden aircraft defects with dual-band infrared computed tomography

    SciTech Connect (OSTI)

    Del Grande, N.K.; Durbin, P.F.

    1995-04-03

    Infrared computed tomography (IRCT) is a promising, non-contact, nondestructive evaluation tool used to inspect the mechanical integrity of large structures. We describe on-site, proof-of-principle demonstrations of IRCt to inspect defective metallic and composite structures. The IRCT system captures time sequences of heat-stimulated, dual-band infrared (DBIR) thermal maps for flash-heated and naturally-heated targets. Our VIEW algorithms produce co-registered thermal, thermal inertia, and thermal-timegram maps from which we quantify the percent metal-loss corrosion damage for airframes and the defect sites, depths, and host-material physical properties for composite structures. The IRCT method clarifies the type of defect, e.g., corrosion, fabrication, foreign-material insert, delamination, unbond, void, and quantifies the amount of damage from the defect, e.g., the percent metal-loss from corrosion in metal structures, the depth, thickness, and areal extent of heat damage in multi-layered composite materials. Potential long-term benefits of IRCT technology are in-service monitoring of incipient corrosion damage, to avoid catastrophic failure and production-monitoring of cure states for composite materials.

  5. Computer programs for eddy-current defect studies

    SciTech Connect (OSTI)

    Pate, J. R.; Dodd, C. V.

    1990-06-01

    Several computer programs to aid in the design of eddy-current tests and probes have been written. The programs, written in Fortran, deal in various ways with the response to defects exhibited by four types of probes: the pancake probe, the reflection probe, the circumferential boreside probe, and the circumferential encircling probe. Programs are included which calculate the impedance or voltage change in a coil due to a defect, which calculate and plot the defect sensitivity factor of a coil, and which invert calculated or experimental readings to obtain the size of a defect. The theory upon which the programs are based is the Burrows point defect theory, and thus the calculations of the programs will be more accurate for small defects. 6 refs., 21 figs.

  6. Power spectrum analysis for defect screening in integrated circuit devices

    DOE Patents [OSTI]

    Tangyunyong, Paiboon; Cole Jr., Edward I.; Stein, David J.

    2011-12-01

    A device sample is screened for defects using its power spectrum in response to a dynamic stimulus. The device sample receives a time-varying electrical signal. The power spectrum of the device sample is measured at one of the pins of the device sample. A defect in the device sample can be identified based on results of comparing the power spectrum with one or more power spectra of the device that have a known defect status.

  7. Supercomputers Help Identify Efficiency-Limiting Defects in LEDs

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Supercomputers Help Identify Efficiency-Limiting Defects in LEDs Supercomputers Help Identify Efficiency-Limiting Defects in LEDs July 18, 2016 Contact: Kathy Kincade, kkincade@lbl.gov, +1 510 495 2124 ChrisVanDerWalle PressReleaseImage A conceptual illustration of how defects in a crystal lattice might contribute to nonradiative recombination of electrons and holes in LEDs. Image: Peter Allen Light-emitting diodes (LEDs) have found firm footing in the lighting industry, not just for blue and

  8. Center for Defect Physics in Structural Materials - CDP

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    LLNL Research Atomic and magnetic interactions treated using ab initio density functional theory (DFT). Quantum Monte Carlo (QMC) calculations of defect structures and energetics...

  9. Influence of Surface Orientation and Defects on Early Stage Oxidation...

    Office of Scientific and Technical Information (OSTI)

    Influence of Surface Orientation and Defects on Early Stage Oxidation and Ultrathin Oxide Growth on Pure Copper Citation Details In-Document Search Title: Influence of Surface ...

  10. Suppress Carrier Recombination by Introducing Defects: The Case...

    Office of Scientific and Technical Information (OSTI)

    The Case of Si Solar Cell Citation Details In-Document Search Title: Suppress Carrier Recombination by Introducing Defects: The Case of Si Solar Cell Authors: Liu, Yuanyue ; ...

  11. Simple intrinsic defects in GaAs : numerical supplement.

    SciTech Connect (OSTI)

    Schultz, Peter Andrew

    2012-04-01

    This Report presents numerical tables summarizing properties of intrinsic defects in gallium arsenide, GaAs, as computed by density functional theory. This Report serves as a numerical supplement to the results published in: P.A. Schultz and O.A. von Lilienfeld, 'Simple intrinsic defects in GaAs', Modelling Simul. Mater. Sci Eng., Vol. 17, 084007 (2009), and intended for use as reference tables for a defect physics package in device models. The numerical results for density functional theory calculations of properties of simple intrinsic defects in gallium arsenide are presented.

  12. The Interplay Between Surface Hydrogen and Defect Propagation...

    Office of Scientific and Technical Information (OSTI)

    The Interplay Between Surface Hydrogen and Defect Propagation in Si Nanowire Kinking Superstructures Citation Details In-Document Search Title: The Interplay Between Surface ...

  13. Thermal Hydraulic Characteristics of Fuel Defects in Plate Type...

    Office of Scientific and Technical Information (OSTI)

    in Plate Type Nuclear Research Reactors Citation Details In-Document Search Title: Thermal Hydraulic Characteristics of Fuel Defects in Plate Type Nuclear Research Reactors ...

  14. Microstructure and Mechanical Properties of n-irradiated Fe-Cr Model Alloys

    SciTech Connect (OSTI)

    Matijasevic, Milena; Al Mazouzi, Abderrahim

    2008-07-01

    High chromium ( 9-12 wt %) ferritic/martensitic steels are candidate structural materials for future fusion reactors and other advanced systems such as accelerator driven systems (ADS). Their use for these applications requires a careful assessment of their mechanical stability under high energy neutron irradiation and in aggressive environments. In particular, the Cr concentration has been shown to be a key parameter to be optimized in order to guarantee the best corrosion and swelling resistance, together with the least embrittlement. In this work, the characterization of the neutron irradiated Fe-Cr model alloys with different Cr % with respect to microstructure and mechanical tests will be presented. The behavior of Fe-Cr alloys have been studied using tensile tests at different temperature range ( from -160 deg. C to 300 deg. C). Irradiation-induced microstructure changes have been studied by TEM for two different irradiation doses at 300 deg. C. The density and the size distribution of the defects induced have been determined. The tensile test results indicate that Cr content affects the hardening behavior of Fe-Cr binary alloys. Hardening mechanisms are discussed in terms of Orowan type of approach by correlating TEM data to the measured irradiation hardening. (authors)

  15. Ab initio study of point defects near stacking faults in 3C-SiC

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Xi, Jianqi; Liu, Bin; Zhang, Yanwen; Weber, William J.

    2016-07-02

    Interactions between point defects and stacking faults in 3C-SiC are studied using an ab initio method based on density functional theory. The results show that the discontinuity of the stacking sequence considerably affects the configurations and behavior of intrinsic defects, especially in the case of silicon interstitials. The existence of an intrinsic stacking fault (missing a C-Si bilayer) shortens the distance between the tetrahedral-center site and its second-nearest-neighboring silicon layer, making the tetrahedral silicon interstitial unstable. Instead of a tetrahedral configuration with four C neighbors, a pyramid-like interstitial structure with a defect state within the band gap becomes a stablemore » configuration. In addition, orientation rotation occurs in the split interstitials that has diverse effects on the energy landscape of silicon and carbon split interstitials in the stacking fault region. Moreover, our analyses of ionic relaxation and electronic structure of vacancies show that the built-in strain field, owing to the existence of the stacking fault, makes the local environment around vacancies more complex than that in the bulk.« less

  16. Density functional study of H-induced defects as nucleation sites in hybrid carbon nanomaterials.

    SciTech Connect (OSTI)

    Barnard, A.; Terranova, M. L.; Rossi, M.; Dip. Scienze e Tecnologie Chimiche; Dip di Energetica; INFM

    2005-01-01

    Recently we have reported on the growth of an exciting new class of hybrid nanostructured carbon materials, coupling nanosized diamond with single-walled carbon nanotubes. The inner structures were shown to be single-walled C nanotubes or bundles of single-walled nanotubes up to 15 {micro}m long, and the outer deposit consisted of faceted diamond crystallites with diameters in the range of 20-100 nm. To aid in understanding the mechanisms responsible for the formation of such materials, the present study uses density functional theory to examine the role of atomic hydrogen in creating localized sp{sup 3} hybridized defects on the outer wall of carbon nanotubes. The results illustrate that certain absorption configurations may produce defects containing dangling carbon bonds, and thus promote the formation of suitable sites for nanodiamond nucleation.

  17. Surface defect states in MBE-grown CdTe layers

    SciTech Connect (OSTI)

    Olender, Karolina; Wosinski, Tadeusz; Fronc, Krzysztof; Tkaczyk, Zbigniew; Chusnutdinow, Sergij; Karczewski, Grzegorz

    2014-02-21

    Semiconductor surface plays an important role in the technology of semiconductor devices. In the present work we report results of our deep-level transient spectroscopy (DLTS) investigations of surface defect states in nitrogen doped p-type CdTe layers grown by the molecular-beam epitaxy technique. We observed a deep-level trap associated with surface states, with the activation energy for hole emission of 0.33 eV. DLTS peak position in the spectra for this trap, and its ionization energy, strongly depend on the electric field. Our measurements allow to determine a mechanism responsible for the enhancement of hole emission rate from the traps as the phonon-assisted tunnel effect. Density of surface defect states significantly decreased as a result of passivation in ammonium sulfide. Capacitance-voltage measurements confirmed the results obtained by the DLTS technique.

  18. Oxide Film and Porosity Defects in Magnesium Alloy AZ91

    SciTech Connect (OSTI)

    Wang, Liang [Mississippi State University (MSU); Rhee, Hongjoo [Mississippi State University (MSU); Felicelli, Sergio D. [Mississippi State University (MSU); Sabau, Adrian S [ORNL; Berry, John T. [Mississippi State University (MSU)

    2009-01-01

    Porosity is a major concern in the production of light metal parts. This work aims to identify some of the mechanisms of microporosity formation in magnesium alloy AZ91. Microstructure analysis was performed on several samples obtained from gravity-poured ingots in graphite plate molds. Temperature data during cooling was acquired with type K thermocouples at 60 Hz at three locations of each casting. The microstructure of samples extracted from the regions of measured temperature was then characterized with optical metallography. Tensile tests and conventional four point bend tests were also conducted on specimens cut from the cast plates. Scanning electron microscopy was then used to observe the microstructure on the fracture surface of the specimens. The results of this study revealed the existence of abundant oxide film defects, similar to those observed in aluminum alloys. Remnants of oxide films were detected on some pore surfaces, and folded oxides were observed in fracture surfaces indicating the presence of double oxides entrained during pouring.

  19. Simple intrinsic defects in InAs : numerical predictions.

    SciTech Connect (OSTI)

    Schultz, Peter Andrew

    2013-03-01

    This Report presents numerical tables summarizing properties of intrinsic defects in indium arsenide, InAs, as computed by density functional theory using semi-local density functionals, intended for use as reference tables for a defect physics package in device models.

  20. Temperature dependence of carrier capture by defects in gallium arsenide

    SciTech Connect (OSTI)

    Wampler, William R.; Modine, Normand A.

    2015-08-01

    This report examines the temperature dependence of the capture rate of carriers by defects in gallium arsenide and compares two previously published theoretical treatments of this based on multi phonon emission (MPE). The objective is to reduce uncertainty in atomistic simulations of gain degradation in III-V HBTs from neutron irradiation. A major source of uncertainty in those simulations is poor knowledge of carrier capture rates, whose values can differ by several orders of magnitude between various defect types. Most of this variation is due to different dependence on temperature, which is closely related to the relaxation of the defect structure that occurs as a result of the change in charge state of the defect. The uncertainty in capture rate can therefore be greatly reduced by better knowledge of the defect relaxation.

  1. Analysis of the cracking behavior of Alloy 600 RVH penetrations. Part 1: Stress analysis and K computation

    SciTech Connect (OSTI)

    Bhandari, S.; Vagner, J.; Garriga-Majo, D.; Amzallag, C.; Faidy, C.

    1996-12-01

    The study presented here concerns the analysis of crack propagation behavior in the Alloy 600 RVH penetrations used in the French 900 and 1300 MWe PWR series. The damage mechanism identified is clearly the SCC in primary water environment. Consequently the analysis presented here is based on: (1) the stress analysis carried out on the RVH penetrations, (2) the SCC model developed in primary water environment and at the operating temperatures, and (3) the fracture mechanics concepts. The different steps involved in the study are: (1) Evaluation of the stress state for the case of the peripheral configuration of RVH penetrations; the case retained here is that of a conic tube with stress analysis conducted using multi-pass welding. (2) Computation of the influence functions (IF) for a polynomial stress distribution in case of a tube of Ri/t ratio (internal diameter/thickness) corresponding to that of an RVH penetration. (3) Establishment of a propagation law based on study and review of data available in the literature. (4) Conduction of a parametric study of crack propagation using several initial defects. (5) Analysis of crack propagation of defects observed in various reactors and comparison with measured propagation rates. This paper (Part 1) deals with the first two steps namely Stress Analysis and K Computation.

  2. Obtaining strong ferromagnetism in diluted Gd-doped ZnO thin films through controlled Gd-defect complexes

    SciTech Connect (OSTI)

    Roqan, I. S. Venkatesh, S.; Zhang, Z.; Hussain, S.; Bantounas, I.; Flemban, T. H.; Schwingenschlogl, U.; Franklin, J. B.; Zou, B.; Petrov, P. K.; Ryan, M. P.; Alford, N. M.; Lee, J.-S.

    2015-02-21

    We demonstrate the fabrication of reproducible long-range ferromagnetism (FM) in highly crystalline Gd{sub x}Zn{sub 1−x}O thin films by controlling the defects. Films are grown on lattice-matched substrates by pulsed laser deposition at low oxygen pressures (≤25 mTorr) and low Gd concentrations (x ≤ 0.009). These films feature strong FM (10 μ{sub B} per Gd atom) at room temperature. While films deposited at higher oxygen pressure do not exhibit FM, FM is recovered by post-annealing these films under vacuum. These findings reveal the contribution of oxygen deficiency defects to the long-range FM. We demonstrate the possible FM mechanisms, which are confirmed by density functional theory study, and show that Gd dopants are essential for establishing FM that is induced by intrinsic defects in these films.

  3. Research in Hydrogen Passivation of Defects and Impurities in Silicon: Final Report, 2 May 2000-2 July 2003

    SciTech Connect (OSTI)

    Ashok, S.

    2004-12-01

    This subcontract report describes hydrogenating Si samples by different methods such as low-energy implantation, electron cyclotron resonance (ECR) plasma, and thermal diffusion. The samples were provided through NREL. The experimental work, carried out at Penn State, involved the study of hydrogen interaction with defects, trapping, migration, and formation of complexes. The principal vehicle for the latter study was ion implantation, and the intent to understand mechanisms of defect passivation and activation by hydrogen. NREL implemented a study of hydrogen passivation of impurities and defects in silicon solar cells. The work included theoretical and experimental components performed at different universities. The theoretical studies consisted of the calculation of the structure and parameters related to hydrogen diffusion and interactions of hydrogen with transition-metal impurities in silicon. Experimental studies involved measurements of hydrogen and hydrogen-impurity complexes, and diffusion properties of various species of hydrogen in Si. The experimental work at Penn State included introduction of hydrogen in a variety of PV Si by ECR plasma, low-energy ion implantation, and thermal diffusion. The specific tasks were the evaluation of hydrogen interaction with defects engineered by ion implantation; defect passivation, activation, and migration in hydrogenated Si under thermal anneal; and electrical activity of hydrogen-impurity complexes. Electrical characterization entailed I-V and C-V measurements, spreading resistance, and deep-level transient spectroscopy (DLTS).

  4. Mechanical and substructural response of incipiently spalled 316L stainless steel.

    SciTech Connect (OSTI)

    Gray, G. T. , III; Bourne, N. K.

    2004-01-01

    316L SS samples were shock prestrained to a peak stress of 6.6 GPa using a 0.75 {mu}sec pulse duration square-topped shock profile and 'soft' recovered while a second sample was similarly shock loaded, without spall momentum trapping, leading to incipient spall damage. Shock prestraining and 'soft' shock recovery to 6.6 GPa led to an increase in the post-shock flow strength of 316L SS by {approx}100 MPa over the starting material while the reload yield strength of the incipiently spall damaged sample increased by {approx}200 MPa. In this paper the sequential processes of defect generation and damage operative during the shock prestraining, spallation, and reloading of incipiently spalled 316L SS is presented. The influence of shock prestraining, using both triangular-wave loading, via both direct HE and triangular-wave pulses on a gas launcher, as well as 'square-topped' shock prestaining via conventional flyer-plate impact, is crucial to understanding the shock hardening and spallation responses of materials(Gray III, et al. [2003]). The development of predictive constitutive models to describe the mechanical response of incipiently damaged metals and alloys requires an understanding of the defect generation and storage due to shock hardening as well as the additional plasticity and damage evolution during spallation. In this paper the influence of shock-wave prestraining on the process of shock hardening and thereafterthe hardeningand damage evolution accompanying incipient spallation in 316L stainless steel (316L SS) on post-shock constitutive behavior is examined using 'soft' recovery techniques and mechanical behavior measurements.

  5. Growth, defect structure, and THz application of stoichiometric lithium niobate

    SciTech Connect (OSTI)

    Lengyel, K.; Péter, Á.; Kovács, L.; Corradi, G.; Dravecz, G.; Hajdara, I.; Szaller, Zs.; Polgár, K.; Pálfalvi, L.; Unferdorben, M.; Hebling, J.

    2015-12-15

    preferred for most nonlinear optical applications apart holography and have the additional advantage to minimize the absorption even in the far-infrared (THz) range. The review also provides a discussion on the progress made in the characterization of non-stoichiometry related intrinsic and extrinsic defect structures in doped LN crystals, with emphasis on ODR-ion-doped and/or closely stoichiometric systems, based on both spectroscopic measurements and theoretical modelling, including the results of first principles quantum mechanical calculations on hydroxyl defects. It will also be shown that new perspective applications, e.g., the generation of high energy THz pulses with energies on the tens-of-mJ scale, are feasible with ODR-doped sLN crystals if optimal conditions, including the contact grating technique, are applied.

  6. Understanding the Irradiation Behavior of Zirconium Carbide

    SciTech Connect (OSTI)

    Motta, Arthur; Sridharan, Kumar; Morgan, Dane; Szlufarska, Izabela

    2013-10-11

    -induced microstructures mapped spatially and temporally, microstructural evolution during post-irradiation annealing, and atomistic modeling of defect formation and transport energetics will provide new, critical understanding about property changes in ZrC. The behavior of materials under irradiation is determined by the balance between damage production, defect clustering, and lattice response. In order to predict those effects at high temperatures so targeted testing can be expanded and extrapolated beyond the known database, it is necessary to determine the defect energetics and mobilities as these control damage accumulation and annealing. In particular, low-temperature irradiations are invaluable for determining the regions of defect mobility. Computer simulation techniques are particularly useful for identifying basic defect properties, especially if closely coupled with a well-constructed and complete experimental database. The close coupling of calculation and experiment in this project will provide mutual benchmarking and allow us to glean a deeper understanding of the irradiation response of ZrC, which can then be applied to the prediction of its behavior in reactor conditions.

  7. Gate dielectric degradation: Pre-existing vs. generated defects

    SciTech Connect (OSTI)

    Veksler, Dmitry E-mail: gennadi.bersuker@sematech.org; Bersuker, Gennadi E-mail: gennadi.bersuker@sematech.org

    2014-01-21

    We consider the possibility that degradation of the electrical characteristics of high-k gate stacks under low voltage stresses of practical interest is caused primarily by activation of pre-existing defects rather than generation of new ones. In nFETs in inversion, in particular, defect activation is suggested to be associated with the capture of an injected electron: in this charged state, defects can participate in a fast exchange of charge carriers with the carrier reservoir (substrate or gate electrode) that constitutes the physical process underlying a variety of electrical measurements. The degradation caused by the activation of pre-existing defects, as opposed to that of new defect generation, is both reversible and exhibits a tendency to saturate through the duration of stress. By using the multi-phonon assisted charge transport description, it is demonstrated that the trap activation concept allows reproducing a variety of experimental results including stress time dependency of the threshold voltage, leakage current, charge pumping current, and low frequency noise. Continuous, long-term degradation described by the power law time dependency is shown to be determined by the activation of defects located in the interfacial SiO{sub 2} layer of the high-k gate stacks. The findings of this study can direct process optimization efforts towards reduction of as-grown precursors of the charge trapping defects as the major factor affecting reliability.

  8. Modeling of casting microstructures and defects

    SciTech Connect (OSTI)

    Shapiro, A.B.; Summers, L.T.; Eckels, D.J.; Sahai, V.

    1997-09-26

    Casting is an ancient art that has been a trial-and-error process for more than 4000 years. To predict the size, shape, and quality of a cast product, casting manufacturers typically cast full-size prototypes. If one part of the process is done incorrectly, the entire process is repeated until an acceptable product is achieved. One way to reduce the time, cost, and waste associated with casting is to use computer modeling to predict not only the quality of a product on the macro- scale, such as distortion and part shape, but also on the micro-scale such as grain defects. Modeling of solidification is becoming increasingly feasible with the advent of parallel computers. There are essentially two approaches to solidification modeling.The first is that of macro-modeling where heat transfer codes model latent heat release during solidification as a constant and based solely on the local temperature. This approach is useful in predicting large scale distortion and final part shape. The second approach, micro-modeling, is more fundamental. The micro-models estimate the latent heat release during solidification using nucleation and grain growth kinetics. Micro-models give insight into cast grain morphology and show promise in the future to predict engineering properties such as tensile strength. The micro-model solidification kinetics can be evaluated using first principles or they can be evaluated using experiments. This work describes an implementation of a micro-model for uranium which uses experimental results to estimate nucleation and growth kinetics.

  9. Heavy and Overweight Vehicle Defects Interim Report

    SciTech Connect (OSTI)

    Siekmann, Adam; Capps, Gary J

    2012-12-01

    The Federal Highway Administration (FHWA), along with the Federal Motor Carrier Safety Administration (FMCSA), has an interest in overweight commercial motor vehicles, how they affect infrastructure, and their impact on safety on the nation s highways. To assist both FHWA and FMCSA in obtaining more information related to this interest, data was collected and analyzed from two separate sources. A large scale nationwide data collection effort was facilitated by the Commercial Vehicle Safety Alliance as part of a special study on overweight vehicles and an additional, smaller set, of data was collected from the state of Tennessee which included a much more detailed set of data. Over a six-month period, 1,873 Level I inspections were performed in 18 different states that volunteered to be a part of this study. Of the 1,873 inspections, a vehicle out-of-service (OOS) violation was found on 44.79% of the vehicles, a rate significantly higher than the national OOS rate of 27.23%. The main cause of a vehicle being placed OOS was brake-related defects, with approximately 30% of all vehicles having an OOS brake violation. Only about 4% of vehicles had an OOS tire violation, and even fewer had suspension and wheel violations. Vehicle weight violations were most common on an axle group as opposed to a gross vehicle weight violation. About two thirds of the vehicles cited with a weight violation were overweight on an axle group with an average amount of weight over the legal limit of about 2,000 lbs. Data collection is scheduled to continue through January 2014, with more potentially more states volunteering to collect data. More detailed data collections similar to the Tennessee data collection will also be performed in multiple states.

  10. Probing graphene defects and estimating graphene quality with optical microscopy

    SciTech Connect (OSTI)

    Lai, Shen; Kyu Jang, Sung; Jae Song, Young; Lee, Sungjoo

    2014-01-27

    We report a simple and accurate method for detecting graphene defects that utilizes the mild, dry annealing of graphene/Cu films in air. In contrast to previously reported techniques, our simple approach with optical microscopy can determine the density and degree of dislocation of defects in a graphene film without inducing water-related damage or functionalization. Scanning electron microscopy, confocal Raman and atomic force microscopy, and X-ray photoelectron spectroscopy analysis were performed to demonstrate that our nondestructive approach to characterizing graphene defects with optimized thermal annealing provides rapid and comprehensive determinations of graphene quality.

  11. Nanofiltration across Defect-Sealed Nanoporous Monolayer Graphene

    SciTech Connect (OSTI)

    O'Hern, Sean C.; Jang, Doojoon; Bose, Suman; Idrobo Tapia, Juan Carlos; Song, Yi; Laoui, Tahar; Kong, Jing; Karnik, Rohit

    2015-04-27

    Monolayer nanoporous graphene represents an ideal membrane for molecular separations, but its practical realization is impeded by leakage through defects in the ultrathin graphene. Here, we report a multiscale leakage-sealing process that exploits the nonpolar nature and impermeability of pristine graphene to selectively block defects, resulting in a centimeter-scale membrane that can separate two fluid reservoirs by an atomically thin layer of graphene. After introducing subnanometer pores in graphene, the membrane exhibited rejection of multivalent ions and small molecules and water flux consistent with prior molecular dynamics simulations. The results indicate the feasibility of constructing defect-tolerant monolayer graphene membranes for nanofiltration, desalination, and other separation processes.

  12. Self-evolving atomistic kinetic Monte Carlo simulations of defects in materials

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Xu, Haixuan; Beland, Laurent K.; Stoller, Roger E.; Osetskiy, Yury N.

    2015-01-29

    The recent development of on-the-fly atomistic kinetic Monte Carlo methods has led to an increased amount attention on the methods and their corresponding capabilities and applications. In this review, the framework and current status of Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) are discussed. SEAKMC particularly focuses on defect interaction and evolution with atomistic details without assuming potential defect migration/interaction mechanisms and energies. The strength and limitation of using an active volume, the key concept introduced in SEAKMC, are discussed. Potential criteria for characterizing an active volume are discussed and the influence of active volume size on saddle point energies ismore » illustrated. A procedure starting with a small active volume followed by larger active volumes was found to possess higher efficiency. Applications of SEAKMC, ranging from point defect diffusion, to complex interstitial cluster evolution, to helium interaction with tungsten surfaces, are summarized. A comparison of SEAKMC with molecular dynamics and conventional object kinetic Monte Carlo is demonstrated. Overall, SEAKMC is found to be complimentary to conventional molecular dynamics, especially when the harmonic approximation of transition state theory is accurate. However it is capable of reaching longer time scales than molecular dynamics and it can be used to systematically increase the accuracy of other methods such as object kinetic Monte Carlo. Furthermore, the challenges and potential development directions are also outlined.« less

  13. Visualizing the Behavior of Polar Domains and Screening Charges...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Visualizing the Behavior of Polar Domains and Screening Charges Under Electric and Mechanical Fields Event Sponsor: Mathematics and Computing Science - LANS Seminar Start Date: Sep...

  14. Ion blistering of boron-doped silicon: The critical role of defect passivation

    SciTech Connect (OSTI)

    Desrosiers, N.; Giguere, A.; Moutanabbir, O.; Terreault, B.

    2005-12-05

    The microscopic mechanism of hydrogen ion blistering of silicon was investigated using Raman scattering spectroscopy and thermal desorption spectrometry. The data in B-doped Si({approx}10{sup -3}/{omega} cm) are particularly worth noting, since B doping at this level strongly reduces both the ion dose and the thermal budget required for blistering. In that case the Si-H stretch mode is found to be shifted markedly towards higher frequencies characteristic of highly passivated vacancies and internal surfaces. It is deduced that the degree of defect passivation is a most critical factor for blistering.

  15. Modeling and experimental characterization of stepped and v-shaped (311) defects in silicon

    SciTech Connect (OSTI)

    Marqus, Luis A. Aboy, Mara; Dudeck, Karleen J.; Botton, Gianluigi A.; Knights, Andrew P.; Gwilliam, Russell M.

    2014-04-14

    We propose an atomistic model to describe extended (311) defects in silicon. It is based on the combination of interstitial and bond defect chains. The model is able to accurately reproduce not only planar (311) defects but also defect structures that show steps, bends, or both. We use molecular dynamics techniques to show that these interstitial and bond defect chains spontaneously transform into extended (311) defects. Simulations are validated by comparing with precise experimental measurements on actual (311) defects. The excellent agreement between the simulated and experimentally derived structures, regarding individual atomic positions and shape of the distinct structural (311) defect units, provides strong evidence for the robustness of the proposed model.

  16. Design of defect spins in piezoelectric aluminum nitride for...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: Design of defect spins in ... GrantContract Number: AC02-06CH11357 Type: Accepted Manuscript Journal Name: Scientific Reports ...

  17. Mitigation of substrate defects in reticles using multilayer buffer layers

    DOE Patents [OSTI]

    Mirkarimi, Paul B.; Bajt, Sasa; Stearns, Daniel G.

    2001-01-01

    A multilayer film is used as a buffer layer to minimize the size of defects on a reticle substrate prior to deposition of a reflective coating on the substrate. The multilayer buffer layer deposited intermediate the reticle substrate and the reflective coating produces a smoothing of small particles and other defects on the reticle substrate. The reduction in defect size is controlled by surface relaxation during the buffer layer growth process and by the degree of intermixing and volume contraction of the materials at the multilayer interfaces. The buffer layers are deposited at near-normal incidence via a low particulate ion beam sputtering process. The growth surface of the buffer layer may also be heated by a secondary ion source to increase the degree of intermixing and improve the mitigation of defects.

  18. Method and apparatus for inspecting reflection masks for defects

    DOE Patents [OSTI]

    Bokor, Jeffrey; Lin, Yun

    2003-04-29

    An at-wavelength system for extreme ultraviolet lithography mask blank defect detection is provided. When a focused beam of wavelength 13 nm is incident on a defective region of a mask blank, three possible phenomena can occur. The defect will induce an intensity reduction in the specularly reflected beam, scatter incoming photons into an off-specular direction, and change the amplitude and phase of the electric field at the surface which can be monitored through the change in the photoemission current. The magnitude of these changes will depend on the incident beam size, and the nature, extent and size of the defect. Inspection of the mask blank is performed by scanning the mask blank with 13 nm light focused to a spot a few .mu.m in diameter, while measuring the reflected beam intensity (bright field detection), the scattered beam intensity (dark-field detection) and/or the change in the photoemission current.

  19. Fast Diffusion of Native Defects and Impurities in Perovskite...

    Office of Scientific and Technical Information (OSTI)

    in Perovskite Solar Cell Material CH 3 NH 3 PbI 3 Citation Details In-Document Search Title: Fast Diffusion of Native Defects and Impurities in Perovskite Solar Cell Material CH ...

  20. Research on the Hydrogen Passivation of Defects and Impurities in Si Relevant to Crystalline Si Solar Cell Materials: Final Report, 16 February 2000 -- 15 April 2003

    SciTech Connect (OSTI)

    Stavola, M.

    2003-09-01

    The goal of this experimental research program is to increase the understanding, at a microscopic level, of hydrogenation processes and passivation mechanisms for crystalline-Si photovoltaics. In our experiments, vibrational spectroscopy was used to study the properties of the interstitial H2 molecule in Si and the transition-metal-hydrogen complexes in Si. The interstitial H2 molecule is formed readily in Si when hydrogen is introduced. Our studies establish that interstitial H2 in Si behaves as a nearly free rotator, solving puzzles about the behavior of this defect that have persisted since the discovery of its vibrational spectrum. The transition metals are common impurities in Si that decrease the minority-carrier lifetime and degrade the efficiencies of solar cells. Therefore, the possibility that transition-metal impurities in Si might be passivated by hydrogen has long been of interest. Our studies of transition-metal-H complexes in Si help to establish the structural and electrical properties of a family of Pt-H complexes in Si, and have made the Pt-H complexes a model system for understanding the interaction of hydrogen with transition-metal impurities in Si.

  1. Hot Rolling Scrap Reduction through Edge Cracking and Surface Defects

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Control | Department of Energy Hot Rolling Scrap Reduction through Edge Cracking and Surface Defects Control Hot Rolling Scrap Reduction through Edge Cracking and Surface Defects Control hot_rolling.pdf (541.63 KB) More Documents & Publications ITP Aluminum: Aluminum Industry Roadmap for the Automotive Market (May 1999) Vehicle Technologies Office: 2012 Lightweight Materials R&D Annual Progress Report ITP Aluminum: Aluminum Industry Technology Roadmap

  2. PROJECT PROFILE: Defining the Defect Chemistry and Structural Properties

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Required for 24%-Efficient CdTe Devices | Department of Energy Defining the Defect Chemistry and Structural Properties Required for 24%-Efficient CdTe Devices PROJECT PROFILE: Defining the Defect Chemistry and Structural Properties Required for 24%-Efficient CdTe Devices Funding Opportunity: SuNLaMP SunShot Subprogram: Photovoltaics Location: National Renewable Energy Laboratory, Golden, CO Amount Awarded: $6,900,000 While crystalline silicon accounted for two thirds of the photovoltaic (PV)

  3. Automated defect spatial signature analysis for semiconductor manufacturing process

    DOE Patents [OSTI]

    Tobin, Jr., Kenneth W.; Gleason, Shaun S.; Karnowski, Thomas P.; Sari-Sarraf, Hamed

    1999-01-01

    An apparatus and method for performing automated defect spatial signature alysis on a data set representing defect coordinates and wafer processing information includes categorizing data from the data set into a plurality of high level categories, classifying the categorized data contained in each high level category into user-labeled signature events, and correlating the categorized, classified signature events to a present or incipient anomalous process condition.

  4. Vehicle Technologies Office Merit Review 2015: Electrode Coating Defect

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Analysis and Processing NDE for High-Energy Lithium-Ion Batteries | Department of Energy Electrode Coating Defect Analysis and Processing NDE for High-Energy Lithium-Ion Batteries Vehicle Technologies Office Merit Review 2015: Electrode Coating Defect Analysis and Processing NDE for High-Energy Lithium-Ion Batteries Presentation given by Oak Ridge National Laboratory at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting

  5. Graphene materials having randomly distributed two-dimensional structural defects

    DOE Patents [OSTI]

    2013-10-08

    Graphene-based storage materials for high-power battery applications are provided. The storage materials are composed of vertical stacks of graphene sheets and have reduced resistance for Li ion transport. This reduced resistance is achieved by incorporating a random distribution of structural defects into the stacked graphene sheets, whereby the structural defects facilitate the diffusion of Li ions into the interior of the storage materials.

  6. Graphene materials having randomly distributed two-dimensional structural defects

    DOE Patents [OSTI]

    Kung, Harold H.; Zhao, Xin; Hayner, Cary M.; Kung, Mayfair C.

    2016-05-31

    Graphene-based storage materials for high-power battery applications are provided. The storage materials are composed of vertical stacks of graphene sheets and have reduced resistance for Li ion transport. This reduced resistance is achieved by incorporating a random distribution of structural defects into the stacked graphene sheets, whereby the structural defects facilitate the diffusion of Li ions into the interior of the storage materials.

  7. Defect Analysis of Vehicle Compressed Natural Gas Composite Cylinder |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy Defect Analysis of Vehicle Compressed Natural Gas Composite Cylinder Defect Analysis of Vehicle Compressed Natural Gas Composite Cylinder These slides were presented at the Onboard Storage Tank Workshop on April 29, 2010. defectanalysis_naturalgas_ostw.pdf (2.31 MB) More Documents & Publications Safety analysis of in-use vehicle wrapping cylinder International Hydrogen Fuel and Pressure Vessel Forum 2010 Proceedings Type 4 Tank Testing, Certification and Field

  8. Rapid Coarsening of Ion Beam Ripple Patterns by Defect Annihilation

    SciTech Connect (OSTI)

    Hansen, Henri; Messlinger, Sebastian; Stoian, Georgiana [I. Physikalisches Institut, RWTH Aachen, 52056 Aachen (Germany); Redinger, Alex [I. Physikalisches Institut, RWTH Aachen, 52056 Aachen (Germany); II. Physikalisches Institut, Universitaet zu Koeln, 50937 Koeln, Zuelpicher Strasse 77 (Germany); Krug, Joachim [Institut fuer Theoretische Physik, Universitaet zu Koeln, 50937 Koeln, Zuelpicher Strasse 77 (Germany); Michely, Thomas [II. Physikalisches Institut, Universitaet zu Koeln, 50937 Koeln, Zuelpicher Strasse 77 (Germany)

    2009-04-10

    Ripple patterns formed on Pt(111) through grazing incidence ion beam erosion coarsen rapidly. At and below 450 K coarsening of the patterns is athermal and kinetic, unrelated to diffusion and surface free energy. Similar to the situation for sand dunes, coarsening takes place through annihilation reactions of mobile defects in the pattern. The defect velocity derived on the basis of a simple model agrees quantitatively with the velocity of monatomic steps illuminated by the ion beam.

  9. Crystal defect studies using x-ray diffuse scattering

    SciTech Connect (OSTI)

    Larson, B.C.

    1980-01-01

    Microscopic lattice defects such as point (single atom) defects, dislocation loops, and solute precipitates are characterized by local electronic density changes at the defect sites and by distortions of the lattice structure surrounding the defects. The effect of these interruptions of the crystal lattice on the scattering of x-rays is considered in this paper, and examples are presented of the use of the diffuse scattering to study the defects. X-ray studies of self-interstitials in electron irradiated aluminum and copper are discussed in terms of the identification of the interstitial configuration. Methods for detecting the onset of point defect aggregation into dislocation loops are considered and new techniques for the determination of separate size distributions for vacancy loops and interstitial loops are presented. Direct comparisons of dislocation loop measurements by x-rays with existing electron microscopy studies of dislocation loops indicate agreement for larger size loops, but x-ray measurements report higher concentrations in the smaller loop range. Methods for distinguishing between loops and three-dimensional precipitates are discussed and possibilities for detailed studies considered. A comparison of dislocation loop size distributions obtained from integral diffuse scattering measurements with those from TEM show a discrepancy in the smaller sizes similar to that described above.

  10. Defect reaction network in Si-doped InP : numerical predictions.

    SciTech Connect (OSTI)

    Schultz, Peter Andrew

    2013-10-01

    This Report characterizes the defects in the defect reaction network in silicon-doped, n-type InP deduced from first principles density functional theory. The reaction network is deduced by following exothermic defect reactions starting with the initially mobile interstitial defects reacting with common displacement damage defects in Si-doped InP until culminating in immobile reaction products. The defect reactions and reaction energies are tabulated, along with the properties of all the silicon-related defects in the reaction network. This Report serves to extend the results for intrinsic defects in SAND 2012-3313: %E2%80%9CSimple intrinsic defects in InP: Numerical predictions%E2%80%9D to include Si-containing simple defects likely to be present in a radiation-induced defect reaction sequence.

  11. Mechanical memory

    DOE Patents [OSTI]

    Gilkey, Jeffrey C.; Duesterhaus, Michelle A.; Peter, Frank J.; Renn, Rosemarie A.; Baker, Michael S.

    2006-08-15

    A first-in-first-out (FIFO) microelectromechanical memory apparatus (also termed a mechanical memory) is disclosed. The mechanical memory utilizes a plurality of memory cells, with each memory cell having a beam which can be bowed in either of two directions of curvature to indicate two different logic states for that memory cell. The memory cells can be arranged around a wheel which operates as a clocking actuator to serially shift data from one memory cell to the next. The mechanical memory can be formed using conventional surface micromachining, and can be formed as either a nonvolatile memory or as a volatile memory.

  12. Mechanical memory

    DOE Patents [OSTI]

    Gilkey, Jeffrey C.; Duesterhaus, Michelle A.; Peter, Frank J.; Renn, Rosemarie A.; Baker, Michael S.

    2006-05-16

    A first-in-first-out (FIFO) microelectromechanical memory apparatus (also termed a mechanical memory) is disclosed. The mechanical memory utilizes a plurality of memory cells, with each memory cell having a beam which can be bowed in either of two directions of curvature to indicate two different logic states for that memory cell. The memory cells can be arranged around a wheel which operates as a clocking actuator to serially shift data from one memory cell to the next. The mechanical memory can be formed using conventional surface micromachining, and can be formed as either a nonvolatile memory or as a volatile memory.

  13. Agreement Mechanisms

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Agreement Mechanisms Agreement Mechanisms World-class experts and capabilities countering all aspects of explosive threats, and aiming predominantly at enhanced detection capabilities. CRADA: Cooperative Research and Development Agreement What is it? Work performed in collaboration with a sponsor. What does it do? Enables Los Alamos staff to participate with industry, academia, and nonprofit entities on collaborative R&D activities of mutual benefit. When is it used? An organization's

  14. Neural and Synaptic Defects in slytherin a Zebrafish Model for Human Congenital Disorders of Glycosylation

    SciTech Connect (OSTI)

    Y Song; J Willer; P Scherer; J Panzer; A Kugath; E Skordalakes; R Gregg; G Willer; R Balice-Gordon

    2011-12-31

    Congenital disorder of glycosylation type IIc (CDG IIc) is characterized by mental retardation, slowed growth and severe immunodeficiency, attributed to the lack of fucosylated glycoproteins. While impaired Notch signaling has been implicated in some aspects of CDG IIc pathogenesis, the molecular and cellular mechanisms remain poorly understood. We have identified a zebrafish mutant slytherin (srn), which harbors a missense point mutation in GDP-mannose 4,6 dehydratase (GMDS), the rate-limiting enzyme in protein fucosylation, including that of Notch. Here we report that some of the mechanisms underlying the neural phenotypes in srn and in CGD IIc are Notch-dependent, while others are Notch-independent. We show, for the first time in a vertebrate in vivo, that defects in protein fucosylation leads to defects in neuronal differentiation, maintenance, axon branching, and synapse formation. Srn is thus a useful and important vertebrate model for human CDG IIc that has provided new insights into the neural phenotypes that are hallmarks of the human disorder and has also highlighted the role of protein fucosylation in neural development.

  15. Systems and methods for forming defects on graphitic materials and curing radiation-damaged graphitic materials

    DOE Patents [OSTI]

    Ryu, Sunmin; Brus, Louis E.; Steigerwald, Michael L.; Liu, Haitao

    2012-09-25

    Systems and methods are disclosed herein for forming defects on graphitic materials. The methods for forming defects include applying a radiation reactive material on a graphitic material, irradiating the applied radiation reactive material to produce a reactive species, and permitting the reactive species to react with the graphitic material to form defects. Additionally, disclosed are methods for removing defects on graphitic materials.

  16. Context-based automated defect classification system using multiple morphological masks

    DOE Patents [OSTI]

    Gleason, Shaun S.; Hunt, Martin A.; Sari-Sarraf, Hamed

    2002-01-01

    Automatic detection of defects during the fabrication of semiconductor wafers is largely automated, but the classification of those defects is still performed manually by technicians. This invention includes novel digital image analysis techniques that generate unique feature vector descriptions of semiconductor defects as well as classifiers that use these descriptions to automatically categorize the defects into one of a set of pre-defined classes. Feature extraction techniques based on multiple-focus images, multiple-defect mask images, and segmented semiconductor wafer images are used to create unique feature-based descriptions of the semiconductor defects. These feature-based defect descriptions are subsequently classified by a defect classifier into categories that depend on defect characteristics and defect contextual information, that is, the semiconductor process layer(s) with which the defect comes in contact. At the heart of the system is a knowledge database that stores and distributes historical semiconductor wafer and defect data to guide the feature extraction and classification processes. In summary, this invention takes as its input a set of images containing semiconductor defect information, and generates as its output a classification for the defect that describes not only the defect itself, but also the location of that defect with respect to the semiconductor process layers.

  17. Computational mechanics

    SciTech Connect (OSTI)

    Goudreau, G.L.

    1993-03-01

    The Computational Mechanics thrust area sponsors research into the underlying solid, structural and fluid mechanics and heat transfer necessary for the development of state-of-the-art general purpose computational software. The scale of computational capability spans office workstations, departmental computer servers, and Cray-class supercomputers. The DYNA, NIKE, and TOPAZ codes have achieved world fame through our broad collaborators program, in addition to their strong support of on-going Lawrence Livermore National Laboratory (LLNL) programs. Several technology transfer initiatives have been based on these established codes, teaming LLNL analysts and researchers with counterparts in industry, extending code capability to specific industrial interests of casting, metalforming, and automobile crash dynamics. The next-generation solid/structural mechanics code, ParaDyn, is targeted toward massively parallel computers, which will extend performance from gigaflop to teraflop power. Our work for FY-92 is described in the following eight articles: (1) Solution Strategies: New Approaches for Strongly Nonlinear Quasistatic Problems Using DYNA3D; (2) Enhanced Enforcement of Mechanical Contact: The Method of Augmented Lagrangians; (3) ParaDyn: New Generation Solid/Structural Mechanics Codes for Massively Parallel Processors; (4) Composite Damage Modeling; (5) HYDRA: A Parallel/Vector Flow Solver for Three-Dimensional, Transient, Incompressible Viscous How; (6) Development and Testing of the TRIM3D Radiation Heat Transfer Code; (7) A Methodology for Calculating the Seismic Response of Critical Structures; and (8) Reinforced Concrete Damage Modeling.

  18. Developmental defects in zebrafish for classification of EGF pathway inhibitors

    SciTech Connect (OSTI)

    Pruvot, Benoist; Cur, Yoann; Djiotsa, Joachim; Voncken, Audrey; Muller, Marc

    2014-01-15

    One of the major challenges when testing drug candidates targeted at a specific pathway in whole animals is the discrimination between specific effects and unwanted, off-target effects. Here we used the zebrafish to define several developmental defects caused by impairment of Egf signaling, a major pathway of interest in tumor biology. We inactivated Egf signaling by genetically blocking Egf expression or using specific inhibitors of the Egf receptor function. We show that the combined occurrence of defects in cartilage formation, disturbance of blood flow in the trunk and a decrease of myelin basic protein expression represent good indicators for impairment of Egf signaling. Finally, we present a classification of known tyrosine kinase inhibitors according to their specificity for the Egf pathway. In conclusion, we show that developmental indicators can help to discriminate between specific effects on the target pathway from off-target effects in molecularly targeted drug screening experiments in whole animal systems. - Highlights: We analyze the functions of Egf signaling on zebrafish development. Genetic blocking of Egf expression causes cartilage, myelin and circulatory defects. Chemical inhibition of Egf receptor function causes similar defects. Developmental defects can reveal the specificity of Egf pathway inhibitors.

  19. Predicting the Occurrence of Cosmetic Defects in Automotive Skin Panels

    SciTech Connect (OSTI)

    Hazra, S.; Williams, D.; Roy, R.; Aylmore, R.; Allen, M.; Hollingdale, D.

    2011-05-04

    The appearance of defects such as 'hollows' and 'shock lines' can affect the perceived quality and attractiveness of automotive skin panels. These defects are the result of the stamping process and appear as small, localized deviations from the intended styling of the panels. Despite their size, they become visually apparent after the application of paint and the perceived quality of a panel may become unacceptable. Considerable time is then dedicated to minimizing their occurrence through tool modifications. This paper will investigate the use of the wavelet transform as a tool to analyze physically measured panels. The transform has two key aspects. The first is its ability to distinguish small scale local defects from large scale styling curvature. The second is its ability to characterize the shape of a defect in terms of its wavelength and a 'correlation value'. The two features of the transform enable it to be used as a tool for locating and predicting the severity of defects. The paper will describe the transform and illustrate its application on test cases.

  20. Research in Hydrogen Passivation of Defects and Impurities in Silicon: Final Subcontract Report, 2 May 2000--2 July 2003

    SciTech Connect (OSTI)

    Ashok, S.

    2004-05-01

    Our work consists of hydrogenating silicon (Si) samples by different methods such as low-energy implantation, electron cyclotron resonance (ECR) plasma, and thermal diffusion. The samples will be provided through NREL. The experimental work carried out at Penn State involves the study of hydrogen interaction with defects, trapping, migration, and formation of complexes. The principal vehicle for the latter study will be ion implantation, and the intent is to understand mechanisms of defect passivation and activation by hydrogen. The theoretical studies will consist of the calculation of the structure and parameters related to hydrogen diffusion and interactions of hydrogen with transition metal impurities in silicon. Experimental studies will involve measurements of hydrogen and hydrogen-impurity complexes, and diffusion properties of various species of hydrogen in Si. The experimental work at Penn State includes introduction of hydrogen in a variety of photovoltaic Si by ECR plasma, low-energy ion implantation, and thermal diffusion. The specific tasks will be the evaluation of hydrogen interaction with defects engineered by ion implantation; defect passivation, activation, and migration in hydrogenated Si under thermal anneal; and electrical activity of hydrogen-impurity complexes. Electrical characterization will entail I-V and C-V measurements, spreading resistance, and deep-level transient spectroscopy.

  1. MD simulations of phase stability of PuGa alloys: Effects of primary radiation defects and helium bubbles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Dremov, V. V.; Sapozhnikov, F. A.; Ionov, G. V.; Karavaev, A. V.; Vorobyova, M. A.; Chung, B. W.

    2013-05-14

    We present classical molecular dynamics (MD) with Modified Embedded Atom Model (MEAM) simulations to investigate the role of primary radiation defects and radiogenic helium as factors affecting the phase stability of PuGa alloys in cooling–heating cycles at ambient pressure. The models of PuGa alloys equilibrated at ambient conditions were subjected to cooling–heating cycles in which they were initially cooled down to 100 K and then heated up to 500 K at ambient pressure. The rate of temperature change in the cycles was 10 K/ns. The simulations showed that the initial FCC phase of PuGa alloys undergo polymorphous transition in coolingmore » to a lower symmetry α'-phase. All the alloys undergo direct and reverse polymorphous transitions in the cooling–heating cycles. The alloys containing vacancies shift in both transitions to lower temperatures relative to the defect-free alloys. The radiogenic helium has much less effect on the phase stability compared to that of primary radiation defects (in spite of the fact that helium concentration is twice of that for the primary radiation defects). Lastly, this computational result agrees with experimental data on unconventional stabilization mechanism of PuGa alloys.« less

  2. Radiation-induced defects in GaN bulk grown by halide vapor phase epitaxy

    SciTech Connect (OSTI)

    Duc, Tran Thien; Pozina, Galia; Son, Nguyen Tien; Janzn, Erik; Hemmingsson, Carl; Ohshima, Takeshi

    2014-09-08

    Defects induced by electron irradiation in thick free-standing GaN layers grown by halide vapor phase epitaxy were studied by deep level transient spectroscopy. In as-grown materials, six electron traps, labeled D2 (E{sub C}0.24?eV), D3 (E{sub C}0.60?eV), D4 (E{sub C}0.69?eV), D5 (E{sub C}0.96?eV), D7 (E{sub C}1.19?eV), and D8, were observed. After 2?MeV electron irradiation at a fluence of 1??10{sup 14?}cm{sup ?2}, three deep electron traps, labeled D1 (E{sub C}0.12?eV), D5I (E{sub C}0.89?eV), and D6 (E{sub C}1.14?eV), were detected. The trap D1 has previously been reported and considered as being related to the nitrogen vacancy. From the annealing behavior and a high introduction rate, the D5I and D6 centers are suggested to be related to primary intrinsic defects.

  3. Limitation of the Open-Circuit Voltage Due to Metastable Intrinsic Defects in Cu(In,Ga)Se2 and Strategies to Avoid These Defects: Preprint

    SciTech Connect (OSTI)

    Lany, S.; Zunger, A.

    2008-05-01

    This paper summarizes using first-principles defect theory to investigate the role of intrinsic point defects in the limitation of the open-circuit voltage (VOC) in Cu(In,Ga)Se2 solar cells.

  4. Defect reaction network in Si-doped InAs. Numerical predictions.

    SciTech Connect (OSTI)

    Schultz, Peter A.

    2015-05-01

    This Report characterizes the defects in the def ect reaction network in silicon - doped, n - type InAs predicted with first principles density functional theory. The reaction network is deduced by following exothermic defect reactions starting with the initially mobile interstitial defects reacting with common displacement damage defects in Si - doped InAs , until culminating in immobile reaction p roducts. The defect reactions and reaction energies are tabulated, along with the properties of all the silicon - related defects in the reaction network. This Report serves to extend the results for the properties of intrinsic defects in bulk InAs as colla ted in SAND 2013 - 2477 : Simple intrinsic defects in InAs : Numerical predictions to include Si - containing simple defects likely to be present in a radiation - induced defect reaction sequence . This page intentionally left blank

  5. Computational mechanics

    SciTech Connect (OSTI)

    Raboin, P J

    1998-01-01

    The Computational Mechanics thrust area is a vital and growing facet of the Mechanical Engineering Department at Lawrence Livermore National Laboratory (LLNL). This work supports the development of computational analysis tools in the areas of structural mechanics and heat transfer. Over 75 analysts depend on thrust area-supported software running on a variety of computing platforms to meet the demands of LLNL programs. Interactions with the Department of Defense (DOD) High Performance Computing and Modernization Program and the Defense Special Weapons Agency are of special importance as they support our ParaDyn project in its development of new parallel capabilities for DYNA3D. Working with DOD customers has been invaluable to driving this technology in directions mutually beneficial to the Department of Energy. Other projects associated with the Computational Mechanics thrust area include work with the Partnership for a New Generation Vehicle (PNGV) for ''Springback Predictability'' and with the Federal Aviation Administration (FAA) for the ''Development of Methodologies for Evaluating Containment and Mitigation of Uncontained Engine Debris.'' In this report for FY-97, there are five articles detailing three code development activities and two projects that synthesized new code capabilities with new analytic research in damage/failure and biomechanics. The article this year are: (1) Energy- and Momentum-Conserving Rigid-Body Contact for NIKE3D and DYNA3D; (2) Computational Modeling of Prosthetics: A New Approach to Implant Design; (3) Characterization of Laser-Induced Mechanical Failure Damage of Optical Components; (4) Parallel Algorithm Research for Solid Mechanics Applications Using Finite Element Analysis; and (5) An Accurate One-Step Elasto-Plasticity Algorithm for Shell Elements in DYNA3D.

  6. Defects and persistent conductivity in SrTiO{sub 3}

    SciTech Connect (OSTI)

    McCluskey, Matthew D.; Tarun, Marianne C.

    2014-02-21

    Strontium titanate (SrTiO{sub 3}) is often used as a substrate for oxide thin films such as high-temperature superconductors. It has the perovskite structure and an indirect band gap of 3.25 eV. Our prior work showed that hydrogen impurities form a defect complex that contains two hydrogen atoms. The complex was tentatively attributed to a passivated strontium vacancy. Alternatively, it could be a partially passivated titanium vacancy. In order to create titanium vacancies, we annealed samples in an evacuated ampoule with SrO powder. These samples show unexpected behavior. After illuminating with sub-gap light, the free-electron concentration increases significantly. After the light is turned off, the high conductivity persists at room temperature. We attribute persistent photoconductivity (PPC) to the excitation of an electron from a vacancy into the conduction band, with a low recapture rate.

  7. Charge state defect engineering of silicon during ion implantation

    SciTech Connect (OSTI)

    Brown, R.A.; Ravi, J.; Erokhin, Y.; Rozgonyi, G.A.; White, C.W.

    1997-01-01

    Effects of in situ interventions which alter defect interactions during implantation, and thereby affect the final damage state, have been investigated. Specifically, we examined effects of internal electric fields and charge carrier injection on damage accumulation in Si. First, we implanted H or He ions into diode structures which were either reverse or forward biased during implantation. Second, we implanted B or Si ions into plain Si wafers while illuminating them with UV light. In each case, the overall effect is one of damage reduction. Both the electric field and charge carrier injection effects may be understood as resulting from changes in defect interactions caused in part by changes to the charge state of defects formed during implantation.

  8. Nanofiltration across Defect-Sealed Nanoporous Monolayer Graphene

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    O'Hern, Sean C.; Jang, Doojoon; Bose, Suman; Idrobo Tapia, Juan Carlos; Song, Yi; Laoui, Tahar; Kong, Jing; Karnik, Rohit

    2015-04-27

    Monolayer nanoporous graphene represents an ideal membrane for molecular separations, but its practical realization is impeded by leakage through defects in the ultrathin graphene. Here, we report a multiscale leakage-sealing process that exploits the nonpolar nature and impermeability of pristine graphene to selectively block defects, resulting in a centimeter-scale membrane that can separate two fluid reservoirs by an atomically thin layer of graphene. After introducing subnanometer pores in graphene, the membrane exhibited rejection of multivalent ions and small molecules and water flux consistent with prior molecular dynamics simulations. The results indicate the feasibility of constructing defect-tolerant monolayer graphene membranes formore » nanofiltration, desalination, and other separation processes.« less

  9. Ultrasonic imaging system for in-process fabric defect detection

    DOE Patents [OSTI]

    Sheen, Shuh-Haw; Chien, Hual-Te; Lawrence, William P.; Raptis, Apostolos C.

    1997-01-01

    An ultrasonic method and system are provided for monitoring a fabric to identify a defect. A plurality of ultrasonic transmitters generate ultrasonic waves relative to the fabric. An ultrasonic receiver means responsive to the generated ultrasonic waves from the transmitters receives ultrasonic waves coupled through the fabric and generates a signal. An integrated peak value of the generated signal is applied to a digital signal processor and is digitized. The digitized signal is processed to identify a defect in the fabric. The digitized signal processing includes a median value filtering step to filter out high frequency noise. Then a mean value and standard deviation of the median value filtered signal is calculated. The calculated mean value and standard deviation are compared with predetermined threshold values to identify a defect in the fabric.

  10. Final report. Defects and transport in mixed oxides

    SciTech Connect (OSTI)

    Dieckmann, R {umlt u}diger

    2001-12-13

    New results on the point defect chemistry of (Ni{sub x}Fe{sub 1-x}){sub 3-delta}O{sub 4} and on the cation tracer diffusion in this spinel solid solution are presented and discussed. The equation system for the defect chemistry of perovskites of the type A{sub 1-x}B{sub 1+x}O{sub 3-delta} have been worked out and used to derive Kr{umlt o}ger-Vink diagrams. The deviation from stoichiometry, delta, in LA{sub 1-x}Mn{sub 1+x}O{sub 3-delta} has been measured at 1100, 1200, and 1300 degrees Celsius as a function of the oxygen activity and the composition variable x. At high and low oxygen activities, the data were fit by taking into account the electrostatic interaction between the charge defects by making use of the Debye H{umlt u}ckel theory.

  11. Defectiveness of the crystal structure of electroerosion powders

    SciTech Connect (OSTI)

    Fominskii, L.P.; Myuller, A.S.; Levchuk, M.V.

    1988-03-01

    The fine structure and defectiveness of metal powder crystal lattices produced by electroerosion dispersion were examined. Dispersion was performed on granulated aluminum, Armco iron, carbon steels, and tungsten. The fine structure was examined by x-ray diffraction. Harmonic analysis was performed using a computer and a program which calculates not only the expansion coefficients of the functions into a Fourier series but also the microdistortions and the dimensions of the mosaic blocks. Electroerosion powders were found to have higher density of crystal lattice defects which can increase their chemical and catalytic activity, improve the metallic electroerosion powder passivation, and increase their corrosion resistance.

  12. EUV Dark-Field Microscopy for Defect Inspection

    SciTech Connect (OSTI)

    Juschkin, L.; Maryasov, A.; Herbert, S.; Aretz, A.; Bergmann, K.; Lebert, R.

    2011-09-09

    An actinic EUV microscope for defect detection on mask blanks for operation in dark field using a table-top discharge-produced plasma source has been developed. Several test structures (pits and bumps) on multilayer mirrors were investigated by our Schwarzschild objective-based EUV microscope at 13.5-nm wavelength and then characterized with an atomic force microscope. Possible defect-detection limits with large field of view and moderate magnification are discussed in terms of required irradiation dose and system performance.

  13. Multi-level scanning method for defect inspection

    DOE Patents [OSTI]

    Bokor, Jeffrey; Jeong, Seongtae

    2002-01-01

    A method for performing scanned defect inspection of a collection of contiguous areas using a specified false-alarm-rate and capture-rate within an inspection system that has characteristic seek times between inspection locations. The multi-stage method involves setting an increased false-alarm-rate for a first stage of scanning, wherein subsequent stages of scanning inspect only the detected areas of probable defects at lowered values for the false-alarm-rate. For scanning inspection operations wherein the seek time and area uncertainty is favorable, the method can substantially increase inspection throughput.

  14. Behavioral Health Insurance Plan

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Behavioral Health Behavioral Health Preauthorization from BCBSNM is required for all behavioral health services. Contact Behavioral Health Unit Mental health services for retirees BlueCross BlueShield of New Mexico (BCBSNM) helps LANL employees identify and benefit from the mental health and substance abuse services they may need through a network of providers, programs and facilities. Use the BCBSNM Provider Finder to select an independently contracted and licensed behavioral health

  15. Fractofusion mechanism

    SciTech Connect (OSTI)

    Yasui, K. . Dept. of Physics)

    1992-11-01

    In this paper, the fractofusion mechanism of cold fusion is investigated theoretically. The conditions necessary for fractofusion during the absorption of deuterium atoms by palladium specimens (the condition of so-called cold fusion experiments) is clarified, including crack generation at grain boundaries, the high orientation angle of grains, rapid crack formation, the increase of electrical resistance around a crack, the large width of cracks, and the generation of many cracks. The origin and quantity of the electrical field inside cracks in the conductor are also clarified. By the fractofusion mechanism, the experimental facts that neutron emissions are observed in bursts, that sometimes they coincide with the deformation of a palladium specimen, and that in many experiments excess neutrons were not observed are qualitatively explained. The upper limit of the total fractofusion yields during the absorption of deuterium atoms by palladium specimens are estimated.

  16. Stabilities and defect-mediated lithium-ion conduction in a ground state cubic Li3 N structure

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Nguyen, Manh Cuong; Hoang, Khang; Wang, Cai-Zhuang; Ho, Kai-Ming

    2016-01-07

    A stable ground state structure with cubic symmetry of Li3N (c-Li3N) is found by ab initio initially symmetric random-generated crystal structure search method. Gibbs free energy, calculated within quasi-harmonic approximation, shows that c-Li3N is the ground state structure for a wide range of temperature. The c-Li3N structure has a negative thermal expansion coefficient at temperatures lower than room temperature, due mainly to two transverse acoustic phonon modes. This c-Li3N phase is a semiconductor with an indirect band gap of 1.90 eV within hybrid density functional calculation. We also investigate the migration and energetics of native point defects in c-Li3N, includingmore » lithium and nitrogen vacancies, interstitials, and anti-site defects. Lithium interstitials are found to have a very low migration barrier (~0.12 eV) and the lowest formation energy among all possible defects. Thus, the ionic conduction in c-Li3N is expected to occur via an interstitial mechanism, in contrast to that in the well-known α-Li3N phase which occurs via a vacancy mechanism.« less

  17. Cracked-fuel mechanics. [PWR; BWR

    SciTech Connect (OSTI)

    Williford, R.E.; Lanning, D.D.

    1982-01-01

    This paper presents a modelling concept and a set of measurable parameters that have been shown to improve the prediction of the mechanical behavior of cracked fuel/cladding systems without added computational expense. The transition from classical annular gap/cylindrical pellet models to modified bulk properties and further to local behavior for cracked fuel systems is discussed. The results of laboratory experiments to verify these modelling parameters are shown. Data are also presented from laboratory experiments on unirradiated and irradiated rods which show that fuel rod mechanical response depends on fuel fragment size. The impact of these data on cracked fuel behavior and failure modelling is also discussed.

  18. Molecular pathways for defect annihilation in directed self-assembly.

    SciTech Connect (OSTI)

    Hur, Su-Mi; Thapar, Vikram; Ramirez-Hernandez, Abelardo; Khaira, Gurdaman S.; Segal-Peretz, Tamar; Rincon-Delgadillo, Paulina A.; Li, Weihua; Muller, Marcus; Nealey, Paul F.; de Pablo, Juan J.

    2015-11-17

    Over the last few years, the directed self-assembly of block copolymers by surface patterns has transitioned from academic curiosity to viable contender for commercial fabrication of next-generation nanocircuits by lithography. Recently, it has become apparent that kinetics, and not only thermodynamics, plays a key role for the ability of a polymeric material to self-assemble into a perfect, defect-free ordered state. Perfection, in this context, implies not more than one defect, with characteristic dimensions on the order of 5 nm, over a sample area as large as 100 cm2. In this work, we identify the key pathways and the corresponding free-energy barriers for eliminating defects, and we demonstrate that an extraordinarily large thermodynamic driving force is not necessarily sufficient for their removal. By adopting a concerted computational and experimental approach, we explain the molecular origins of these barriers, how they depend on material characteristics, and we propose strategies designed to over-come them. The validity of our conclusions for industrially-relevant patterning processes is established by relying on instruments and assembly lines that are only available at state-of-the-art fabrication facilities and, through this confluence of fundamental and applied research, we are able to discern the evolution of morphology at the smallest relevant length scales - a handful of nanometers -, and present a view of defect annihilation in directed self-assembly at an unprecedented level of detail.

  19. Dragging two-dimensional discrete solitons by moving linear defects

    SciTech Connect (OSTI)

    Brazhnyi, Valeriy A.; Malomed, Boris A.

    2011-07-15

    We study the mobility of small-amplitude solitons attached to moving defects which drag the solitons across a two-dimensional (2D) discrete nonlinear Schroedinger lattice. Findings are compared to the situation when a free small-amplitude 2D discrete soliton is kicked in a uniform lattice. In agreement with previously known results, after a period of transient motion the free soliton transforms into a localized mode pinned by the Peierls-Nabarro potential, irrespective of the initial velocity. However, the soliton attached to the moving defect can be dragged over an indefinitely long distance (including routes with abrupt turns and circular trajectories) virtually without losses, provided that the dragging velocity is smaller than a certain critical value. Collisions between solitons dragged by two defects in opposite directions are studied too. If the velocity is small enough, the collision leads to a spontaneous symmetry breaking, featuring fusion of two solitons into a single one, which remains attached to either of the two defects.

  20. Defect-mediated transport and electronic irradiation effect in individual domains of CVD-grown monolayer MoS2

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Durand, Corentin; Zhang, Xiaoguang; Fowlkes, Jason; Najmaei, Sina; Lou, Jun; Li, An -Ping

    2015-01-16

    We study the electrical transport properties of atomically thin individual crystalline grains of MoS2 with four-probe scanning tunneling microscopy. The monolayer MoS2 domains are synthesized by chemical vapor deposition on SiO2/Si substrate. Temperature dependent measurements on conductance and mobility show that transport is dominated by an electron charge trapping and thermal release process with very low carrier density and mobility. The effects of electronic irradiation are examined by exposing the film to electron beam in the scanning electron microscope in an ultrahigh vacuum environment. The irradiation process is found to significantly affect the mobility and the carrier density of themore » material, with the conductance showing a peculiar time-dependent relaxation behavior. It is suggested that the presence of defects in active MoS2 layer and dielectric layer create charge trapping sites, and a multiple trapping and thermal release process dictates the transport and mobility characteristics. The electron beam irradiation promotes the formation of defects and impact the electrical properties of MoS2. Finally, our study reveals the important roles of defects and the electron beam irradiation effects in the electronic properties of atomic layers of MoS2.« less

  1. Correlation between the electronic structures and diffusion paths of interstitial defects in semiconductors: The case in CdTe

    SciTech Connect (OSTI)

    Ma, Jie; Yang, Jihui; Da Silva, J. L.F.; Wei, Su-Huai

    2014-10-30

    Using first-principles calculations, we study the diffusions of interstitial defects Cd, Cu, Te, and Cl in CdTe. We find that the diffusion behavior is strongly correlated with the electronic structure of the interstitial diffuser. For Cd and Cu, because the defect state is the non-degenerated slike state under Td symmetry, the diffusions are almost along the [111] directions between the tetrahedral sites, although the diffusion of Cu shows some deviation due to the s - d coupling. The diffusions of the neutral and charged Cd and Cu follow similar paths. However, for Te and Cl atoms, because the defect state is the degenerated p-like state under Td symmetry, large distortions occur. Therefore, the diffusion paths are very different from those of Cd and Cu interstitials, and depend strongly on the charge states of the interstitial atoms. For Te, we find that the distortion is mostly stabilized by the crystal-field splitting, but for Cl, the exchange splitting plays a more important role.

  2. Correlation between the electronic structures and diffusion paths of interstitial defects in semiconductors: The case in CdTe

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ma, Jie; Yang, Jihui; Da Silva, J. L.F.; Wei, Su-Huai

    2014-10-30

    Using first-principles calculations, we study the diffusions of interstitial defects Cd, Cu, Te, and Cl in CdTe. We find that the diffusion behavior is strongly correlated with the electronic structure of the interstitial diffuser. For Cd and Cu, because the defect state is the non-degenerated slike state under Td symmetry, the diffusions are almost along the [111] directions between the tetrahedral sites, although the diffusion of Cu shows some deviation due to the s - d coupling. The diffusions of the neutral and charged Cd and Cu follow similar paths. However, for Te and Cl atoms, because the defect statemore » is the degenerated p-like state under Td symmetry, large distortions occur. Therefore, the diffusion paths are very different from those of Cd and Cu interstitials, and depend strongly on the charge states of the interstitial atoms. For Te, we find that the distortion is mostly stabilized by the crystal-field splitting, but for Cl, the exchange splitting plays a more important role.« less

  3. Plug Load Behavioral Change Demonstration Project

    SciTech Connect (OSTI)

    Metzger, I.; Kandt, A.; VanGeet, O.

    2011-08-01

    This report documents the methods and results of a plug load study of the Environmental Protection Agency's Region 8 Headquarters in Denver, Colorado, conducted by the National Renewable Energy Laboratory. The study quantified the effect of mechanical and behavioral change approaches on plug load energy reduction and identified effective ways to reduce plug load energy. Load reduction approaches included automated energy management systems and behavioral change strategies.

  4. ELEVATING MECHANISM

    DOE Patents [OSTI]

    Frederick, H.S.; Kinsella, M.A.

    1959-02-24

    An elevator is described, which is arranged for movement both in a horizontal and in a vertical direction so that the elevating mechanism may be employed for servicing equipment at separated points in a plant. In accordance with the present invention, the main elevator chassis is suspended from a monorail. The chassis, in turn supports a vertically moveable carriage, a sub- carriage vertically moveable on the carriage, and a turntable carried by the sub- carriage and moveable through an arc of 90 with the equipment attached thereto. In addition, the chassis supports all the means required to elevate or rotate the equipment.

  5. Characterization of fold defects in AZ91D and AE42 magnesium alloy permanent mold castings

    SciTech Connect (OSTI)

    Bichler, L. [Centre for Near-net-shape Processing of Materials, Ryerson University, 101 Gerrard St. E., Toronto, M5B 2K3 (Canada); Ravindran, C., E-mail: rravindr@ryerson.ca [Centre for Near-net-shape Processing of Materials, Ryerson University, 101 Gerrard St. E., Toronto, M5B 2K3 (Canada)

    2010-03-15

    Casting premium-quality magnesium alloy components for aerospace and automotive applications poses unique challenges. Magnesium alloys are known to freeze rapidly prior to filling a casting cavity, resulting in misruns and cold shuts. In addition, melt oxidation, solute segregation and turbulent metal flow during casting contribute to the formation of fold defects. In this research, formation of fold defects in AZ91D and AE42 magnesium alloys cast via the permanent mold casting process was investigated. Computer simulations of the casting process predicted the development of a turbulent metal flow in a critical casting region with abrupt geometrical transitions. SEM and light optical microscopy examinations revealed the presence of folds in this region for both alloys. However, each alloy exhibited a unique mechanism responsible for fold formation. In the AZ91D alloy, melt oxidation and velocity gradients in the critical casting region prevented fusion of merging metal front streams. In the AE42 alloy, limited solubility of rare-earth intermetallic compounds in the {alpha}-Mg phase resulted in segregation of Al{sub 2}RE particles at the leading edge of a metal front and created microstructural inhomogeneity across the fold.

  6. Defect interactions at high concentrations in solid-oxide electrolytes. Progress report, September 15, 1980-August 10, 1981

    SciTech Connect (OSTI)

    Nowick, A.S.

    1981-01-01

    The major purpose of the project is to study the nature of defects and their interactions in oxygen-ion solid electrolytes which have the fluorite structure. Thus far, the focus of attention has been on ceria (CeO/sub 2/) doped with lower valent cations. This material has turned out to be an idea one because of the relative simplicity of the basic defects involved (i.e., the dopant cations and charge-compensating oxygen ion vacancies, V/sub 0/) and the opportunity to study defect interactions over a wide range of compositions, from very dilute to high concentration ranges of the solute. It was shown that the case of trivalent dopants (M/sup 3 +/), which are of practical interest because of the high ionic conductivity that they impart, are also of unique basic interest, since in this case a network of alternately charged defects viz. M'/sub Ce/ and (M/sub Ce/V/sub 0/) pairs (in Kroger-Vink notation) are produced. The existence of this network was shown to have profound effects on the electrical conductivity behavior as well as to produce a new type of dielectric relaxation peak, as observed by ITC measurements. In addition the role of ionic size of the M/sup 3 +/ ion was explored, and an anomalously high M-V/sub 0/ association energy was found for Sc/sup 3 +/ doping. In addition to the techniques of ionic conductivity and dielectric relaxation, this project has employed internal friction (anelastic relaxation) measurements. Results are reported. (WHK)

  7. A Hierarchical Upscaling Method for Predicting Strength of Materials under Thermal, Radiation and Mechanical loading - Irradiation Strengthening Mechanisms in Stainless Steels

    SciTech Connect (OSTI)

    Li, Dongsheng; Zbib, Hussein M.; Garmestani, Hamid; Sun, Xin; Khaleel, Mohammad A.

    2011-07-01

    Stainless steels based on Fe-Cr-Ni alloys are the most popular structural materials used in reactors. High energy particle irradiation of in this kind of polycrystalline structural materials usually produces irradiation hardening and embrittlement. The development of predictive capability for the influence of irradiation on mechanical behavior is very important in materials design for next-generation reactors. Irradiation hardening is related to structural information crossing different length scale, such as composition, dislocation, crystal orientation distribution and so on. To predict the effective hardening, the influence factors along different length scales should be considered. A multiscale approach was implemented in this work to predict irradiation hardening of iron based structural materials. Three length scales are involved in this multiscale model: nanometer, micrometer and millimeter. In the microscale, molecular dynamics (MD) was utilized to predict on the edge dislocation mobility in body centered cubic (bcc) Fe and its Ni and Cr alloys. On the mesoscale, dislocation dynamics (DD) models were used to predict the critical resolved shear stress from the evolution of local dislocation and defects. In the macroscale, a viscoplastic self-consistent (VPSC) model was applied to predict the irradiation hardening in samples with changes in texture. The effects of defect density and texture were investigated. Simulated evolution of yield strength with irradiation agrees well with the experimental data of irradiation strengthening of stainless steel 304L, 316L and T91. This multiscale model we developed in this project can provide a guidance tool in performance evaluation of structural materials for next-generation nuclear reactors. Combining with other tools developed in the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the models developed will have more impact in improving the reliability of current reactors and affordability of new

  8. behavioral-survey

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Evacuation Behavior Survey for No-Notice Emergency Scenarios" Presentation at the 93rd TRB Annual Meeting at the Traveler Behavior and Values Committee (ADB10) - Behavioral Process subcommittee; January 13, 2014 Joshua Auld, Vadim Sokolov, Rene Bautista, Angela Fontes Transportation Research and Analysis Computing Center Argonne National Laboratory Biography The presentation details a survey on evacuation response behavior that was conducted as a part of the RTSTEP project. The survey was

  9. Applications of Admittance Spectroscopy in Photovoltaic Devices Beyond Majority-Carrier Trapping Defects

    SciTech Connect (OSTI)

    Li, J. V.; Crandall, R. S.; Repins, I. L.; Nardes, A. M.; Levi, D. H.

    2011-01-01

    Admittance spectroscopy is commonly used to characterize majority-carrier trapping defects. In today's practical photovoltaic devices, however, a number of other physical mechanisms may contribute to the admittance measurement and interfere with the data interpretation. Such challenges arise due to the violation of basic assumptions of conventional admittance spectroscopy such as single-junction, ohmic contact, highly conductive absorbers, and measurement in reverse bias. We exploit such violations to devise admittance spectroscopy-based methods for studying the respective origins of 'interference': majority-carrier mobility, non-ohmic contact potential barrier, minority-carrier inversion at heterointerface, and minority-carrier lifetime in a device environment. These methods are applied to a variety of photovoltaic technologies: CdTe, Cu(In, Ga)Se{sub 2}, Si HIT cells, and organic photovoltaic materials.

  10. Applications of Admittance Spectroscopy in Photovoltaic Devices Beyond Majority Carrier Trapping Defects: Preprint

    SciTech Connect (OSTI)

    Li, J. V.; Crandall, R. S.; Repins, I. L.; Nardes, A. M.; Levi, D. H.; Sulima, O.

    2011-07-01

    Admittance spectroscopy is commonly used to characterize majority-carrier trapping defects. In today's practical photovoltaic devices, however, a number of other physical mechanisms may contribute to the admittance measurement and interfere with the data interpretation. Such challenges arise due to the violation of basic assumptions of conventional admittance spectroscopy such as single-junction, ohmic contact, highly conductive absorbers, and measurement in reverse bias. We exploit such violations to devise admittance spectroscopy-based methods for studying the respective origins of 'interference': majority-carrier mobility, non-ohmic contact potential barrier, minority-carrier inversion at hetero-interface, and minority-carrier lifetime in a device environment. These methods are applied to a variety of photovoltaic technologies: CdTe, Cu(In,Ga)Se2, Si HIT cells, and organic photovoltaic materials.

  11. Low-energy planar magnetic defects in BaFe2As2: Nanotwins, twins...

    Office of Scientific and Technical Information (OSTI)

    These nanoscale defects have a very low surface energy (22-210 m Jm-2), with twins favorable to the mesoscale. Defects exhibit smaller moments confined near their boundaries-making ...

  12. ENERGY OF THE DEFECTS INDUCED BY NEUTRON IRRADIATION IN MgO....

    Office of Scientific and Technical Information (OSTI)

    ENERGY OF THE DEFECTS INDUCED BY NEUTRON IRRADIATION IN MgO. Citation Details In-Document Search Title: ENERGY OF THE DEFECTS INDUCED BY NEUTRON IRRADIATION IN MgO. (in French) ...

  13. Defect-induced discriminative modulation of the highest occupied molecular orbital energies of graphene

    SciTech Connect (OSTI)

    Yuan, Wenjuan E-mail: luojunkink@126.com; Yang, Hongping; Zhu, Jing; Luo, Jun E-mail: luojunkink@126.com

    2015-11-15

    Defects are capable of modulating various properties of graphene, and thus controlling defects is useful in the development of graphene-based devices. Here we present first-principles calculations, which reveal a new avenue for defect engineering of graphene: the modulation by defects on the highest occupied molecular orbital (HOMO) energy of a charged monolayer graphene quantum dot (GQD) is discriminative. When the charge of a GQD increases its HOMO energy also increases. Importantly, when the GQD contains one particular class of defects its HOMO energy is sometimes higher and sometimes lower than that of the corresponding GQD without any defects, but when the GQD contains another class of defects its HOMO energy is always higher or lower than that of the corresponding intact GQD as its excess charge reaches a critical value. This discriminative modulation could allow defect engineering to control secondary electron ejection in graphene, leading to a new way to develop graphene-based devices.

  14. Electron-limiting defect complex in hyperdoped GaAs: The D D...

    Office of Scientific and Technical Information (OSTI)

    Electron-limiting defect complex in hyperdoped GaAs: The D D X center Prev Next Title: Electron-limiting defect complex in hyperdoped GaAs: The D D X center Authors: Ma, Jie ...

  15. Defect Engineering in SrI2:Eu2+ Single Crystal Scintillators

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wu, Yuntao; Boatner, Lynn A.; Lindsey, Adam C.; Zhuravleva, Mariya; Jones, Steven; Auxier, John D.; Hall, Howard L.; Melcher, Charles L.

    2015-06-23

    Eu2+-activated strontium iodide is an excellent single crystal scintillator used for gamma-ray detection and significant effort is currently focused on the development of large-scale crystal growth techniques. A new approach of molten-salt pumping or so-called melt aging was recently applied to optimize the crystal quality and scintillation performance. Nevertheless, a detailed understanding of the underlying mechanism of this technique is still lacking. The main purpose of this paper is to conduct an in-depth study of the interplay between microstructure, trap centers and scintillation efficiency after melt aging treatment. Three SrI2:2 mol% Eu2+ single crystals with 16 mm diameter were grownmore » using the Bridgman method under identical growth conditions with the exception of the melt aging time (e.g. 0, 24 and 72 hours). Using energy-dispersive X-ray spectroscopy, it is found that the matrix composition of the finished crystal after melt aging treatment approaches the stoichiometric composition. The mechanism responsible for the formation of secondary phase inclusions in melt-aged SrI2:Eu2+ is discussed. Simultaneous improvement in light yield, energy resolution, scintillation decay-time and afterglow is achieved in melt-aged SrI2:Eu2+. The correlation between performance improvement and defect structure is addressed. The results of this paper lead to a better understanding of the effects of defect engineering in control and optimization of metal halide scintillators using the melt aging technique.« less

  16. Doping-assisted defect control in compound semiconductors

    DOE Patents [OSTI]

    Specht, Petra; Weber, Eicke R.; Weatherford, Todd Russell

    2006-07-11

    The present invention relates to the production of thin film epilayers of IIIV and other compounds with acceptor doping wherein the acceptor thermally stabilizes the epilayer, stabilize the naturally incorporated native defect population and therewith maintain the epilayer's beneficial properties upon annealing among other advantageous effects. In particular, balanced doping in which the acceptor concentration is similar to (but does not exceed) the antisite defects in the as-grown material is shown to be particularly advantageous in providing thermal stability, high resistivity and ultrashort trapping times. In particular, MBE growth of LT-GaAs epilayers with balanced Be doping is described in detail. The growth conditions greatly enhance the materials reproducibility (that is, the yield in processed devices). Such growth techniques can be transferred to other IIIV materials if the growth conditions are accurately reproduced. Materials produced herein also demonstrate advantages in reproducibility, reliability and radiation hardening.

  17. Extreme ultraviolet induced defects on few-layer graphene

    SciTech Connect (OSTI)

    Gao, A.; Zoethout, E.; Lee, C. J.; Rizo, P. J.; Scaccabarozzi, L.; Banine, V.; Bijkerk, F.; MESA Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede

    2013-07-28

    We use Raman spectroscopy to show that exposing few-layer graphene to extreme ultraviolet (EUV, 13.5 nm) radiation, i.e., relatively low photon energy, results in an increasing density of defects. Furthermore, exposure to EUV radiation in a H{sub 2} background increases the graphene dosage sensitivity, due to reactions caused by the EUV induced hydrogen plasma. X-ray photoelectron spectroscopy results show that the sp{sup 2} bonded carbon fraction decreases while the sp{sup 3} bonded carbon and oxide fraction increases with exposure dose. Our experimental results confirm that even in reducing environment oxidation is still one of the main source of inducing defects.

  18. Doping-assisted defect control in compound semiconductors

    DOE Patents [OSTI]

    Specht, Petra; Weber, Eicke R.; Weatherford, Todd Russell

    2006-07-11

    The present invention relates to the production of thin film epilayers of III–V and other compounds with acceptor doping wherein the acceptor thermally stabilizes the epilayer, stabilize the naturally incorporated native defect population and therewith maintain the epilayer's beneficial properties upon annealing among other advantageous effects. In particular, balanced doping in which the acceptor concentration is similar to (but does not exceed) the antisite defects in the as-grown material is shown to be particularly advantageous in providing thermal stability, high resistivity and ultrashort trapping times. In particular, MBE growth of LT-GaAs epilayers with balanced Be doping is described in detail. The growth conditions greatly enhance the materials reproducibility (that is, the yield in processed devices). Such growth techniques can be transferred to other III–V materials if the growth conditions are accurately reproduced. Materials produced herein also demonstrate advantages in reproducibility, reliability and radiation hardening.

  19. Defect density and dielectric constant in perovskite solar cells

    SciTech Connect (OSTI)

    Samiee, Mehran; Konduri, Siva; Abbas, Hisham A.; Joshi, Pranav; Zhang, Liang; Dalal, Vikram; Ganapathy, Balaji; Kottokkaran, Ranjith; Noack, Max; Kitahara, Andrew

    2014-10-13

    We report on measurement of dielectric constant, mid-gap defect density, Urbach energy of tail states in CH{sub 3}NH{sub 3}PbI{sub x}Cl{sub 1?x} perovskite solar cells. Midgap defect densities were estimated by measuring capacitance vs. frequency at different temperatures and show two peaks, one at 0.66?eV below the conduction band and one at 0.24?eV below the conduction band. The attempt to escape frequency is in the range of 2??10{sup 11}/s. Quantum efficiency data indicate a bandgap of 1.58?eV. Urbach energies of valence and conduction band are estimated to be ?16 and ?18?meV. Measurement of saturation capacitance indicates that the relative dielectric constant is ?18.

  20. Native defects in MBE-grown CdTe

    SciTech Connect (OSTI)

    Olender, Karolina; Wosinski, Tadeusz; Makosa, Andrzej; Tkaczyk, Zbigniew; Kolkovsky, Valery; Karczewski, Grzegorz

    2013-12-04

    Deep-level traps in both n- and p-type CdTe layers, grown by molecular-beam epitaxy on GaAs substrates, have been investigated by means of deep-level transient spectroscopy (DLTS). Four of the traps revealed in the DLTS spectra, which displayed exponential kinetics for capture of charge carriers into the trap states, have been assigned to native point defects: Cd interstitial, Cd vacancy, Te antisite defect and a complex formed of the Te antisite and Cd vacancy. Three further traps, displaying logarithmic capture kinetics, have been ascribed to electron states of treading dislocations generated at the mismatched interface with the substrate and propagated through the CdTe layer.

  1. Nanotube-based gas sensors - role of structural defects

    SciTech Connect (OSTI)

    Andzelm, J; Govind, N; Maiti, A

    2005-05-05

    Existing theoretical literature suggests that defect-free, pristine carbon nanotubes (CNTs) interact weakly with many gas molecules like H{sub 2}O, CO, NH{sub 3}, H{sub 2}, and so on. The case of NH{sub 3} is particularly intriguing because this is in disagreement with experimentally observed changes in electrical conductance of CNTs upon exposure to these gases. In order to explain such discrepancy, we have carried out Density Functional Theory (DFT) investigations of the role of common atomistic defects in CNT (Stone-Wales, monovacancy, and interstitial) on the chemisorption of NH{sub 3}. Computed binding energies, charge transfer, dissociation barriers, and vibrational modes are compared with existing experimental results on electrical conductance, thermal desorption and infrared spectroscopy.

  2. Accessing defect dynamics using intense, nanosecond pulsed ion beams

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Persaud, A.; Barnard, J. J.; Guo, H.; Hosemann, P.; Lidia, S.; Minor, A. M.; Seidl, P. A.; Schenkel, T.

    2015-06-18

    Gaining in-situ access to relaxation dynamics of radiation induced defects will lead to a better understanding of materials and is important for the verification of theoretical models and simulations. We show preliminary results from experiments at the new Neutralized Drift Compression Experiment (NDCX-II) at Lawrence Berkeley National Laboratory that will enable in-situ access to defect dynamics through pump-probe experiments. Here, the unique capabilities of the NDCX-II accelerator to generate intense, nanosecond pulsed ion beams are utilized. Preliminary data of channeling experiments using lithium and potassium ions and silicon membranes are shown. We compare these data to simulation results using Crystalmore » Trim. Furthermore, we discuss the improvements to the accelerator to higher performance levels and the new diagnostics tools that are being incorporated.« less

  3. Accessing defect dynamics using intense, nanosecond pulsed ion beams

    SciTech Connect (OSTI)

    Persaud, A.; Barnard, J. J.; Guo, H.; Hosemann, P.; Lidia, S.; Minor, A. M.; Seidl, P. A.; Schenkel, T.

    2015-06-18

    Gaining in-situ access to relaxation dynamics of radiation induced defects will lead to a better understanding of materials and is important for the verification of theoretical models and simulations. We show preliminary results from experiments at the new Neutralized Drift Compression Experiment (NDCX-II) at Lawrence Berkeley National Laboratory that will enable in-situ access to defect dynamics through pump-probe experiments. Here, the unique capabilities of the NDCX-II accelerator to generate intense, nanosecond pulsed ion beams are utilized. Preliminary data of channeling experiments using lithium and potassium ions and silicon membranes are shown. We compare these data to simulation results using Crystal Trim. Furthermore, we discuss the improvements to the accelerator to higher performance levels and the new diagnostics tools that are being incorporated.

  4. Operating Experience Level 3: Radcalc V4.1 Software Defect | Department of

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Energy Level 3: Radcalc V4.1 Software Defect Operating Experience Level 3: Radcalc V4.1 Software Defect September 6, 2011 OE-3 2011-01: Radcalc V4.1 Software Defect OE-3 2011-01: Radcalc V4.1 Software Defect (117.61 KB) More Documents & Publications RADCALC DOE-HDBK-1129-2007 DOE-STD-3013-2012

  5. Scientists optimize defects for better superconducting effects | Argonne

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    National Laboratory optimize defects for better superconducting effects By Jared Sagoff * July 12, 2016 Tweet EmailPrint High-temperature superconducting materials hold enormous promise for a variety of different applications because of their ability to transmit a current without any dissipation at relatively high temperatures - up to around 90 Kelvin (about -300° F), which permits cooling with liquid nitrogen. However, this special ability decreases rapidly in the presence of a magnetic

  6. Scientists optimize defects for better superconducting effects | Argonne

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Leadership Computing Facility Scientists optimize defects for better superconducting effects Author: Jared Sagoff July 12, 2016 Facebook Twitter LinkedIn Google E-mail Printer-friendly version High-temperature superconducting materials hold enormous promise for a variety of different applications because of their ability to transmit a current without any dissipation at relatively high temperatures - up to around 90 Kelvin (about -300° F), which permits cooling with liquid nitrogen. However,

  7. Material behavior under complex loading

    SciTech Connect (OSTI)

    Breuer, H.J.; Raule, G.; Rodig, M.

    1984-09-01

    Studies of material behavior under complex loading form a bridge between standard material testing methods and the stress analysis calculations for reactor components at high temperatures. The aim of these studies is to determine the influence of typical load change sequences on material properties, to derive the equations required for stress analyses, to carry out tests under multiaxial conditions, and to investigate the structural deformation mechanisms of creep buckling and ratcheting. The present state of the investigations within the high-temperature gas-cooled reactor materials program is described, with emphasis on the experimental apparatus, the scope of the program, and the initial results obtained.

  8. On the effect of x-ray irradiation on the deformation and fracture behavior of human cortical bone

    SciTech Connect (OSTI)

    Barth, Holly D.; Launey, Maximilien E.; McDowell, Alastair A.; Ager III, Joel W.; Ritchie, Robert O.

    2010-01-10

    In situ mechanical testing coupled with imaging using high-energy synchrotron x-ray diffraction or tomography imaging is gaining in popularity as a technique to investigate micrometer and even sub-micrometer deformation and fracture mechanisms in mineralized tissues, such as bone and teeth. However, the role of the irradiation in affecting the nature and properties of the tissue is not always taken into account. Accordingly, we examine here the effect of x-ray synchrotron-source irradiation on the mechanistic aspects of deformation and fracture in human cortical bone. Specifically, the strength, ductility and fracture resistance (both work-of-fracture and resistance-curve fracture toughness) of human femoral bone in the transverse (breaking) orientation were evaluated following exposures to 0.05, 70, 210 and 630 kGy irradiation. Our results show that the radiation typically used in tomography imaging can have a major and deleterious impact on the strength, post-yield behavior and fracture toughness of cortical bone, with the severity of the effect progressively increasing with higher doses of radiation. Plasticity was essentially suppressed after as little as 70 kGy of radiation; the fracture toughness was decreased by a factor of five after 210 kGy of radiation. Mechanistically, the irradiation was found to alter the salient toughening mechanisms, manifest by the progressive elimination of the bone's capacity for plastic deformation which restricts the intrinsic toughening from the formation 'plastic zones' around crack-like defects. Deep-ultraviolet Raman spectroscopy indicated that this behavior could be related to degradation in the collagen integrity.

  9. Mechanical Design

    SciTech Connect (OSTI)

    Shook, Richard; /Marquette U. /SLAC

    2010-08-25

    The particle beam of the SXR (soft x-ray) beam line in the LCLS (Linac Coherent Light Source) has a high intensity in order to penetrate through samples at the atomic level. However, the intensity is so high that many experiments fail because of severe damage. To correct this issue, attenuators are put into the beam line to reduce this intensity to a level suitable for experimentation. Attenuation is defined as 'the gradual loss in intensity of any flux through a medium' by [1]. It is found that Beryllium and Boron Carbide can survive the intensity of the beam. At very thin films, both of these materials work very well as filters for reducing the beam intensity. Using a total of 12 filters, the first 9 being made of Beryllium and the rest made of Boron Carbide, the beam's energy range of photons can be attenuated between 800 eV and 9000 eV. The design of the filters allows attenuation for different beam intensities so that experiments can obtain different intensities from the beam if desired. The step of attenuation varies, but is relative to the thickness of the filter as a power function of 2. A relationship for this is f(n) = x{sub 0}2{sup n} where n is the step of attenuation desired and x{sub 0} is the initial thickness of the material. To allow for this desired variation, a mechanism must be designed within the test chamber. This is visualized using a 3D computer aided design modeling tool known as Solid Edge.

  10. Mechanical effects in cookoff modeling

    SciTech Connect (OSTI)

    Gross, R.J.; Baer, M.R.; Hobbs, M.L.

    1994-07-01

    Complete cookoff modeling of energetic material in confined geometries must couple thermal, chemical and mechanical effects. In the past, modeling has focused on the prediction of the onset of combustion behavior based only on thermal-chemistry effects with little or no regard to the mechanical behavior of the energetic material. In this paper, an analysis tool is outlined which couples thermal, chemical, and mechanical behavior for one-dimensional Geometries comprised of multi-materials. A reactive heat flow code, XCHEM, and a quasistatic mechanics code, SANTOS, have been completely coupled using, a reactive, elastic-plastic constitutive model describing pressurization of the energetic material. This new Thermally Reactive Elastic-plastic explosive code, TREX, was developed to assess the coupling, of mechanics with thermal chemistry making multidimensional cookoff analysis possible. In this study, TREX is applied to confined and unconfined systems. The confined systems simulate One-Dimensional Time to explosion (ODTX) experiments in both spherical and cylindrical configurations. The spherical ODTX system is a 1.27 cm diameter sphere of TATB confined by aluminum exposed to a constant external temperature. The cylindrical ODTX system is an aluminum tube filled with HMX, NC, and inert exposed to a constant temperature bath. Finally. an unconfined system consisting of a hollow steel cylinder filled with a propellant composed of Al, RMX, and NC, representative of a rocket motor, is considered. This model system is subjected to transient internal and external radiative/convective boundary conditions representative of 5 minutes exposure to a fire. The confined systems show significant pressure prior to ignition, and the unconfined system shows extrusion of the propellent suggesting that the energetic material becomes more shock sensitive.

  11. Aerosol Behavior Log-Normal Distribution Model.

    Energy Science and Technology Software Center (OSTI)

    2001-10-22

    HAARM3, an acronym for Heterogeneous Aerosol Agglomeration Revised Model 3, is the third program in the HAARM series developed to predict the time-dependent behavior of radioactive aerosols under postulated LMFBR accident conditions. HAARM3 was developed to include mechanisms of aerosol growth and removal which had not been accounted for in the earlier models. In addition, experimental measurements obtained on sodium oxide aerosols have been incorporated in the code. As in HAARM2, containment gas temperature, pressure,more » and temperature gradients normal to interior surfaces are permitted to vary with time. The effects of reduced density on sodium oxide agglomerate behavior and of nonspherical shape of particles on aerosol behavior mechanisms are taken into account, and aerosol agglomeration due to turbulent air motion is considered. Also included is a capability to calculate aerosol concentration attenuation factors and to restart problems requiring long computing times.« less

  12. Evidence for Anisotropic Mechanical Behavior and Nanoscale Chemical...

    Office of Scientific and Technical Information (OSTI)

    Authors: Diercks, D. R. ; Musselman, M. ; Morgenstern, A. ; Wilson, T. ; Kumar, M. ; Smith, K. ; Kawase, M. ; Gorman, B. P. ; Eberhart, M. ; Packard, C. E. Publication Date: ...

  13. Characterization of Thermo-Mechanical Behaviors of Advanced High...

    Broader source: Energy.gov (indexed) [DOE]

    Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. lm25smith.pdf (2.83 MB) More Documents & Publications FY 2008 Progress Report for Lightweighting ...

  14. Modeling Mechanical Behavior of a Prismatic Replaceable Reflector Block

    SciTech Connect (OSTI)

    Robert Bratton

    2009-04-01

    This report outlines the development of finite element models used to determine temperature and stresses in a prismatic core reflector block. This initial analysis determines an appropriate temperature distribution in a prismatic reflector from limiting conditions in the adjacent fuel block based on simplifying assumptions.

  15. Method for characterizing mask defects using image reconstruction from X-ray diffraction patterns

    DOE Patents [OSTI]

    Hau-Riege, Stefan Peter

    2007-05-01

    The invention applies techniques for image reconstruction from X-ray diffraction patterns on the three-dimensional imaging of defects in EUVL multilayer films. The reconstructed image gives information about the out-of-plane position and the diffraction strength of the defect. The positional information can be used to select the correct defect repair technique. This invention enables the fabrication of defect-free (since repaired) X-ray Mo--Si multilayer mirrors. Repairing Mo--Si multilayer-film defects on mask blanks is a key for the commercial success of EUVL. It is known that particles are added to the Mo--Si multilayer film during the fabrication process. There is a large effort to reduce this contamination, but results are not sufficient, and defects continue to be a major mask yield limiter. All suggested repair strategies need to know the out-of-plane position of the defects in the multilayer.

  16. Heavy Mobile Equipment Mechanic (One Mechanic Shop)

    Broader source: Energy.gov [DOE]

    Join the Bonneville Power Administration (BPA) for a challenging and rewarding career, while working, living, and playing in the Pacific Northwest. The Heavy Mobile Equipment Mechanic (One Mechanic...

  17. Deformation Behavior of Laser Welds in High Temperature Oxidation Resistant Fe-Cr-Al Alloys for Fuel Cladding Applications

    SciTech Connect (OSTI)

    Field, Kevin G; Gussev, Maxim N; Yamamoto, Yukinori; Snead, Lance Lewis

    2014-11-01

    Ferritic-structured Fe-Cr-Al alloys are being developed and show promise as oxidation resistant accident tolerant light water reactor fuel cladding. This study focuses on investigating the weldability of three model alloys in a range of Fe-(13-17.5)Cr-(3-4.4)Al in weight percent with a minor addition of yttrium using laser-welding techniques. A detailed study on the mechanical performance of bead-on-plate welds has been carried out to determine the performance of welds as a function of alloy composition. Laser welding resulted in a defect free weld devoid of cracking or inclusions for all alloys studied. Results indicated a reduction in the yield strength within the fusion zone compared to the base metal. Yield strength reduction was found to be primarily constrained to the fusion zone due to grain coarsening with a less severe reduction in the heat affected zone. No significant correlation was found between the deformation behavior/mechanical performance of welds and the level of Cr or Al in the alloy ranges studied.

  18. Effect of neutron irradiation on mechanical properties of ferritic steels

    SciTech Connect (OSTI)

    Kass, S.B.; Murty, K.L.

    1995-12-31

    Effect of neutron radiation exposure was investigated in various ferritic steels with the main emphasis being the effects of thermal neutrons on radiation hardening. Pure iron of varied grain sizes was also used for characterizing the grain size effects on the source hardening before and after neutron irradiation. While many steels are considered in the overall study, the results on 1020, A516 and A588 steels are emphasized. Radiation hardening due to fast neutrons was seen to be sensitive to the composition of the steels with A354 being the least resistant and A490 the least sensitive. Majority of the radiation hardening stems from friction hardening, and source hardening term decreased with exposure to neutron radiation apparently due to the interaction of interstitial impurities with radiation produced defects. Inclusion of thermal neutrons along with fast resulted in further decrease in the source hardening with a slight increase in the friction hardening which revealed a critical grain size below which exposure to total (fast and thermal) neutron spectrum resulted in a slight reduction in the yield stress compared to the exposure to only fast neutrons. This is the first time such a grain size effect is reported and this is shown to be consistent with known radiation effects on friction and source hardening terms along with the observation that low energy neutrons have a nonnegligible effect on the mechanical properties of steels. In ferritic steels, however, despite their small grain size, exposure to total neutron spectrum yielded higher strengths than exposure to only fast neutrons. This behavior is consistent with the fact that the source hardening is small in these alloys and radiation effect is due only to friction stress.

  19. Deformation Behavior of Sub-micron and Micron Sized Alumina Particles in Compression.

    SciTech Connect (OSTI)

    Sarobol, Pylin; Chandross, Michael E.; Carroll, Jay; Mook, William; Boyce, Brad; Kotula, Paul G.; McKenzie, Bonnie B.; Bufford, Daniel Charles; Hall, Aaron Christopher.

    2014-09-01

    The ability to integrate ceramics with other materials has been limited due to high temperature (>800degC) ceramic processing. Recently, researchers demonstrated a novel process , aerosol deposition (AD), to fabricate ceramic films at room temperature (RT). In this process, sub - micro n sized ceramic particles are accelerated by pressurized gas, impacted on the substrate, plastically deformed, and form a dense film under vacuum. This AD process eliminates high temperature processing thereby enabling new coatings and device integration, in which ceramics can be deposited on metals, plastics, and glass. However, k nowledge in fundamental mechanisms for ceramic particle s to deform and form a dense ceramic film is still needed and is essential in advancing this novel RT technology. In this wo rk, a combination of experimentation and atomistic simulation was used to determine the deformation behavior of sub - micron sized ceramic particle s ; this is the first fundamental step needed to explain coating formation in the AD process . High purity, singl e crystal, alpha alumina particles with nominal size s of 0.3 um and 3.0 um were examined. Particle characterization, using transmission electron microscopy (TEM ), showed that the 0.3 u m particles were relatively defect - free single crystals whereas 3.0 u m p articles were highly defective single crystals or particles contained low angle grain boundaries. Sub - micron sized Al 2 O 3 particles exhibited ductile failure in compression. In situ compression experiments showed 0.3um particles deformed plastically, fractured, and became polycrystalline. Moreover, dislocation activit y was observed within the se particles during compression . These sub - micron sized Al 2 O 3 particles exhibited large accum ulated strain (2 - 3 times those of micron - sized particles) before first fracture. I n agreement with the findings from experimentation , a tomistic simulation s of nano - Al 2 O 3 particles showed dislocation slip and

  20. Blade reliability collaborative : collection of defect, damage and repair data.

    SciTech Connect (OSTI)

    Ashwill, Thomas D.; Ogilvie, Alistair B.; Paquette, Joshua A.

    2013-04-01

    The Blade Reliability Collaborative (BRC) was started by the Wind Energy Technologies Department of Sandia National Laboratories and DOE in 2010 with the goal of gaining insight into planned and unplanned O&M issues associated with wind turbine blades. A significant part of BRC is the Blade Defect, Damage and Repair Survey task, which will gather data from blade manufacturers, service companies, operators and prior studies to determine details about the largest sources of blade unreliability. This report summarizes the initial findings from this work.

  1. Highly defective oxides as sinter resistant thermal barrier coating

    DOE Patents [OSTI]

    Subramanian, Ramesh

    2005-08-16

    A thermal barrier coating material formed of a highly defective cubic matrix structure having a concentration of a stabilizer sufficiently high that the oxygen vacancies created by the stabilizer interact within the matrix to form multi-vacancies, thereby improving the sintering resistance of the material. The concentration of stabilizer within the cubic matrix structure is greater than that concentration of stabilizer necessary to give the matrix a peak ionic conductivity value. The concentration of stabilizer may be at least 30 wt. %. Embodiments include a cubic matrix of zirconia stabilized by at least 30-50 wt. % yttria, and a cubic matrix of hafnia stabilized by at least 30-50 wt. % gadolinia.

  2. Electrical properties and defect structure in the Sr-Fe-Co-O system

    SciTech Connect (OSTI)

    Ma, B.; Chao, C.C.; Park, J.H.

    1995-11-01

    The ceramic Sr-Fe-Co-O has potential use as a membrane in gas separation. This material exhibits high conductivity of both electrons and oxygen ions. It allows oxygen to penetrate at high flux rates without other gas components. Electrical properties are essential to understanding the oxygen transport mechanism and defect structure of this material. By using a gas-tight electrochemical cell with flowing air as the reference environment, we were able to achieve an oxygen partial pressure ({sub p}O{sub 2}) as low as 10{sup -16} atm. Total and ionic conductivities of Sr-Fe-Co-O have been studied as a function of {sub p}O{sub 2} at elevated temperature. In air, both total and ionic conductivities increase with temperature, while the ionic transference number is almost independent of temperature, with a value of {approx}0.4. Experimental results show that ionic conductivity decreases with decreasing {sub p}O{sub 2} at high {sub p}O{sub 2} ({ge}10{sup -6} atm). This suggests that interstitial oxygen ions and electron holes are the dominant charge carriers. At 800{degrees}C in air, total conductivity and ionic conductivity are 17 and 7 S/cm, respectively. Defect dynamics in this system can be understood by means of the trivalence-to-divalence transition of Fe ions when {sub p}O{sub 2} is reduced. By using the conductivity results, we estimated oxygen permeation through a ceramic membrane made of this material. The calculated oxygen permeability agrees with the experimental value obtained directly from an operating methane conversion reactor.

  3. Oxygen transport in off-stoichiometric uranium dioxide mediated by defect clustering dynamics

    SciTech Connect (OSTI)

    Yu, Jianguo Bai, Xian-Ming; El-Azab, Anter; Allen, Todd R.

    2015-03-07

    Oxygen transport is central to many properties of oxides such as stoichiometric changes, phase transformation, and ionic conductivity. In this paper, we report a mechanism for oxygen transport in uranium dioxide (UO{sub 2}) in which the kinetics is mediated by defect clustering dynamics. In particular, the kinetic Monte Carlo method has been used to investigate the kinetics of oxygen transport in UO{sub 2} under the condition of creation and annihilation of oxygen vacancies and interstitials as well as oxygen interstitial clustering, with variable off-stoichiometry and temperature conditions. It is found that in hypo-stoichiometric UO{sub 2?x}, oxygen transport is well described by the vacancy diffusion mechanism while in hyper-stoichiometric UO{sub 2+x}, oxygen interstitial cluster diffusion contributes significantly to oxygen transport kinetics, particularly at high temperatures and high off-stoichiometry levels. It is also found that di-interstitial clusters and single interstitials play dominant roles in oxygen diffusion while other larger clusters have negligible contributions. However, the formation, coalescence, and dissociation of these larger clusters indirectly affects the overall oxygen diffusion due to their interactions with mono and di-interstitials, thus providing an explanation of the experimental observation of saturation or even drop of oxygen diffusivity at high off-stoichiometry.

  4. Oxygen transport in off-stoichiometric uranium dioxide mediated by defect clustering dynamics

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yu, Jianguo; Bai, Xian -Ming; El-Azab, Anter; Allen, Todd R.

    2015-03-05

    In this study, oxygen transport is central to many properties of oxides such as stoichiometric changes, phase transformation and ionic conductivity. In this paper, we report a mechanism for oxygen transport in uranium dioxide (UO2) in which the kinetics is mediated by defect clustering dynamics. In particular, the kinetic Monte Carlo (KMC) method has been used to investigate the kinetics of oxygen transport in UO2 under the condition of creation and annihilation of oxygen vacancies and interstitials as well as oxygen interstitial clustering, with variable offstoichiometry and temperature conditions. It is found that in hypo-stoichiometric UO2-x, oxygen transport is wellmore » described by the vacancy diffusion mechanism while in hyper-stoichiometric UO2+x, oxygen interstitial cluster diffusion contributes significantly to oxygen transport kinetics, particularly at high temperatures and high off-stoichiometry levels. It is also found that diinterstitial clusters and single interstitials play dominant roles in oxygen diffusion while other larger clusters have negligible contributions. However, the formation, coalescence and dissociation of these larger clusters indirectly affects the overall oxygen diffusion due to their interactions with mono and di-interstitials, thus providing a explanation of the experimental observation of saturation or even drop of oxygen diffusivity at high off-stoichiometry.« less

  5. Oxygen transport in off-stoichiometric uranium dioxide mediated by defect clustering dynamics

    SciTech Connect (OSTI)

    Yu, Jianguo; Bai, Xian -Ming; El-Azab, Anter; Allen, Todd R.

    2015-03-05

    In this study, oxygen transport is central to many properties of oxides such as stoichiometric changes, phase transformation and ionic conductivity. In this paper, we report a mechanism for oxygen transport in uranium dioxide (UO2) in which the kinetics is mediated by defect clustering dynamics. In particular, the kinetic Monte Carlo (KMC) method has been used to investigate the kinetics of oxygen transport in UO2 under the condition of creation and annihilation of oxygen vacancies and interstitials as well as oxygen interstitial clustering, with variable offstoichiometry and temperature conditions. It is found that in hypo-stoichiometric UO2-x, oxygen transport is well described by the vacancy diffusion mechanism while in hyper-stoichiometric UO2+x, oxygen interstitial cluster diffusion contributes significantly to oxygen transport kinetics, particularly at high temperatures and high off-stoichiometry levels. It is also found that diinterstitial clusters and single interstitials play dominant roles in oxygen diffusion while other larger clusters have negligible contributions. However, the formation, coalescence and dissociation of these larger clusters indirectly affects the overall oxygen diffusion due to their interactions with mono and di-interstitials, thus providing a explanation of the experimental observation of saturation or even drop of oxygen diffusivity at high off-stoichiometry.

  6. Defect production during ion implantation of various A/sub III/B/sub V/ semiconductors

    SciTech Connect (OSTI)

    Wesch, W.; Wendler, E.; Goetz, G.; Kekelidse, N.P.

    1989-01-15

    The present paper gives a survey about the defect generation caused by ion implantation of GaAs, InAs, GaP, and InP. By combining Rutherford backscattering spectrometry, optical spectroscopy, and transmission electron microscopic methods, further information concerning the kinetics of the defect production as well as the type of defects created is obtained. Generally, the defect concentration in the region of implantation parameters investigated can be described by the energy density deposited into nuclear processes. Below critical values of the nuclear deposited energy density in GaAs weakly damaged layers containing point defects and point defect clusters are produced. With increasing nuclear deposited energy density an increasing number of amorphous zones is created due to manifold overlap of the initial defect clusters. The results indicate that in GaAs and InAs already at relatively low implantation temperatures, the amorphization occurs via homogeneous defect nucleation. The results obtained for GaP and InP, on the other hand, point at a remarkable contribution of heterogeneous defect nucleation already at room temperature, leading to amorphization at markedly lower nuclear deposited energy densities in spite of nearly identical values of the nuclear deposited energy. It is therefore concluded that defect recombination and annealing at room temperature is much less pronounced in the phosphides than in the arsenides.

  7. Defect Prevention and Detection in Software for Automated Test Equipment

    SciTech Connect (OSTI)

    E. Bean

    2006-11-30

    Software for automated test equipment can be tedious and monotonous making it just as error-prone as other software. Active defect prevention and detection are also important for test applications. Incomplete or unclear requirements, a cryptic syntax used for some test applicationsespecially script-based test sets, variability in syntax or structure, and changing requirements are among the problems encountered in one tester. Such problems are common to all software but can be particularly problematic in test equipment software intended to test another product. Each of these issues increases the probability of error injection during test application development. This report describes a test application development tool designed to address these issues and others for a particular piece of test equipment. By addressing these problems in the development environment, the tool has powerful built-in defect prevention and detection capabilities. Regular expressions are widely used in the development tool as a means of formally defining test equipment requirements for the test application and verifying conformance to those requirements. A novel means of using regular expressions to perform range checking was developed. A reduction in rework and increased productivity are the results. These capabilities are described along with lessons learned and their applicability to other test equipment software. The test application development tool, or application builder, is known as the PT3800 AM Creation, Revision and Archiving Tool (PACRAT).

  8. Defect structure of ultrafine MgB{sub 2} nanoparticles

    SciTech Connect (OSTI)

    Bateni, Ali; Somer, Mehmet E-mail: msomer@ku.edu.tr; Repp, Sergej; Erdem, Emre E-mail: msomer@ku.edu.tr; Thomann, Ralf; Acar, Seluk

    2014-11-17

    Defect structure of MgB{sub 2} bulk and ultrafine particles, synthesized by solid state reaction route, have been investigated mainly by the aid of X-band electron paramagnetic resonance spectrometer. Two different amorphous Boron (B) precursors were used for the synthesis of MgB{sub 2}, namely, boron 95 (purity 95%97%, <1.5??m) and nanoboron (purity >98.5%, <250?nm), which revealed bulk and nanosized MgB{sub 2}, respectively. Scanning and transmission electron microscopy analysis demonstrate uniform and ultrafine morphology for nanosized MgB{sub 2} in comparison with bulk MgB{sub 2}. Powder X-ray diffraction data show that the concentration of the by-product MgO is significantly reduced when nanoboron is employed as precursor. It is observed that a significant average particle size reduction for MgB{sub 2} can be achieved only by using B particles of micron or nano size. The origin and the role of defect centers were also investigated and the results proved that at nanoscale MgB{sub 2} material contains Mg vacancies. Such vacancies influence the connectivity and the conductivity properties which are crucial for the superconductivity applications.

  9. Demonstration of thermal control, microstructure control, defect mitigation and process parameter database generation for Ti-6Al-4V Direct Digital Manufacturing - Understanding defect mitigation and process parameter database generation for direct digital manufacturing

    SciTech Connect (OSTI)

    Dehoff, Ryan R.; Sridharan, Niyanth; Dinwiddie, Ralph; Robson, Alan; Jordan, Brian; Chaudhary, Anil; Babu, Sudarsanam Suresh

    2015-09-01

    Researchers from Manufacturing Demonstration Facility (MDF) at Oak Ridge National Laboratory (ORNL) worked with Applied Optimization (AO) to understand and evaluate the propensity for defect formation in builds manufactured using DM3D-POM laser direct metal deposition. The main aim of this collaboration was to understand the character of powder jet behavior as a function of the nozzle parameters such as cover gas, carrier gas, and shaping gas. In order to evaluate the sensitivities of the parameters used in model, various experiments were performed with in-situ monitoring of the powder stream characteristics using a high speed camera. A wide variety of conditions while keeping the hopper motor rpm constant, including laser power and travel speed were explored. The cross sections of the deposits were characterized using optical microscopy.

  10. High Burnup Fuel Behavior Modeling

    SciTech Connect (OSTI)

    Jahingir, M.; Rand, R.; Stachowski, R.; Miles, B.; Kusagaya, K.

    2007-07-01

    This paper discusses the development and qualification of the PRIME03 code to address high burnup mechanisms and to improve uranium utilization in current and new reactor designs. Materials properties and behavioral models have been updated from previous thermal-mechanical codes to reflect the effects of burnup on fuel pellet thermal conductivity, Zircaloy creep, fuel pellet relocation, and fission gas release. These new models are based on results of in-pool and post irradiation examination (PIE) of commercial boiling water reactor (BWR) fuel rods at high burnup and results from international experimental programs. The new models incorporated into PRIME03 also address specific high burnup effects associated with formation of pellet rim porosity at high exposure. The PRIME03 code is qualified by comparison of predicted and measured fuel performance parameters for a large number of high, low, and moderate burnup test and commercial reactor rod. The extensive experimental qualification of the PRIME03 prediction capabilities confirms that it is a reliable best-estimate predictor of fuel rod thermal-mechanical performance over a wide range of design and operating conditions. (authors)

  11. Influence of growth conditions on irradiation induced defects in low doped 4H-SiC epitaxial layers

    SciTech Connect (OSTI)

    Pintilie, I.; Grossner, U.; Svensson, B. G.; Irmscher, K.; Thomas, B.

    2007-02-05

    Nitrogen doped 4H-SiC epitaxial layers were investigated by deep level transient spectroscopy after irradiation with 6 MeV electrons. The influence of C/Si ratio, N doping level, and growth rate on the behavior of the prominent Z{sub 1,2} and EH{sub 6,7} levels during irradiation and subsequent annealing was studied. Both Z{sub 1,2} and EH{sub 6,7} increase in concentration with the N doping as well as with the C/Si ratio. It is demonstrated that the growth conditions play a decisive role for the annihilation of the EH{sub 6,7} level and a possible identity of the EH{sub 6,7} defect is discussed.

  12. Method to repair localized amplitude defects in a EUV lithography mask blank

    DOE Patents [OSTI]

    Stearns, Daniel G.; Sweeney, Donald W.; Mirkarimi, Paul B.; Chapman, Henry N.

    2005-11-22

    A method and apparatus are provided for the repair of an amplitude defect in a multilayer coating. A significant number of layers underneath the amplitude defect are undamaged. The repair technique restores the local reflectivity of the coating by physically removing the defect and leaving a wide, shallow crater that exposes the underlying intact layers. The particle, pit or scratch is first removed the remaining damaged region is etched away without disturbing the intact underlying layers.

  13. Atomic structure of defects in GaN:Mg grown with Ga polarity

    SciTech Connect (OSTI)

    Liliental-Weber, Z.; Tomaszewicz, T.; Zakharov, D.; Jasinski, J.; O'Keefe, M.A.; Hautakangas, S.; Laakso, A.; Saarinen, K.

    2003-11-25

    Electron microscope phase images, produced by direct reconstruction of the scattered electron wave from a focal series of high-resolution images, were used to determine the nature of defects formed in GaN:Mg crystals. We studied bulk crystals grown from dilute solutions of atomic nitrogen in liquid gallium at high pressure and thin films grown by the MOCVD method. All the crystals were grown with Ga-polarity. In both types of samples the majority of defects were three dimensional Mg-rich hexagonal pyramids with bases on the (0001) plane and six walls on {l_brace}11{und 2}3{r_brace} planes seen in cross-section as triangulars. Some other defects appear in cross-section as trapezoidal (rectangular) defects as a result of presence of truncated pyramids. Both type of defects have hollow centers. They are decorated by Mg on all six side walls and a base. The GaN which grows inside on the defect walls shows polarity inversion. It is shown that change of polarity starts from the defect tip and propagates to the base, and that the stacking sequence changes from ab in the matrix to bc inside the defect. Exchange of the Ga sublattice with the N sublattice within the defect leads to 0.6 {+-} 0.2{angstrom} displacement between Ga sublattices outside and inside the defects. It is proposed that lateral overgrowth of the cavities formed within the defect takes place to restore matrix polarity on the defect base.

  14. Effect of Doping on Surface Reactivity and Conduction Mechanism in Sm-doped CeO2 Thin Films

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yang, Nan; Belianinov, Alex; Strelcov, Evgheni; Tebano, Antonello; Daniele, Di Castro; Schlueter, Christoph; Lee, Tien-Lin; Baddorf, Arthur P.; Wisinger, Nina; Jesse, Stephen; et al

    2014-11-21

    Scanning probe microscopy measurements show irreversible surface electrochemistry in Sm-doped CeO2 thin films, which depends on humidity, temperature and doping concentration. A systematic study by electrochemical strain microscopy (ESM) in samples with two different Sm content and in several working conditions allows disclosing the microscopic mechanism underlying the difference in water adsorption and splitting with subsequent proton liberation. We measure the behavior of the hysteresis loops by changing temperature and humidity, both in standard ESM configuration and using the first order reversal curve (FORC) method. Complementing our study with spectroscopic measurements by hard x-ray photoemission spectroscopy we find that watermore » incorporation is favored until the doping with Sm is too high to allow the presence of Ce3+. The influence of doping on the surface reactivity and conduction mechanism clearly emerges from all of our experimental results. We find that at lower Sm concentration proton conduction is prevalent, featured by lower activation energy and higher mobility. Defect concentrations determine the type of the prevalent charge carrier in a doping dependent manner.« less

  15. Helium Migration Mechanisms in Polycrystalline Uranium Dioxide

    SciTech Connect (OSTI)

    Martin, Guillaume; Desgardin, Pierre; Sauvage, Thierry; Barthe, Marie-France; Garcia, Philippe; Carlot, Gaelle

    2007-07-01

    This study aims at identifying the release mechanisms of helium in uranium dioxide. Two sets of polycrystalline UO{sub 2} sintered samples presenting different microstructures were implanted with {sup 3}He ions at concentrations in the region of 0.1 at.%. Changes in helium concentrations were monitored using two Nuclear Reaction Analysis (NRA) techniques based on the {sup 3}He(d,{alpha}){sup 1}H reaction. {sup 3}He release is measured in-situ during sample annealing at temperatures ranging between 700 deg. C and 1000 deg. C. Accurate helium depth profiles are generated after each annealing stage. Results that provide data for further understanding helium release mechanisms are discussed. It is found that helium diffusion appears to be enhanced above 900 deg. C in the vicinity of grain boundaries possibly as a result of the presence of defects. (authors)

  16. Modeling the mechanical response of PBX 9501

    SciTech Connect (OSTI)

    Ragaswamy, Partha; Lewis, Matthew W; Liu, Cheng; Thompson, Darla G

    2010-01-01

    An engineering overview of the mechanical response of Plastic-Bonded eXplosives (PBXs), specifically PBX 9501, will be provided with emphasis on observed mechanisms associated with different types of mechanical testing. Mechanical tests in the form of uniaxial tension, compression, cyclic loading, creep (compression and tension), and Hopkinson bar show strain rate and temperature dependence. A range of mechanical behavior is observed which includes small strain recoverable response in the form of viscoelasticity; change in stiffness and softening beyond peak strength due to damage in the form microcracks, debonding, void formation and the growth of existing voids; inelastic response in the form of irrecoverable strain as shown in cyclic tests, and viscoelastic creep combined with plastic response as demonstrated in creep and recovery tests. The main focus of this paper is to elucidate the challenges and issues involved in modeling the mechanical behavior of PBXs for simulating thermo-mechanical responses in engineering components. Examples of validation of a constitutive material model based on a few of the observed mechanisms will be demonstrated against three point bending, split Hopkinson pressure bar and Brazilian disk geometry.

  17. Mechanical and microstructural response of Ni sub 3 Al at high strain rate and elevated temperatures

    SciTech Connect (OSTI)

    Sizek, H.W.; Gray, G.T. III.

    1990-01-01

    In this paper, the effect of strain rate and temperature on the substructure evolution and mechanical response of Ni{sub 3}Al will be presented. The strain rate response of Ni{sub 3}Al was studied at strain rates from 10{sup {minus}3} s{sup {minus}1} (quasi-static) to 10{sup 4} s{sup {minus}1} using a Split Hopkinson Pressure Bar. The Hopkinson Bar tests were conducted at temperatures ranging from 77K to 1273K. At high strain rates the flow strength increased significantly with increasing temperature, similar to the behavior observed at quasi-static rates. The work hardening rates increased with strain rate and varied with temperatures. The work hardening rates, appeared to be significantly higher than those found for Ni270. The substructure evolution was characterized utilizing TEM. The defect generation and rate sensitivity of Ni{sub 3}Al are also discussed as a function of strain rate and temperature. 15 refs., 4 figs.

  18. 2012 DEFECTS IN SEMICONDUCTORS GORDON RESEARCH CONFERENCE, AUGUST 12-17, 2012

    SciTech Connect (OSTI)

    GLASER, EVAN

    2012-08-17

    The meeting shall strive to develop and further the fundamental understanding of defects and their roles in the structural, electronic, optical, and magnetic properties of bulk, thin film, and nanoscale semiconductors and device structures. Point and extended defects will be addressed in a broad range of electronic materials of particular current interest, including wide bandgap semiconductors, metal-oxides, carbon-based semiconductors (e.g., diamond, graphene, etc.), organic semiconductors, photovoltaic/solar cell materials, and others of similar interest. This interest includes novel defect detection/imaging techniques and advanced defect computational methods.

  19. PDET-A New Tool for Partial Defect Verification of Pressurized...

    Office of Scientific and Technical Information (OSTI)

    PDET-A New Tool for Partial Defect Verification of Pressurized Water Reactor Spent Fuel ... Visit OSTI to utilize additional information resources in energy science and technology. A ...

  20. PDET-A New Tool for Partial Defect Verification of Pressurized...

    Office of Scientific and Technical Information (OSTI)

    of Pressurized Water Reactor Spent Fuel Assemblies Citation Details In-Document Search Title: PDET-A New Tool for Partial Defect Verification of Pressurized Water Reactor Spent ...

  1. Effects of Point Defects and Impurities on Kinetics in NaAlH4 | Department

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    of Energy Point Defects and Impurities on Kinetics in NaAlH4 Effects of Point Defects and Impurities on Kinetics in NaAlH4 A presentation showing that point defects play an important role in the kinetics of NaAlH4 including vacancies and interstitials consistent with observed effects of Ti. effects_of_point_defects.pdf (503.7 KB) More Documents & Publications Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4 FTA - SunLine Transit Agency - Final Report Proceedings of the 1998 U.S. DOE

  2. Theoretical investigations of defects in a Si-based digital ferromagne...

    Office of Scientific and Technical Information (OSTI)

    digital ferromagnetic heterostructure - a spintronic material Citation Details In-Document Search Title: Theoretical investigations of defects in a Si-based digital ...

  3. Defects Engineered Monolayer MoS2 for Improved Hydrogen Evolution...

    Office of Scientific and Technical Information (OSTI)

    Hydrogen Evolution Reaction This content will become publicly available on January 13, 2017 Prev Next Title: Defects Engineered Monolayer MoS2 for Improved Hydrogen ...

  4. Electronic and magnetic properties of zigzag silicene nanoribbons with Stone–Wales defects

    SciTech Connect (OSTI)

    Dong, Haixia; Fang, Dangqi; Gong, Baihua; Zhang, Yang; Zhang, Erhu; Zhang, Shengli

    2015-02-14

    The structural, electronic, and magnetic properties of zigzag silicene nanoribbons (ZSiNRs) with Stone–Wales (SW) defects were investigated using first-principles calculations. We found that two types of SW defects (named SW-Ι and SW-ΙΙ) exist in ZSiNRs. The SW defect was found to be the most stable at the edge of the ZSiNR, independently of the defect orientation, even more stable than it is in an infinite silicene sheet. In addition, the ZSiNRs can transition from semiconductor to metal or half-metal by modifying the SW defect location and concentration. For the same defect concentration, the band structures influenced by the SW-Ι defect are more distinct than those influenced by the SW-ΙΙ when the SW defect is at the edge. The present study suggests the possibility of tuning the electronic properties of ZSiNRs using the SW defects and might motivate their potential application in nanoelectronics and spintronics.

  5. Defect localization, characterization and reliability assessment in emerging photovoltaic devices.

    SciTech Connect (OSTI)

    Yang, Benjamin Bing-Yeh; Cruz-Campa, Jose Luis; Haase, Gad S.; Tangyunyong, Paiboon; Cole, Edward Isaac,; Okandan, Murat; Nielson, Gregory N.

    2014-04-01

    Microsystems-enabled photovoltaics (MEPV) can potentially meet increasing demands for light-weight, portable, photovoltaic solutions with high power density and efficiency. The study in this report examines failure analysis techniques to perform defect localization and evaluate MEPV modules. CMOS failure analysis techniques, including electroluminescence, light-induced voltage alteration, thermally-induced voltage alteration, optical beam induced current, and Seabeck effect imaging were successfully adapted to characterize MEPV modules. The relative advantages of each approach are reported. In addition, the effects of exposure to reverse bias and light stress are explored. MEPV was found to have good resistance to both kinds of stressors. The results form a basis for further development of failure analysis techniques for MEPVs of different materials systems or multijunction MEPVs. The incorporation of additional stress factors could be used to develop a reliability model to generate lifetime predictions for MEPVs as well as uncover opportunities for future design improvements.

  6. Ion beam collimating grid to reduce added defects

    DOE Patents [OSTI]

    Lindquist, Walter B. (Oakland, CA); Kearney, Patrick A. (Livermore, CA)

    2003-01-01

    A collimating grid for an ion source located after the exit grid. The collimating grid collimates the ion beamlets and disallows beam spread and limits the beam divergence during transients and steady state operation. The additional exit or collimating grid prevents beam divergence during turn-on and turn-off and prevents ions from hitting the periphery of the target where there is re-deposited material or from missing the target and hitting the wall of the vessel where there is deposited material, thereby preventing defects from being deposited on a substrate to be coated. Thus, the addition of a collimating grid to an ion source ensures that the ion beam will hit and be confined to a specific target area.

  7. Electrodes mitigating effects of defects in organic electronic devices

    DOE Patents [OSTI]

    Heller, Christian Maria Anton

    2008-05-06

    A compound electrode for organic electronic devices comprises a thin first layer of a first electrically conducting material and a second electrically conducting material disposed on the first layer. In one embodiment, the second electrically conducting material is formed into a plurality of elongated members. In another embodiment, the second material is formed into a second layer. The elongated members or the second layer has a thickness greater than that of the first layer. The second layer is separated from the first layer by a conducting material having conductivity less than at least the material of the first layer. The compound electrode is capable of mitigating adverse effects of defects, such as short circuits, in the construction of the organic electronic devices, and can be included in light-emitting or photovoltaic devices.

  8. Probing the Mechanism of CO2 Capture in Diamine-Appended Metal...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    display great promise for carbon capture applications, due to unusual step-shaped adsorption behavior that was recently attributed to a cooperative mechanism in which the...

  9. Mechanics and tribology of MEMS materials.

    SciTech Connect (OSTI)

    Prasad, Somuri V.; Dugger, Michael Thomas; Boyce, Brad Lee; Buchheit, Thomas Edward

    2004-04-01

    Micromachines have the potential to significantly impact future weapon component designs as well as other defense, industrial, and consumer product applications. For both electroplated (LIGA) and surface micromachined (SMM) structural elements, the influence of processing on structure, and the resultant effects on material properties are not well understood. The behavior of dynamic interfaces in present as-fabricated microsystem materials is inadequate for most applications and the fundamental relationships between processing conditions and tribological behavior in these systems are not clearly defined. We intend to develop a basic understanding of deformation, fracture, and surface interactions responsible for friction and wear of microelectromechanical system (MEMS) materials. This will enable needed design flexibility for these devices, as well as strengthen our understanding of material behavior at the nanoscale. The goal of this project is to develop new capabilities for sub-microscale mechanical and tribological measurements, and to exercise these capabilities to investigate material behavior at this size scale.

  10. Impact of cyclic plasma treatment on oxygen vacancy defects in TiN/HfZrO/SiON/Si gate stacks

    SciTech Connect (OSTI)

    Bhuyian, Md Nasir Uddin Misra, D.; Poddar, S.; Tapily, K.; Clark, R. D.; Consiglio, S.; Wajda, C. S.; Nakamura, G.; Leusink, G. J.

    2015-05-11

    This work evaluates the defects in HfZrO as a function of Zr addition into HfO{sub 2} and when the dielectric was subjected to a slot-plane-antenna (SPA) plasma treatment in a cyclic process to form TiN/HfZrO/SiON/Si gate stacks. The defect energy levels, estimated by temperature-dependent current-voltage measurements, suggest that Zr addition in HfO{sub 2} modifies the charge state of the oxygen vacancy formation, V{sup +}. The influence of electron affinity variation of Hf and Zr ions on the charged oxygen vacancy levels seems to have contributed to the increase in defect activation energy, E{sub a}, from 0.32 eV to 0.4 eV. The cyclic SPA plasma exposure further reduces the oxygen vacancy formation because of the film densification. When the dielectric was subjected to a constant voltage stress, the charge state oxygen vacancy formation changes to V{sup 2+} and improvement was eliminated. The trap assisted tunneling behavior, as observed by the stress induced leakage current characteristics, further supports the oxygen vacancy formation model.

  11. Multichannel framework for singular quantum mechanics

    SciTech Connect (OSTI)

    Camblong, Horacio E.; Epele, Luis N.; Fanchiotti, Huner; Garca Canal, Carlos A.; Ordez, Carlos R.

    2014-01-15

    A multichannel S-matrix framework for singular quantum mechanics (SQM) subsumes the renormalization and self-adjoint extension methods and resolves its boundary-condition ambiguities. In addition to the standard channel accessible to a distant (asymptotic) observer, one supplementary channel opens up at each coordinate singularity, where local outgoing and ingoing singularity waves coexist. The channels are linked by a fully unitary S-matrix, which governs all possible scenarios, including cases with an apparent nonunitary behavior as viewed from asymptotic distances. -- Highlights: A multichannel framework is proposed for singular quantum mechanics and analogues. The framework unifies several established approaches for singular potentials. Singular points are treated as new scattering channels. Nonunitary asymptotic behavior is subsumed in a unitary multichannel S-matrix. Conformal quantum mechanics and the inverse quartic potential are highlighted.

  12. Thermodynamics of fission products in dispersion fuel designs - first principles modeling of defect behavior in bulk and at interfaces

    SciTech Connect (OSTI)

    Liu, Xiang-yand; Uberuaga, Blas P; Nerikar, Pankaj; Sickafus, Kurt E; Stanek, Chris R

    2009-01-01

    Density functional theory (DFT) calculations of fission product (Xe, Sr, and Cs) incorporation and segregation in alkaline earth metal oxides, HfO{sub 2} and UO{sub 2} oxides, and the MgO/(U, Hf, Ce)O{sub 2} interfaces have been carried out. In the case of UO{sub 2}, the calculations were performed using spin polarization and with a Hubbard U term characterizing the on-sit Coulomb repulsion between the localized 5f electrons. The fission product solution energies in bulk UO{sub 2{+-}x} have been calculated as a function of non-stoichiometry x, and were compared to that in MgO. These calculations demonstrate that the fission product incorporation energies in MgO are higher than in HfO{sub 2}. However, this trend is reversed or reduced for alkaline earth oxides with larger cation sizes. The solution energies of fission products in MgO are substantially higher than in UO{sub 2{+-}x}, except for the case of Sr in the hypostoichiometric case. Due to size effects, the thermodynamic driving force of segregation for Xe and Cs from bulk MgO to the MgO/fluorite interface is strong. However, this driving force is relatively weak for Sr.

  13. Multiple mechanisms of PCB neurotoxicity

    SciTech Connect (OSTI)

    Carpenter, D.O.; Stoner, C.T.; Lawrence, D.A.

    1996-12-31

    Polychlorinated biphenyls (PCBs) have been implicated in cancer, but many of the symptoms in humans exposed to PCBs are related to the nervous system and behavior. We demonstrated three different direct mechanisms whereby PCBs are neurotoxic in rats. By using flow cytometry, we demonstrated that the orthosubstituted PCB congener 2,4,4{prime}, but neither TCDD nor the coplanar PCB congener 3,4,5,3{prime},4{prime}, causes rapid death of cerebellar granule cells. The ortho-substituted congener 2,4,4{prime} reduced long-term potentiation, an indicator of cognitive potential, in hippocampal brain slices, but a similar effect was observed for the coplanar congener 3,4,3{prime},4{prime}, indicating that this effect may be caused by both ortho- and coplanar congeners by mechanisms presumably not mediated via the Ah receptor. It was previously shown that some ortho-substituted PCB congeners cause a reduction in levels of the neurotransmitter dopamine, and we present in vitro and in vivo evidence that this is due to reduction of synthesis of dopamine via inhibition of the enzyme tyrosine hydroxylase. Thus, PCBs have a variety of mechanisms of primary neurotoxicity, and neurotoxicity is a characteristic of ortho-substituted, non-dioxin-like congeners as well as some coplanar congeners. The relative contribution of each of these mechanisms to the loss of cognitive function in humans exposed to PCBs remains to be determined. 42 refs., 3 figs., 1 tab.

  14. Effect of Manufacturing-Induced Defects on Reliability of Composite Wind Turbine Blades

    SciTech Connect (OSTI)

    Julie Chen; Christopher Niezrecki; James Sherwood; Peter Avitabile; Mark Rumsey; Scott Hughes; Stephen Nolet; et al.

    2012-08-31

    In support of DOE’s efforts on developing “affordable, reliable domestic wind power”, this ARRA project brought together a strong, complementary team from academia (University of Massachusetts Lowell), two DOE laboratories (NREL and Sandia), and a major wind turbine blade manufacturer (TPI) to address one of the key issues affecting wind power cost and reliability – manufacturing-induced defects in the blades. The complexity of this problem required the assembled team’s expertise in materials – specifically textile and composite structures – finite element modeling, composites manufacturing, mechanical characterization, structural dynamics, nondestructive inspection (NDI) and structural health monitoring (SHM), sensors, and wind turbine blade testing. This final report summarizes the results of this project.

  15. Enhanced charge recombination due to surfaces and twin defects in GaAs nanostructures

    SciTech Connect (OSTI)

    Brown, Evan; Sheng, Chunyang; Nakano, Aiichiro; Shimamura, Kohei; Shimojo, Fuyuki

    2015-02-07

    Power conversion efficiency of gallium arsenide (GaAs) nanowire (NW) solar cells is severely limited by enhanced charge recombination (CR) at sidewall surfaces, but its atomistic mechanisms are not well understood. In addition, GaAs NWs usually contain a high density of twin defects that form a twin superlattice, but its effects on CR dynamics are largely unknown. Here, quantum molecular dynamics (QMD) simulations reveal the existence of an intrinsic type-II heterostructure at the (110) GaAs surface. Nonadiabatic quantum molecular dynamics (NAQMD) simulations show that the resulting staggered band alignment causes a photoexcited electron in the bulk to rapidly transfer to the surface. We have found orders-of-magnitude enhancement of the CR rate at the surface compared with the bulk value. Furthermore, QMD and NAQMD simulations show unique surface electronic states at alternating (111)A and (111)B sidewall surfaces of a twinned [111]-oriented GaAs NW, which act as effective CR centers. The calculated large surface recombination velocity quantitatively explains recent experimental observations and provides microscopic understanding of the underlying CR processes.

  16. Nonlinear effects in defect production by atomic and molecular ion implantation

    SciTech Connect (OSTI)

    David, C. Dholakia, Manan; Chandra, Sharat; Nair, K. G. M.; Panigrahi, B. K.; Amirthapandian, S.; Amarendra, G.; Varghese Anto, C.; Santhana Raman, P.; Kennedy, John

    2015-01-07

    This report deals with studies concerning vacancy related defects created in silicon due to implantation of 200 keV per atom aluminium and its molecular ions up to a plurality of 4. The depth profiles of vacancy defects in samples in their as implanted condition are carried out by Doppler broadening spectroscopy using low energy positron beams. In contrast to studies in the literature reporting a progressive increase in damage with plurality, implantation of aluminium atomic and molecular ions up to Al{sub 3}, resulted in production of similar concentration of vacancy defects. However, a drastic increase in vacancy defects is observed due to Al{sub 4} implantation. The observed behavioural trend with respect to plurality has even translated to the number of vacancies locked in vacancy clusters, as determined through gold labelling experiments. The impact of aluminium atomic and molecular ions simulated using MD showed a monotonic increase in production of vacancy defects for cluster sizes up to 4. The trend in damage production with plurality has been explained on the basis of a defect evolution scheme in which for medium defect concentrations, there is a saturation of the as-implanted damage and an increase for higher defect concentrations.

  17. Electrochemical method for defect delineation in silicon-on-insulator wafers

    DOE Patents [OSTI]

    Guilinger, Terry R.; Jones, Howland D. T.; Kelly, Michael J.; Medernach, John W.; Stevenson, Joel O.; Tsao, Sylvia S.

    1991-01-01

    An electrochemical method for defect delineation in thin-film SOI or SOS wafers in which a surface of a silicon wafer is electrically connected so as to control the voltage of the surface within a specified range, the silicon wafer is then contacted with an electrolyte, and, after removing the electrolyte, defects and metal contamination in the silicon wafer are identified.

  18. Vacancy-type defects induced by grinding of Si wafers studied by monoenergetic positron beams

    SciTech Connect (OSTI)

    Uedono, Akira; Yoshihara, Nakaaki; Mizushima, Yoriko; Kim, Youngsuk; Nakamura, Tomoji; Ohba, Takayuki; Oshima, Nagayasu; Suzuki, Ryoichi

    2014-10-07

    Vacancy-type defects introduced by the grinding of Czochralski-grown Si wafers were studied using monoenergetic positron beams. Measurements of Doppler broadening spectra of the annihilation radiation and the lifetime spectra of positrons showed that vacancy-type defects were introduced in the surface region (<98 nm), and the major defect species were identified as (i) relatively small vacancies incorporated in dislocations and (ii) large vacancy clusters. Annealing experiments showed that the defect concentration decreased with increasing annealing temperature in the range between 100 and 500C. After 600700C annealing, the defect-rich region expanded up to about 170 nm, which was attributed to rearrangements of dislocation networks, and a resultant emission of point defects toward the inside of the sample. Above 800C, the stability limit of those vacancies was reached and they started to disappear. After the vacancies were annealed out (900C), oxygen-related defects were the major point defects and they were located at <25 nm.

  19. Defects, Entropy, and the Stabilization of Alternative Phase Boundary Orientations in Battery Electrode Particles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Heo, Tae Wook; Tang, Ming; Chen, Long-Qing; Wood, Brandon C.

    2016-01-04

    Using a novel statistical approach that efficiently explores the space of possible defect configurations, our present study investigates the chemomechanical coupling between interfacial structural defects and phase boundary alignments within phase-separating electrode particles. Applied to the battery cathode material LiXFePO4 as an example, the theoretical analysis reveals that small, defect-induced deviations from an ideal interface can lead to dramatic shifts in the orientations of phase boundaries between Li-rich and Li-lean phases, stabilizing otherwise unfavorable orientations. Significantly, this stabilization arises predominantly from configurational entropic factors associated with the presence of the interfacial defects rather than from absolute energetic considerations. The specificmore » entropic factors pertain to the diversity of defect configurations and their contributions to rotational/orientational rigidity of phase boundaries. Comparison of the predictions with experimental observations indicates that the additional entropy contributions indeed play a dominant role under actual cycling conditions, leading to the conclusion that interfacial defects must be considered when analyzing the stability and evolution kinetics of the internal phase microstructure of strongly phase-separating systems. Possible implications for tuning the kinetics of (de)lithiation based on selective defect incorporation are discussed. Ultimately, this understanding can be generalized to the chemomechanics of other defective solid phase boundaries.« less

  20. Atomic-scale investigation of point defects and hydrogen-solute atmospheres on the edge dislocation mobility in alpha iron

    SciTech Connect (OSTI)

    Bhatia, M. A.; Solanki, K. N.; Groh, S.

    2014-08-14

    In this study, we present atomistic mechanisms of 1/2 [111](11{sup }0) edge dislocation interactions with point defects (hydrogen and vacancies) and hydrogen solute atmospheres in body centered cubic (bcc) iron. In metals such as iron, increases in hydrogen concentration can increase dislocation mobility and/or cleavage-type decohesion. Here, we first investigate the dislocation mobility in the presence of various point defects, i.e., change in the frictional stress as the edge dislocation interacts with (a) vacancy, (b) substitutional hydrogen, (c) one substitutional and one interstitial hydrogen, (d) interstitial hydrogen, (e) vacancy and interstitial hydrogen, and (f) two interstitial hydrogen. Second, we examine the role of a hydrogen-solute atmosphere on the rate of local dislocation velocity. The edge dislocation simulation with a vacancy in the compression side of the dislocation and an interstitial hydrogen atom at the tension side exhibit the strongest mechanical response, suggesting a higher potential barrier and hence, the higher frictional stress (i.e., ?83% higher than the pure iron Peierls stress). In the case of a dislocation interacting with a vacancy on the compressive side, the vacancy binds with the edge dislocation, resulting in an increase in the friction stress of about 28% when compared with the Peierls stress of an edge dislocation in pure iron. Furthermore, as the applied strain increases, the vacancy migrates through a dislocation transportation mechanism by attaining a velocity of the same order as the dislocation velocity. For the case of the edge dislocation interacting with interstitial hydrogen on the tension side, the hydrogen atom jumps through one layer perpendicular to the glide plane during the pinning-unpinning process. Finally, our simulation of dislocation interactions with hydrogen show first an increase in the local dislocation velocity followed by a pinning of the dislocation core in the atmosphere, resulting in resistance

  1. Exploration of mechanisms underlying the strain-rate-dependent mechanical property of single chondrocytes

    SciTech Connect (OSTI)

    Nguyen, Trung Dung; Gu, YuanTong

    2014-05-05

    Based on the characterization by Atomic Force Microscopy, we report that the mechanical property of single chondrocytes has dependency on the strain-rates. By comparing the mechanical deformation responses and the Young's moduli of living and fixed chondrocytes at four different strain-rates, we explore the deformation mechanisms underlying this dependency property. We found that the strain-rate-dependent mechanical property of living cells is governed by both of the cellular cytoskeleton and the intracellular fluid when the fixed chondrocytes are mainly governed by their intracellular fluid, which is called the consolidation-dependent deformation behavior. Finally, we report that the porohyperelastic constitutive material model which can capture the consolidation-dependent behavior of both living and fixed chondrocytes is a potential candidature to study living cell biomechanics.

  2. Tight-binding calculation studies of vacancy and adatom defects in graphene

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhang, Wei; Lu, Wen-Cai; Zhang, Hong-Xing; Ho, K. M.; Wang, C. Z.

    2016-02-19

    Computational studies of complex defects in graphene usually need to deal with a larger number of atoms than the current first-principles methods can handle. We show a recently developed three-center tight-binding potential for carbon is very efficient for large scale atomistic simulations and can accurately describe the structures and energies of various defects in graphene. Using the three-center tight-binding potential, we have systematically studied the stable structures and formation energies of vacancy and embedded-atom defects of various sizes up to 4 vacancies and 4 embedded atoms in graphene. In conclusion, our calculations reveal low-energy defect structures and provide a moremore » comprehensive understanding of the structures and stability of defects in graphene.« less

  3. Localized states and their stability in an anharmonic medium with a nonlinear defect

    SciTech Connect (OSTI)

    Gerasimchuk, I. V.

    2015-10-15

    A comprehensive analysis of soliton states localized near a plane defect (a defect layer) possessing nonlinear properties is carried out within a quasiclassical approach for different signs of nonlinearity of the medium and different characters of interaction of elementary excitations of the medium with the defect. A quantum interpretation is given to these nonlinear localized modes as a bound state of a large number of elementary excitations. The domains of existence of such states are determined, and their properties are analyzed as a function of the character of interaction of elementary excitations between each other and with the defect. A full analysis of the stability of all the localized states with respect to small perturbations of amplitude and phase is carried out analytically, and the frequency of small oscillations of the state localized on the defect is determined.

  4. Time constant of defect relaxation in ion-irradiated 3C-SiC

    SciTech Connect (OSTI)

    Wallace, J. B.; Bayu Aji, L. B.; Kucheyev, S. O.; Shao, L.

    2015-05-18

    Above room temperature, the buildup of radiation damage in SiC is a dynamic process governed by the mobility and interaction of ballistically generated point defects. Here, we study the dynamics of radiation defects in 3C-SiC bombarded at 100 °C with 500 keV Ar ions, with the total ion dose split into a train of equal pulses. Damage–depth profiles are measured by ion channeling for a series of samples irradiated under identical conditions except for different durations of the passive part of the beam cycle. Results reveal an effective defect relaxation time constant of ∼3 ms (for second order kinetics) and a dynamic annealing efficiency of ∼40% for defects in both Si and C sublattices. This demonstrates a crucial role of dynamic annealing at elevated temperatures and provides evidence of the strong coupling of defect accumulation processes in the two sublattices of 3C-SiC.

  5. Exploring the interaction between lithium ion and defective graphene surface using dispersion corrected DFT studies

    SciTech Connect (OSTI)

    Vijayakumar, M.; Hu, Jian Z.

    2013-10-15

    To analyze the lithium ion interaction with realistic graphene surfaces, we carried out dispersion corrected DFT-D3 studies on graphene with common point defects and chemisorbed oxygen containing functional groups along with defect free graphene surface. Our study reveals that, the interaction between lithium ion (Li+) and graphene is mainly through the delocalized π electron of pure graphene layer. However, the oxygen containing functional groups pose high adsorption energy for lithium ion due to the Li-O ionic bond formation. Similarly, the point defect groups interact with lithium ion through possible carbon dangling bonds and/or cation-π type interactions. Overall these defect sites render a preferential site for lithium ions compared with pure graphene layer. Based on these findings, the role of graphene surface defects in lithium battery performance were discussed.

  6. First-principles study of noble gas impurities and defects in UO{sub 2}

    SciTech Connect (OSTI)

    Thompson, Alexander E.; Wolverton, C.

    2011-10-01

    We performed a series of density functional theory + U (DFT + U) calculations to explore the energetics of various defects in UO{sub 2}, i.e., noble gases (He, Ne, Ar, Kr, Xe), Schottky defects, and the interaction between these defects. We found the following: (1) collinear antiferromagnetic UO{sub 2} has an energy-lowering distortion of the oxygen sublattice from ideal fluorite positions; (2) DFT + U qualitatively affects the formation volume of Schottky defect clusters in UO{sub 2} (without U the formation volume is negative, but including U the formation volume is positive); (3) the configuration of the Schottky defect cluster is dictated by a competition between electrostatic and surface energy effects; (4) the incorporation energy of inserting noble gas atoms into an interstitial site has a strong dependence on the volume of the noble gas atom, corresponding to the strain it causes in the interstitial site, from He (0.98 eV) to Xe (9.73 eV); (5) the energetics of each of the noble gas atoms incorporated in Schottky defects show strong favorable binding, due to strain relief associated with moving the noble gas atom from the highly strained interstitial position into the vacant space of the Schottky defect; and (6) for argon, krypton, and xenon, the binding energy of a noble gas impurity with the Schottky defect is larger than the formation energy of a Schottky defect, thereby making the formation of Schottky defects thermodynamically favorable in the presence of these large impurities.

  7. Interaction of Sn atoms with defects introduced by ion implantation in Ge substrate

    SciTech Connect (OSTI)

    Taoka, Noriyuki Fukudome, Motoshi; Takeuchi, Wakana; Arahira, Takamitsu; Sakashita, Mitsuo; Nakatsuka, Osamu; Zaima, Shigeaki

    2014-05-07

    The interaction of Sn atoms with defects induced by Sn implantation of Ge substrates with antimony (Sb) as an n-type dopant and the impact of H{sub 2} annealing on these defects were investigated by comparison with defects induced by Ge self-implantation. In the Ge samples implanted with either Sn or Ge, and annealed at temperatures of less than 200?C, divacancies, Sb-vacancy complexes with single or double acceptor-like states, and defects related to Sb and interstitial Ge atoms were present. On the other hand, after annealing at 500?C in an N{sub 2} or H{sub 2} atmosphere, defects with different structures were observed in the Sn-implanted samples by deep level transition spectroscopy. The energy levels of the defects were 0.33?eV from the conduction band minimum and 0.55?eV from the valence band maximum. From the capacitance-voltage (C-V) characteristics, interaction between Sn atoms and defects after annealing at 500?C was observed. The effect of H{sub 2} annealing at around 200?C was observed in the C-V characteristics, which can be attributed to hydrogen passivation, and this effect was observed in both the Ge- and Sn-implanted samples. These results suggest the presence of defects that interact with Sn or hydrogen atoms. This indicates the possibility of defect control in Ge substrates by Sn or hydrogen incorporation. Such defect control could yield high-performance Ge-based devices.

  8. Prediction of failure behavior of a welded pressure vessel containing flaws during a hydrogen-charged burst test

    SciTech Connect (OSTI)

    Bhuyan, G.S.; Sperling, E.J.; Shen, G.; Yin, H.; Rana, M.D.

    1996-12-01

    An industry-government collaborative program was carried out with an aim to promoting the acceptance of fracture mechanics based fitness-for-service assessment methodology for a service-damaged pressure vessel. A collaborative round robin exercise was carried out to predict the fracture behavior of a vessel containing hydrogen damage, fabrication related lack-of-fusion defects, an artificially induced fatigue crack and a localized thinned area. The fracture assessment procedures used include the US ASME Material Property Council`s PREFIS Program based on the British Standard (BS) Published Document (PD) 6493, ASME Section XI and The Central Electricity Generating Board (CEGB) R6 approach; The welding Institute (TWI) CRACKWISE program (based on BS PD6493 Level 2 approach), a variant of the R6 approach, J-tearing instability approaches, various J-estimation schemes, LEFM approach and simplified stress analysis. Assessments were compared with the results obtained from a hydrogen charged burst test of the vessel. Predictions, based on the J-tearing approach, compared well with the actual burst test results. Actual burst pressure was about five times the operating pressure.

  9. Prediction of failure behavior of a welded pressure vessel containing flaws during a hydrogen-charged burst test

    SciTech Connect (OSTI)

    Bhuyan, G.S.; Sperling, E.J.; Shen, G.; Yin, H.; Rana, M.D.

    1999-08-01

    An industry-government collaborative program was carried out with an aim to promoting the acceptance of fracture mechanics-based fitness-for-service assessment methodology for a service-damaged pressure vessel. A collaborative round robin exercise was carried out to predict the fracture behavior of a vessel containing hydrogen damage, fabrication-related lack-of-fusion defects, an artificially induced fatigue crack, and a localized thinned area. The fracture assessment procedures used include the US ASME Material Property Council`s PREFIS Program based on the British Standard (BS) Published Document (PD) 6493, ASME Section XI and The Central Electricity Generating Board (CEGB) R6 approach, The Welding Institute (TWI) CRACKWISE program (based on BS PD6493 Level 2 approach), a variant of the R6 approach, J-tearing instability approaches, various J-estimation schemes, LEFM approach, and simplified stress analysis. Assessments were compared with the results obtained from a hydrogen-charged burst test of the vessel. Predictions, based on the J-tearing approach, compared well with the actual burst test results. Actual burst pressure was about five times the operating pressure.

  10. Preparation of Simulated LBL Defects for Round Robin Experiment

    SciTech Connect (OSTI)

    Gerczak, Tyler J.; Baldwin, Charles A.; Hunn, John D.; Montgomery, Fred C.

    2015-12-01

    A critical characteristic of the TRISO fuel design is its ability to retain fission products. During reactor operation, the TRISO layers act as barriers to release of fission products not stabilized in the kernel. Each component of the TRISO particle and compact construction plays a unique role in retaining select fission products, and layer performance is often interrelated. The IPyC, SiC, and OPyC layers are barriers to the release of fission product gases such as Kr and Xe. The SiC layer provides the primary barrier to release of metallic fission products not retained in the kernel, as transport across the SiC layer is rate limiting due to the greater permeability of the IPyC and OPyC layers to many metallic fission products. These attributes allow intact TRISO coatings to successfully retain most fission products released from the kernel, with the majority of released fission products during operation being due to defective, damaged, or failed coatings. This dominant release of fission products from compromised particles contributes to the overall source term in reactor; causing safety and maintenance concerns and limiting the lifetime of the fuel. Under these considerations, an understanding of the nature and frequency of compromised particles is an important part of predicting the expected fission product release and ensuring safe and efficient operation.

  11. Control of Suspect/Counterfeit and Defective Items

    SciTech Connect (OSTI)

    Sheriff, Marnelle L.

    2013-09-03

    This procedure implements portions of the requirements of MSC-MP-599, Quality Assurance Program Description. It establishes the Mission Support Alliance (MSA) practices for minimizing the introduction of and identifying, documenting, dispositioning, reporting, controlling, and disposing of suspect/counterfeit and defective items (S/CIs). employees whose work scope relates to Safety Systems (i.e., Safety Class [SC] or Safety Significant [SS] items), non-safety systems and other applications (i.e., General Service [GS]) where engineering has determined that their use could result in a potential safety hazard. MSA implements an effective Quality Assurance (QA) Program providing a comprehensive network of controls and verification providing defense-in-depth by preventing the introduction of S/CIs through the design, procurement, construction, operation, maintenance, and modification of processes. This procedure focuses on those safety systems, and other systems, including critical load paths of lifting equipment, where the introduction of S/CIs would have the greatest potential for creating unsafe conditions.

  12. Philosophy of Mind and the Problem of FreeWill in the Light of Quantum Mechanics.

    SciTech Connect (OSTI)

    Stapp, Henry; Stapp, Henry P

    2008-04-01

    Arguments pertaining to the mind-brain connection and to the physical effectiveness of our conscious choices have been presented in two recent books, one by John Searle, the other by Jaegwon Kim. These arguments are examined, and it is argued that the difficulties encountered arise from a defective understanding and application of a pertinent part of contemporary science, namely quantum mechanics.

  13. Effect of defect imbalance on void swelling distributions produced in pure iron irradiated with 3.5MeV self-ions

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shao, Lin; Wei, C. -C.; Gigax, J.; Aitkaliyeva, A.; Chen, D.; Sencer, B. H.; Garner, F. A.

    2014-06-10

    Ion irradiation has been widely used to simulate neutron-induced radiation damage. There are a number of features of ion-induced damage that differ from neutron-induced damage, however, and these differences require investigation before ion data can be confidently used to predict behavior arising from neutron bombardment. In this study 3.5 MeV self-ion irradiation of pure iron was used to study the influence on void swelling of the depth-dependent defect imbalance between vacancies and interstitials that arises from various surface effects, forward scattering of displaced atoms, and especially the injected interstitial effect. It was observed that the depth dependence of void swellingmoredoes not follow the behavior anticipated from the depth dependence of the damage rate. Void nucleation and growth develop first in the lower-dose, near-surface region, and then moves to progressively deeper and higher-damage depths during continued irradiation. This indicates a strong initial suppression of void nucleation in the peak damage region that is eventually overcome with continued irradiation. Using the Boltzmann transport equation method, this phenomenon is shown to be due to depth-dependent defect imbalances created under ion irradiation. As a result, these findings demonstrate that void swelling does not depend solely on the local dose level and that this sensitivity of swelling to depth must be considered in extraction and interpretation of ion-induced swelling data.less

  14. Effect of defect imbalance on void swelling distributions produced in pure iron irradiated with 3.5 MeV self-ions

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shao, Lin; Wei, C. -C.; Gigax, J.; Aitkaliyeva, A.; Chen, D.; Sencer, B. H.; Garner, F. A.

    2014-06-10

    Ion irradiation has been widely used to simulate radiation damage induced by neutrons. However, there are a number of features of ion-induced damage that differ from neutron-induced damage, and these differences require investigation before behavior arising from neutron bombardment can be confidently predicted from ion data. In this study 3.5 MeV self-ion irradiation of pure iron was used to study the influence on void swelling of the depth-dependent defect imbalance between vacancies and interstitials that arises from various surface effects, forward scattering of displaced atoms, and especially the injected interstitial effect. The depth dependence of void swelling was observed notmore » to follow the behavior anticipated from the depth dependence of the damage rate. Void nucleation and growth develop first in the lower-dose, near-surface region, and then, during continued irradiation, move to progressively deeper and higher-damage depths. This indicates a strong initial suppression of void nucleation in the peak damage region that continued irradiation eventually overcomes. This phenomenon is shown by the Boltzmann transport equation method to be due to depth-dependent defect imbalances created under ion irradiation. These findings thus demonstrate that void swelling does not depend solely on the local dose level and that this sensitivity of swelling to depth must be considered in extracting and interpreting ion-induced swelling data.« less

  15. Effect of defect imbalance on void swelling distributions produced in pure iron irradiated with 3.5 MeV self-ions

    SciTech Connect (OSTI)

    Shao, Lin; Wei, C. -C.; Gigax, J.; Aitkaliyeva, A.; Chen, D.; Sencer, B. H.; Garner, F. A.

    2014-06-10

    Ion irradiation has been widely used to simulate radiation damage induced by neutrons. However, there are a number of features of ion-induced damage that differ from neutron-induced damage, and these differences require investigation before behavior arising from neutron bombardment can be confidently predicted from ion data. In this study 3.5 MeV self-ion irradiation of pure iron was used to study the influence on void swelling of the depth-dependent defect imbalance between vacancies and interstitials that arises from various surface effects, forward scattering of displaced atoms, and especially the injected interstitial effect. The depth dependence of void swelling was observed not to follow the behavior anticipated from the depth dependence of the damage rate. Void nucleation and growth develop first in the lower-dose, near-surface region, and then, during continued irradiation, move to progressively deeper and higher-damage depths. This indicates a strong initial suppression of void nucleation in the peak damage region that continued irradiation eventually overcomes. This phenomenon is shown by the Boltzmann transport equation method to be due to depth-dependent defect imbalances created under ion irradiation. These findings thus demonstrate that void swelling does not depend solely on the local dose level and that this sensitivity of swelling to depth must be considered in extracting and interpreting ion-induced swelling data.

  16. Effect of defect imbalance on void swelling distributions produced in pure iron irradiated with 3.5 MeV self-ions

    SciTech Connect (OSTI)

    Lin Shao; C.-C. Wei; J. Gigax; A. Aitkaliyeva; D. Chen; B.H. Sencer; F.A. Garner

    2014-10-01

    Ion irradiation has been widely used to simulate neutron-induced radiation damage. There are a number of features of ion-induced damage that differ from neutron-induced damage, however, and these differences require investigation before ion data can be confidently used to predict behavior arising from neutron bombardment. In this study 3.5 MeV self-ion irradiation of pure iron was used to study the influence on void swelling of the depth-dependent defect imbalance between vacancies and interstitials that arises from various surface effects, forward scattering of displaced atoms, and especially the injected interstitial effect. It was observed that the depth dependence of void swelling does not follow the behavior anticipated from the depth dependence of the damage rate. Void nucleation and growth develop first in the lower-dose, near-surface region, and then moves to progressively deeper and higher-damage depths during continued irradiation. This indicates a strong initial suppression of void nucleation in the peak damage region that is eventually overcome with continued irradiation. Using the Boltzmann transport equation method, this phenomenon is shown to be due to depth-dependent defect imbalances created under ion irradiation. These findings demonstrate that void swelling does not depend solely on the local dose level and that this sensitivity of swelling to depth must be considered in extraction and interpretation of ion-induced swelling data. 2014 El

  17. Researchers examine behavior of amorphous materials under high strain

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Behavior of amorphous materials under high strain Researchers examine behavior of amorphous materials under high strain The findings offer a new way to monitor the onset of plastic deformation and mechanical properties of materials. February 10, 2016 Shown is simulation of a reversible avalanche in an amorphous solid under a periodic shear. Darker regions indicate where particles have been displaced more. The motion is exactly repeated during the next drive cycle. Above a critical strain, the

  18. Irradiation Effects on Human Cortical Bone Fracture Behavior

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Irradiation Effects on Human Cortical Bone Fracture Behavior Print Human bone is strong but still fallible. To better predict fracturing in bone, researchers need a mechanistic framework to understand the changes taking place on different size scales within bone, as well as the role of sustained irradiation damage. Combining in situ mechanical testing with synchrotron x-ray diffraction imaging and/or tomography, is a popular method of investigating micrometer deformation and fracture behavior in

  19. Irradiation Effects on Human Cortical Bone Fracture Behavior

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Irradiation Effects on Human Cortical Bone Fracture Behavior Print Human bone is strong but still fallible. To better predict fracturing in bone, researchers need a mechanistic framework to understand the changes taking place on different size scales within bone, as well as the role of sustained irradiation damage. Combining in situ mechanical testing with synchrotron x-ray diffraction imaging and/or tomography, is a popular method of investigating micrometer deformation and fracture behavior in

  20. Irradiation Effects on Human Cortical Bone Fracture Behavior

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Irradiation Effects on Human Cortical Bone Fracture Behavior Print Human bone is strong but still fallible. To better predict fracturing in bone, researchers need a mechanistic framework to understand the changes taking place on different size scales within bone, as well as the role of sustained irradiation damage. Combining in situ mechanical testing with synchrotron x-ray diffraction imaging and/or tomography, is a popular method of investigating micrometer deformation and fracture behavior in

  1. Irradiation Effects on Human Cortical Bone Fracture Behavior

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Irradiation Effects on Human Cortical Bone Fracture Behavior Print Human bone is strong but still fallible. To better predict fracturing in bone, researchers need a mechanistic framework to understand the changes taking place on different size scales within bone, as well as the role of sustained irradiation damage. Combining in situ mechanical testing with synchrotron x-ray diffraction imaging and/or tomography, is a popular method of investigating micrometer deformation and fracture behavior in

  2. Irradiation Effects on Human Cortical Bone Fracture Behavior

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Irradiation Effects on Human Cortical Bone Fracture Behavior Print Human bone is strong but still fallible. To better predict fracturing in bone, researchers need a mechanistic framework to understand the changes taking place on different size scales within bone, as well as the role of sustained irradiation damage. Combining in situ mechanical testing with synchrotron x-ray diffraction imaging and/or tomography, is a popular method of investigating micrometer deformation and fracture behavior in

  3. Irradiation Effects on Human Cortical Bone Fracture Behavior

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Irradiation Effects on Human Cortical Bone Fracture Behavior Print Human bone is strong but still fallible. To better predict fracturing in bone, researchers need a mechanistic framework to understand the changes taking place on different size scales within bone, as well as the role of sustained irradiation damage. Combining in situ mechanical testing with synchrotron x-ray diffraction imaging and/or tomography, is a popular method of investigating micrometer deformation and fracture behavior in

  4. Irradiation Effects on Human Cortical Bone Fracture Behavior

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Irradiation Effects on Human Cortical Bone Fracture Behavior Irradiation Effects on Human Cortical Bone Fracture Behavior Print Wednesday, 28 July 2010 00:00 Human bone is strong but still fallible. To better predict fracturing in bone, researchers need a mechanistic framework to understand the changes taking place on different size scales within bone, as well as the role of sustained irradiation damage. Combining in situ mechanical testing with synchrotron x-ray diffraction imaging and/or

  5. Optical method and apparatus for detection of surface and near-subsurface defects in dense ceramics

    DOE Patents [OSTI]

    Ellingson, W.A.; Brada, M.P.

    1995-06-20

    A laser is used in a non-destructive manner to detect surface and near-subsurface defects in dense ceramics and particularly in ceramic bodies with complex shapes such as ceramic bearings, turbine blades, races, and the like. The laser`s wavelength is selected based upon the composition of the ceramic sample and the laser can be directed on the sample while the sample is static or in dynamic rotate or translate motion. Light is scattered off surface and subsurface defects using a preselected polarization. The change in polarization angle is used to select the depth and characteristics of surface/subsurface defects. The scattered light is detected by an optical train consisting of a charge coupled device (CCD), or vidicon, television camera which, in turn, is coupled to a video monitor and a computer for digitizing the image. An analyzing polarizer in the optical train allows scattered light at a given polarization angle to be observed for enhancing sensitivity to either surface or near-subsurface defects. Application of digital image processing allows subtraction of digitized images in near real-time providing enhanced sensitivity to subsurface defects. Storing known ``feature masks`` of identified defects in the computer and comparing the detected scatter pattern (Fourier images) with the stored feature masks allows for automatic classification of detected defects. 29 figs.

  6. Optical method and apparatus for detection of surface and near-subsurface defects in dense ceramics

    DOE Patents [OSTI]

    Ellingson, William A.; Brada, Mark P.

    1995-01-01

    A laser is used in a non-destructive manner to detect surface and near-subsurface defects in dense ceramics and particularly in ceramic bodies with complex shapes such as ceramic bearings, turbine blades, races, and the like. The laser's wavelength is selected based upon the composition of the ceramic sample and the laser can be directed on the sample while the sample is static or in dynamic rotate or translate motion. Light is scattered off surface and subsurface defects using a preselected polarization. The change in polarization angle is used to select the depth and characteristics of surface/subsurface defects. The scattered light is detected by an optical train consisting of a charge coupled device (CCD), or vidicon, television camera which, in turn, is coupled to a video monitor and a computer for digitizing the image. An analyzing polarizer in the optical train allows scattered light at a given polarization angle to be observed for enhancing sensitivity to either surface or near-subsurface defects. Application of digital image processing allows subtraction of digitized images in near real-time providing enhanced sensitivity to subsurface defects. Storing known "feature masks" of identified defects in the computer and comparing the detected scatter pattern (Fourier images) with the stored feature masks allows for automatic classification of detected defects.

  7. Evolution of iron-containing defects during processing of Si solar cells

    SciTech Connect (OSTI)

    Mchedlidze, Teimuraz Weber, Jrg; Mller, Christian; Lauer, Kevin

    2014-12-28

    The formation of iron-containing defects was studied during the fabrication process of a Si solar cell. Three Cz-Si crystals with different iron content in the feedstock were grown for the study. Iron-containing defects in and near-to the n{sup +}p-junction volume (NJV) of the cells are formed directly after phosphorus diffusion due to an inflow of iron atoms from the dissolving iron-silicide precipitates. These NJV-defects strongly affect the dark saturation current of the junctions. Partial dissolution or gettering of the NJV-defects during formation of the antireflection coating is accompanied by an increase in defect concentrations in the bulk of the cell. Further deterioration of bulk carrier lifetime during the formation of electrical contacts is related to the partial dissolution of remaining iron-silicide precipitates during the firing process. A general description of the defect evolution in iron-contaminated wafers during solar cell processing is presented and possible strategies for reducing the influence of iron-containing defects are proposed.

  8. Screening method for selecting semiconductor substrates having defects below a predetermined level in an oxide layer

    DOE Patents [OSTI]

    Warren, W.L.; Vanheusden, K.J.R.; Schwank, J.R.; Fleetwood, D.M.; Shaneyfelt, M.R.; Winokur, P.S.; Devine, R.A.B.

    1998-07-28

    A method is disclosed for screening or qualifying semiconductor substrates for integrated circuit fabrication. The method comprises the steps of annealing at least one semiconductor substrate at a first temperature in a defect-activating ambient (e.g. hydrogen, forming gas, or ammonia) for sufficient time for activating any defects within on oxide layer of the substrate; measuring a defect-revealing electrical characteristic of at least a portion of the oxide layer for determining a quantity of activated defects therein; and selecting substrates for which the quantity of activated defects is below a predetermined level. The defect-revealing electrical characteristic may be a capacitance-versus voltage (C-V) characteristic or a current-versus-voltage (I-V) characteristic that is dependent on an electrical charge in the oxide layer generated by the activated defects. Embodiments of the present invention may be applied for screening any type of semiconductor substrate or wafer having an oxide layer formed thereon or therein. This includes silicon-on-insulator substrates formed by a separation by the implantation of oxygen (SIMOX) process or the bond and etch back silicon-on-insulator (BESOI) process, as well as silicon substrates having a thermal oxide layer or a deposited oxide layer. 5 figs.

  9. Screening method for selecting semiconductor substrates having defects below a predetermined level in an oxide layer

    DOE Patents [OSTI]

    Warren, William L.; Vanheusden, Karel J. R.; Schwank, James R.; Fleetwood, Daniel M.; Shaneyfelt, Marty R.; Winokur, Peter S.; Devine, Roderick A. B.

    1998-01-01

    A method for screening or qualifying semiconductor substrates for integrated circuit fabrication. The method comprises the steps of annealing at least one semiconductor substrate at a first temperature in a defect-activating ambient (e.g. hydrogen, forming gas, or ammonia) for sufficient time for activating any defects within on oxide layer of the substrate; measuring a defect-revealing electrical characteristic of at least a portion of the oxide layer for determining a quantity of activated defects therein; and selecting substrates for which the quantity of activated defects is below a predetermined level. The defect-revealing electrical characteristic may be a capacitance-versus-voltage (C-V) characteristic or a current-versus-voltage (I-V) characteristic that is dependent on an electrical charge in the oxide layer generated by the activated defects. Embodiments of the present invention may be applied for screening any type of semiconductor substrate or wafer having an oxide layer formed thereon or therein. This includes silicon-on-insulator substrates formed by a separation by the implantation of oxygen (SIMOX) process or the bond and etch back silicon-on-insulator (BESOI) process, as well as silicon substrates having a thermal oxide layer or a deposited oxide layer.

  10. Understanding Creep Mechanisms in Graphite with Experiments, Multiscale Simulations, and Modeling

    SciTech Connect (OSTI)

    Eapen, Jacob; Murty, Korukonda; Burchell, Timothy

    2014-06-02

    Disordering mechanisms in graphite have a long history with conflicting viewpoints. Using Raman and x-ray photon spectroscopy, electron microscopy, x-ray diffraction experiments and atomistic modeling and simulations, the current project has developed a fundamental understanding of early-to-late state radiation damage mechanisms in nuclear reactor grade graphite (NBG-18 and PCEA). We show that the topological defects in graphite play an important role under neutron and ion irradiation.

  11. Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H+(H2O)n=2 – 28 Clusters

    SciTech Connect (OSTI)

    Fournier, Joseph A.; Wolke, Conrad T.; Johnson, Mark A.; Odbadrakh, Tuguldur T.; Jordan, Kenneth D.; Kathmann, Shawn M.; Xantheas, Sotiris S.

    2015-07-09

    In this Article, we review the role of gas-phase, size-selected protonated water clusters, H+(H2O)n, in the analysis of the microscopic mechanics responsible for the behavior of the excess proton in bulk water. We extend upon previous studies of the smaller, two-dimensional sheet-like structures to larger (n≥10) assemblies with three-dimensional cage morphologies which better mimic the bulk environment. Indeed, clusters in which a complete second solvation shell forms around a surface-embedded hydronium ion yield vibrational spectra where the signatures of the proton defect display strikingly similar positions and breadth to those observed in dilute acids. We investigate effects of the local structure and intermolecular interactions on the large red shifts observed in the proton vibrational signature upon cluster growth using various theoretical methods. We show that, in addition to sizeable anharmonic couplings, the position of the excess proton vibration can be traced to large increases in the electric field exerted on the embedded hydronium ion upon formation of the first and second solvation shells. MAJ acknowledges support from the U.S. Department of Energy under Grant No. DE-FG02- 06ER15800 as well as the facilities and staff of the Yale University Faculty of Arts and Sciences High Performance Computing Center, and by the National Science Foundation under Grant No. CNS 08-21132 that partially funded acquisition of the facilities. SMK and SSX acknowledge support from the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

  12. Defect-band mediated ferromagnetism in Gd-doped ZnO thin films

    SciTech Connect (OSTI)

    Venkatesh, S.; Roqan, I. S.; Franklin, J. B.; Ryan, M. P.; McLachlan, M. A.; Alford, N. M.; Lee, J.-S.; Ohldag, Hendrik

    2015-01-07

    Gd-doped ZnO thin films prepared by pulsed laser deposition with Gd concentrations varying from 0.02–0.45 atomic percent (at. %) showed deposition oxygen pressure controlled ferromagnetism. Thin films prepared with Gd dopant levels (defect band formed due to oxygen deficiency related defect complexes. Mott's theory of variable range of hopping conduction confirms the formation of the impurity/defect band near the Fermi level.

  13. Kinetic model for electric-field induced point defect redistribution near semiconductor surfaces

    SciTech Connect (OSTI)

    Gorai, Prashun; Seebauer, Edmund G.

    2014-07-14

    The spatial distribution of point defects near semiconductor surfaces affects the efficiency of devices. Near-surface band bending generates electric fields that influence the spatial redistribution of charged mobile defects that exchange infrequently with the lattice, as recently demonstrated for pile-up of isotopic oxygen near rutile TiO{sub 2} (110). The present work derives a mathematical model to describe such redistribution and establishes its temporal dependence on defect injection rate and band bending. The model shows that band bending of only a few meV induces significant redistribution, and that the direction of the electric field governs formation of either a valley or a pile-up.

  14. Identification of luminescent surface defect in SiC quantum dots

    SciTech Connect (OSTI)

    Dai, Dejian; Guo, Xiaoxiao; Fan, Jiyang

    2015-02-02

    The surface defect that results in the usually observed blue luminescence in the SiC quantum dots (QDs) remains unclear. We experimentally identify that the surface defect C=O (in COO) is responsible for this constant blue luminescence. The HOC=O [n{sub (OH)} ? ?*{sub (CO)}] interaction between the hydroxyl and carbonyl groups changes the energy levels of C=O and makes the light absorption/emission arise at around 326/438?nm. Another surface defect (SiSi) is identified and its light absorption contributes to both C=O-related luminescence and quantum-confinement luminescence of the SiC QDs.

  15. Structural defects in GaN revealed by Transmission Electron Microscopy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Liliental-Weber, Zuzanna

    2014-09-08

    This paper reviews the various types of structural defects observed by Transmission Electron Microscopy in GaN heteroepitaxial layers grown on foreign substrates and homoepitaxial layers grown on bulk GaN substrates. The structural perfection of these layers is compared to the platelet self-standing crystals grown by High Nitrogen Pressure Solution. Defects in undoped and Mg doped GaN are discussed. Lastly, some models explaining the formation of inversion domains in heavily Mg doped layers that are possible defects responsible for the difficulties of p-doping in GaN are also reviewed.

  16. Process Guide for the Identification and Disposition of S/CI or Defective

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Items at Department of Energy Facilities | Department of Energy Process Guide for the Identification and Disposition of S/CI or Defective Items at Department of Energy Facilities Process Guide for the Identification and Disposition of S/CI or Defective Items at Department of Energy Facilities August 2011 The Process Guide for the Identification and Disposition of S/CI or Defective Items was developed to help DOE facilities to collect, screen, communicate information, and dispose of S/CI or

  17. Structural defects in GaN revealed by Transmission Electron Microscopy

    SciTech Connect (OSTI)

    Liliental-Weber, Zuzanna

    2014-04-18

    This paper reviews the various types of structural defects observed by Transmission Electron Microscopy in GaN heteroepitaxial layers grown on foreign substrates and homoepitaxial layers grown on bulk GaN substrates. The structural perfection of these layers is compared to the platelet self-standing crystals grown by High Nitrogen Pressure Solution. Defects in undoped and Mg doped GaN are discussed. Some models explaining the formation of inversion domains in heavily Mg doped layers that are possible defects responsible for the difficulties of p-doping in GaN are also reviewed.

  18. reflecting-behavioral-processes

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Reflecting Behavioral Processes In Integrated Models Of Activity-Travel Demand And Dynamic Network Supply: A Novel Event-Based Framework Presentation at Argonne TRACC March 16, 2012 10:00 AM(CDT) TRACC Conference Room: Building 222, Room D-233 Dr. Karthik Charan Konduri School of Sustainable Energy and the Built Environment Arizona State University Abstract The developments in the microsimulation modeling of two key components of the transportation system, namely, activity-travel demand and

  19. Internal pipe attachment mechanism

    DOE Patents [OSTI]

    Bast, R.M.; Chesnut, D.A.; Henning, C.D.; Lennon, J.P.; Pastrnak, J.W.; Smith, J.A.

    1994-12-13

    An attachment mechanism is described for repairing or extending fluid carrying pipes, casings, conduits, etc. utilizing one-way motion of spring tempered fingers to provide a mechanical connection between the attachment mechanism and the pipe. The spring tempered fingers flex to permit insertion into a pipe to a desired insertion depth. The mechanical connection is accomplished by reversing the insertion motion and the mechanical leverage in the fingers forces them outwardly against the inner wall of the pipe. A seal is generated by crushing a sealing assembly by the action of setting the mechanical connection. 6 figures.

  20. Internal pipe attachment mechanism

    DOE Patents [OSTI]

    Bast, Richard M.; Chesnut, Dwayne A.; Henning, Carl D.; Lennon, Joseph P.; Pastrnak, John W.; Smith, Joseph A.

    1994-01-01

    An attachment mechanism for repairing or extending fluid carrying pipes, casings, conduits, etc. utilizing one-way motion of spring tempered fingers to provide a mechanical connection between the attachment mechanism and the pipe. The spring tempered fingers flex to permit insertion into a pipe to a desired insertion depth. The mechanical connection is accomplished by reversing the insertion motion and the mechanical leverage in the fingers forces them outwardly against the inner wall of the pipe. A seal is generated by crushing a sealing assembly by the action of setting the mechanical connection.

  1. Investigation of deep-level defects in Cu(In,Ga)Se{sub 2} thin films by a steady-state photocapacitance method

    SciTech Connect (OSTI)

    Hu, Xiaobo, E-mail: hxb1314@gmail.com; Sakurai, Takeaki; Akimoto, Katsuhiro [Institute of Applied Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8573 (Japan); Yamada, Akimasa; Ishizuka, Shogo; Niki, Sigeru [National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan)

    2014-10-28

    The properties of defect levels located 0.8?eV above the valence band in Cu(In{sub 1?x},Ga{sub x})Se{sub 2} thin films were investigated by a steady-state photocapacitance method. When illuminated by light with a photon energy of 0.8?eV at 60?K, a fast increase, followed by a slow increase, was observed in the photocapacitance transients of all samples. Upon being re-exposed, samples with a low bandgap energy showed a slow decrease in photocapacitance transients. These observations were interpreted using a configuration coordinate model assuming two states for the 0.8?eV defect: a stable state D and its metastable state D* with a large lattice relaxation. The difference in the evolution mechanisms of the photocapacitance transients was attributed to the difference in the optical transition of carriers between the two states of the 0.8?eV defect and the valence and conduction bands.

  2. Evidence for a defect level above the conduction band edge of InAs/InAsSb type-II superlattices for applications in efficient infrared photodetectors

    SciTech Connect (OSTI)

    Prins, A. D.; Lewis, M. K.; Bushell, Z. L.; Sweeney, S. J.; Liu, S.; Zhang, Y.-H.

    2015-04-27

    We report pressure-dependent photoluminescence (PL) experiments under hydrostatic pressures up to 2.16?GPa on a mid-wave infrared InAs/InAs{sub 0.86}Sb{sub 0.14} type-II superlattice (T2SL) structure at different pump laser excitation powers and sample temperatures. The pressure coefficient of the T2SL transition was found to be 93??2?meVGPa{sup ?1}. The integrated PL intensity increases with pressure up to 1.9?GPa then quenches rapidly indicating a pressure induced level crossing with the conduction band states at ?2?GPa. Analysis of the PL intensity as a function of excitation power at 0, 0.42, 1.87, and 2.16?GPa shows a clear change in the dominant photo-generated carrier recombination mechanism from radiative to defect related. From these data, evidence for a defect level situated at 0.18??0.01?eV above the conduction band edge of InAs at ambient pressure is presented. This assumes a pressure-dependent energy shift of ?11?meVGPa{sup ?1} for the valence band edge and that the defect level is insensitive to pressure, both of which are supported by an Arrhenius activation energy analysis.

  3. Behavior, Energy and Climate Change

    Broader source: Energy.gov [DOE]

    The Behavior, Energy and Climate Change Conference (BECC) is the premier international conference focused on understanding human behavior and decision making so that this knowledge can accelerate the transition to an energy-efficient and low-carbon future.

  4. Behavior-based Energy Efficiency

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Behavior-based Energy Efficiency in the Pacific Northwest Clark PUD and BPA teamed up for a pilot of an innovative behavior-based energy efficiency program. Clark's pilot design...

  5. Influence of deep level defects on carrier lifetime in CdZnTe:In

    SciTech Connect (OSTI)

    Guo, Rongrong; Jie, Wanqi Wang, Ning; Zha, Gangqiang; Xu, Yadong; Wang, Tao; Fu, Xu

    2015-03-07

    The defect levels and carrier lifetime in CdZnTe:In crystal were characterized with photoluminescence, thermally stimulated current measurements, as well as contactless microwave photoconductivity decay (MWPCD) technique. An evaluation equation to extract the recombination lifetime and the reemission time from MWPCD signal is developed based on Hornbeck-Haynes trapping model. An excellent agreement between defect level distribution and carrier reemission time in MWPCD signal reveals the tail of the photoconductivity decay is controlled by the defect level reemission effect. Combining {sup 241}Am gamma ray radiation response measurement and laser beam induced transient current measurement, it predicted that defect level with the reemission time shorter than the collection time could lead to better charge collection efficiency of CdZnTe detector.

  6. Spin and photophysics of carbon-antisite vacancy defect in

    Office of Scientific and Technical Information (OSTI)

    Spin and photophysics of carbon-antisite vacancy defect in 4 H silicon carbide: A potential quantum bit Not Available Temp HTML ...

  7. Tuning thermal conductivity in homoepitaxial SrTiO{sub 3} films via defects

    SciTech Connect (OSTI)

    Brooks, Charles M.; Wilson, Richard B.; Cahill, David G.; Schäfer, Anna; Schubert, Jürgen; Mundy, Julia A.; Holtz, Megan E.; Muller, David A.; Schlom, Darrell G.

    2015-08-03

    We demonstrate the ability to tune the thermal conductivity of homoepitaxial SrTiO{sub 3} films deposited by reactive molecular-beam epitaxy by varying growth temperature, oxidation environment, and cation stoichiometry. Both point defects and planar defects decrease the longitudinal thermal conductivity (k{sub 33}), with the greatest decrease in films of the same composition observed for films containing planar defects oriented perpendicular to the direction of heat flow. The longitudinal thermal conductivity can be modified by as much as 80%—from 11.5 W m{sup −1}K{sup −1} for stoichiometric homoepitaxial SrTiO{sub 3} to 2 W m{sup −1}K{sup −1} for strontium-rich homoepitaxial Sr{sub 1+δ}TiO{sub x} films—by incorporating (SrO){sub 2} Ruddlesden-Popper planar defects.

  8. Defect-Band Emission Photoluminescence Imaging on Multi-Crystalline Si Solar Cells: Preprint

    SciTech Connect (OSTI)

    Yan, F.; Johnston, S.; Zaunbrecher, K.; Al-Jassim, M.; Sidelkheir, O.; Blosse, A.

    2011-07-01

    Defect-band photoluminescence (PL) imaging with an InGaAs camera was applied to multicrystalline silicon (mc-Si) wafers, which were taken from different heights of different Si bricks. Neighboring wafers were picked at six different processing steps, from as-cut to post-metallization. By using different cut-off filters, we were able to separate the band-to-band emission images from the defect-band emission images. On the defect-band emission images, the bright regions that originate from the grain boundaries and defect clusters were extracted from the PL images. The area fraction percentage of these regions at various processing stages shows a correlation with the final cell electrical parameters.

  9. Classification of Lattice Defects in the Kesterite Cu2ZnSnS4...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Classification of Lattice Defects in the Kesterite Cu2ZnSnS4 and Cu2ZnSnSe4 Earth-Abundant Solar Cell Absorbers Citation Details In-Document Search Title: ...

  10. Defect structure of indium tin oxide and its relationship to conductivity

    SciTech Connect (OSTI)

    Gonzalez, G. B.; Cohen, J. B.; Hwang, J.-H.; Mason, T. O.; Hodges, J. P.; Jorgensen, J. D.

    2000-05-09

    Doping In{sub 2}O{sub 3} with tin results in an improved transparent conducting oxide (TCO). Although indium tin oxide (ITO) is the most frequently used commercial TCO, its defect structure is still uncertain. Previously, its defect chemistry has been inferred based on the conductivity of the material. To directly study the defect structure of ITO, the authors prepared powders under different processing environments and performed neutron powder diffraction. Structural information was obtained by performing Rietveld analysis. The results include positions of the atoms, their thermal displacements, the fractional occupancy of the defect oxygen site, and the fractional occupancies of Sn on each of the two nonequivalent cation sites, showing a strong preference for the b site. These structural results are correlated with the measured electrical properties of the same samples.

  11. Proceedings of the TMS symposium on radiation facilities and defect studies

    SciTech Connect (OSTI)

    Snead, C.L. Jr.

    1992-11-01

    Intent of the symposium is to highlight the various means of producing and characterizing irradition-induced defects in materials of interest in nuclear applications. Viewgraphs are presented for 18 papers. Separate abstracts were prepared for the data base.

  12. Proceedings of the TMS symposium on radiation facilities and defect studies

    SciTech Connect (OSTI)

    Snead, C.L. Jr.

    1992-01-01

    Intent of the symposium is to highlight the various means of producing and characterizing irradition-induced defects in materials of interest in nuclear applications. Viewgraphs are presented for 18 papers. Separate abstracts were prepared for the data base.

  13. Defect-induced magnetism in cobalt-doped ZnO epilayers

    SciTech Connect (OSTI)

    Ciatto, G.; Fonda, E.; Trolio, A. Di; Alippi, P.; Varvaro, G.; Bonapasta, A. Amore; Polimeni, A.; Capizzi, M.

    2014-02-21

    We used a synergic Co-edge X-ray absorption spectroscopy (XAS) and density functional theory calculations approach to perform a study of defects which could account for the room temperature ferromagnetism of ZnCoO, an oxide of great potential interest in semiconductor spintronics. Our results suggest that a key role is played by specific defect complexes in which O vacancies are located close to the Co atoms. Extended defects such as Co clusters have a marginal function, although we observe their formation at the epilayer surface under certain growth conditions. We also show preliminary results of the study of hydrogen-induced defects in ZnCoO epilayers deliberately hydrogen irradiated via a Kaufman source. Hydrogen was in fact predicted to mediate a ferromagnetic spin-spin interaction between neighboring magnetic impurities.

  14. An atomistic vision of the Mass Action Law: Prediction of carbon/oxygen defects in silicon

    SciTech Connect (OSTI)

    Brenet, G.; Timerkaeva, D.; Caliste, D.; Pochet, P.; Sgourou, E. N.; Londos, C. A.

    2015-09-28

    We introduce an atomistic description of the kinetic Mass Action Law to predict concentrations of defects and complexes. We demonstrate in this paper that this approach accurately predicts carbon/oxygen related defect concentrations in silicon upon annealing. The model requires binding and migration energies of the impurities and complexes, here obtained from density functional theory (DFT) calculations. Vacancy-oxygen complex kinetics are studied as a model system during both isochronal and isothermal annealing. Results are in good agreement with experimental data, confirming the success of the methodology. More importantly, it gives access to the sequence of chain reactions by which oxygen and carbon related complexes are created in silicon. Beside the case of silicon, the understanding of such intricate reactions is a key to develop point defect engineering strategies to control defects and thus semiconductors properties.

  15. Effect of defects on long-pulse laser-induced damage of two kinds of optical thin films

    SciTech Connect (OSTI)

    Wang Bin; Qin Yuan; Ni Xiaowu; Shen Zhonghua; Lu Jian

    2010-10-10

    In order to study the effect of defects on the laser-induced damage of different optical thin films, we carried out damage experiments on two kinds of thin films with a 1ms long-pulse laser. Surface-defect and subsurface-defect damage models were used to explain the damage morphology. The two-dimensional finite element method was applied to calculate the temperature and thermal-stress fields of these two films. The results show that damages of the two films are due to surface and subsurface defects, respectively. Furthermore, the different dominant defects for thin films of different structures are discussed.

  16. Microstructure and defects probed by Raman spectroscopy in lithium niobate crystals and devices

    SciTech Connect (OSTI)

    Fontana, Marc D.; Bourson, Patrice

    2015-12-15

    Raman microprobe applied on LiNbO{sub 3} (LN) crystals and derived materials or devices is shown to be a tool to detect either local variations or changes of the whole structure. Position, width, or intensity of one Raman line can be used as markers of a structural change. Indeed, each Raman line can be assigned to a peculiar ionic motion and is differently sensitive to application of strain, temperature change, and electric field. Some vibrational modes are especially associated to the site of Li ion, or Nb ion, or still oxygen octahedron, so that they can be affected by the introduction of dopant ion on one or another site. Therefore, Raman Spectroscopy (RS) can be used as a site spectroscopy to describe the mechanism of doping incorporation in the LN lattice, allowing the optimization of some linear and non-linear optical properties according to the dopant concentration and substitution site. The composition or the content of non-stoichiometry related defects could be derived from the width of some lines. Any damage or local disorder can be detected by a line broadening. The quality or preservation of the structure after chemical treatment, or laser pulses, can be thus checked. The structure of ion-implanted or proton-exchanged wave-guides and periodically poled lithium niobate as well can be imaged from frequency shift or intensity change of some lines. RS is thus a useful way to control the structure of LN and/or to optimize the preparation parameters and its properties.

  17. Defects Lead to Order | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    Defects Lead to Order Basic Energy Sciences (BES) BES Home About Research Facilities Science Highlights Benefits of BES Funding Opportunities Basic Energy Sciences Advisory Committee (BESAC) Community Resources Contact Information Basic Energy Sciences U.S. Department of Energy SC-22/Germantown Building 1000 Independence Ave., SW Washington, DC 20585 P: (301) 903-3081 F: (301) 903-6594 E: Email Us More Information » 12.14.15 Defects Lead to Order Surprising order found in bundles of protein

  18. HYDRAULIC SERVO CONTROL MECHANISM

    DOE Patents [OSTI]

    Hussey, R.B.; Gottsche, M.J. Jr.

    1963-09-17

    A hydraulic servo control mechanism of compact construction and low fluid requirements is described. The mechanism consists of a main hydraulic piston, comprising the drive output, which is connected mechanically for feedback purposes to a servo control piston. A control sleeve having control slots for the system encloses the servo piston, which acts to cover or uncover the slots as a means of controlling the operation of the system. This operation permits only a small amount of fluid to regulate the operation of the mechanism, which, as a result, is compact and relatively light. This mechanism is particuiarly adaptable to the drive and control of control rods in nuclear reactors. (auth)

  19. Dynamic annealing of defects in irradiated zirconia-based ceramics

    SciTech Connect (OSTI)

    Devanathan, Ram; Weber, William J.

    2008-03-06

    We have observed self-healing behavior in large scale molecular dynamics simulations of 30 keV Zr recoils in pure zirconia and 10 mole % yttria-stabilized zirconia. Our results reveal that dynamic annealing is highly effective during the first 5 ps of damage evolution, especially in the presence of oxygen structural vacancies introduced by aliovalent doping (Y3+ substitution for Zr4+). The presence of mobile oxygen vacancies results in near complete recovery of damage. Damage recovery on the cation sublattice is assisted by the anion sublattice recovery, which explains the remarkable radiation tolerance of stabilized zirconia. Ceramics engineered to heal themselves in this fashion hold great promise for use in high-radiation environments or for safely encapsulating high-level radioactive waste over geological time scales.

  20. Introducing thermally stable inter-tube defects to assist off-axial phonon transport in carbon nanotube films

    SciTech Connect (OSTI)

    Wang, Jing; Chen, Di; Wallace, Joseph; Gigax, Jonathan; Wang, Xuemei; Shao, Lin

    2014-05-12

    Through integrated molecular dynamics (MD) simulations and experimental studies, we demonstrated the feasibility of an ion-irradiation-and-annealing based phonon engineering technique to enhance thermal conductivity of carbon nanotube (CNT) films. Upon ion irradiation of CNT films, both inter-tube defects and intra-tube defects are introduced. Our MD simulations show that inter-tube defects created between neighboring tubes are much more stable than intra-tube defects created on tube graphitic planes. Upon thermal annealing, intra-tube defects are preferentially removed but inter-tube defects stay. Consequently, axial phonon transport increases due to reduced phonon scattering and off-axial phonon transport is sustained due to the high stability of inter-tube defects, leading to a conductivity enhancement upon annealing. The modeling predictions agree with experimental observations that thermal conductivities of CNT films were enhanced after 2 MeV hydrogen ion irradiations and conductivities were further enhanced upon post irradiation annealing.

    1. Collapse Mechanisms Of Masonry Structures

      SciTech Connect (OSTI)

      Zuccaro, G.; Rauci, M.

      2008-07-08

      The paper outlines a possible approach to typology recognition, safety check analyses and/or damage measuring taking advantage by a multimedia tool (MEDEA), tracing a guided procedure useful for seismic safety check evaluation and post event macroseismic assessment. A list of the possible collapse mechanisms observed in the post event surveys on masonry structures and a complete abacus of the damages are provided in MEDEA. In this tool a possible combination between a set of damage typologies and each collapse mechanism is supplied in order to improve the homogeneity of the damages interpretation. On the other hand recent researches of one of the author have selected a number of possible typological vulnerability factors of masonry buildings, these are listed in the paper and combined with potential collapse mechanisms to be activated under seismic excitation. The procedure takes place from simple structural behavior models, derived from the Umbria-Marche earthquake observations, and tested after the San Giuliano di Puglia event; it provides the basis either for safety check analyses of the existing buildings or for post-event structural safety assessment and economic damage evaluation. In the paper taking advantage of MEDEA mechanisms analysis, mainly developed for the post event safety check surveyors training, a simple logic path is traced in order to approach the evaluation of the masonry building safety check. The procedure starts from the identification of the typological vulnerability factors to derive the potential collapse mechanisms and their collapse multipliers and finally addresses the simplest and cheapest strengthening techniques to reduce the original vulnerability. The procedure has been introduced in the Guide Lines of the Regione Campania for the professionals in charge of the safety check analyses and the buildings strengthening in application of the national mitigation campaign introduced by the Ordinance of the Central Government n. 3362

    2. Mechanical seal assembly

      DOE Patents [OSTI]

      Kotlyar, Oleg M.

      2001-01-01

      An improved mechanical seal assembly is provided for sealing rotating shafts with respect to their shaft housings, wherein the rotating shafts are subject to substantial axial vibrations. The mechanical seal assembly generally includes a rotating sealing ring fixed to the shaft, a non-rotating sealing ring adjacent to and in close contact with the rotating sealing ring for forming an annular seal about the shaft, and a mechanical diode element that applies a biasing force to the non-rotating sealing ring by means of hemispherical joint. The alignment of the mechanical diode with respect to the sealing rings is maintained by a series of linear bearings positioned axially along a desired length of the mechanical diode. Alternative embodiments include mechanical or hydraulic amplification components for amplifying axial displacement of the non-rotating sealing ring and transferring it to the mechanical diode.

    3. Mechanical seal assembly

      DOE Patents [OSTI]

      Kotlyar, Oleg M.

      2002-01-01

      An improved mechanical seal assembly is provided for sealing rotating shafts with respect to their shaft housings, wherein the rotating shafts are subject to substantial axial vibrations. The mechanical seal assembly generally includes a rotating sealing ring fixed to the shaft, a non-rotating sealing ring adjacent to and in close contact with the rotating sealing ring for forming an annular seal about the shaft, and a mechanical diode element that applies a biasing force to the non-rotating sealing ring by means of hemispherical joint. The alignment of the mechanical diode with respect to the sealing rings is maintained by a series of linear bearings positioned axially along a desired length of the mechanical diode. Alternative embodiments include mechanical or hydraulic amplification components for amplifying axial displacement of the non-rotating sealing ring and transfering it to the mechanical diode.

    4. New Research on Jamming Behavior Expands Understanding

      Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

      Behavior Expands Understanding Print One of the most satisfying aspects of condensed matter physics is that a variety of condensed matter systems show universal behavior-behavior...

    5. Heat treatment effect on the mechanical properties of industrial drawn copper wires

      SciTech Connect (OSTI)

      Beribeche, Abdellatif Boumerzoug, Zakaria; Ji, Vincent

      2013-12-16

      In this present investigation, the mechanical properties of industrial drawn copper wires have been studied by tensile tests. The effect of prior heat treatments at 500°C on the drawn wires behavior was the main goal of this investigation. We have found that the mechanical behavior of drawn wires depends strongly on those treatments. SEM observations of the wire cross section after tensile tests have shown that the mechanism of rupture was mainly controlled by the void formation.

    6. Acceleration of dormant storage effects to address the reliability of silicon surface micromachined Micro-Electro-Mechanical Systems (MEMS).

      SciTech Connect (OSTI)

      Cox, James V.; Candelaria, Sam A.; Dugger, Michael Thomas; Duesterhaus, Michelle Ann; Tanner, Danelle Mary; Timpe, Shannon J.; Ohlhausen, James Anthony; Skousen, Troy J.; Jenkins, Mark W.; Jokiel, Bernhard, Jr.; Walraven, Jeremy Allen; Parson, Ted Blair

      2006-06-01

      Qualification of microsystems for weapon applications is critically dependent on our ability to build confidence in their performance, by predicting the evolution of their behavior over time in the stockpile. The objective of this work was to accelerate aging mechanisms operative in surface micromachined silicon microelectromechanical systems (MEMS) with contacting surfaces that are stored for many years prior to use, to determine the effects of aging on reliability, and relate those effects to changes in the behavior of interfaces. Hence the main focus was on 'dormant' storage effects on the reliability of devices having mechanical contacts, the first time they must move. A large number ({approx}1000) of modules containing prototype devices and diagnostic structures were packaged using the best available processes for simple electromechanical devices. The packaging processes evolved during the project to better protect surfaces from exposure to contaminants and water vapor. Packages were subjected to accelerated aging and stress tests to explore dormancy and operational environment effects on reliability and performance. Functional tests and quantitative measurements of adhesion and friction demonstrated that the main failure mechanism during dormant storage is change in adhesion and friction, precipitated by loss of the fluorinated monolayer applied after fabrication. The data indicate that damage to the monolayer can occur at water vapor concentrations as low as 500 ppm inside the package. The most common type of failure was attributed to surfaces that were in direct contact during aging. The application of quantitative methods for monolayer lubricant analysis showed that even though the coverage of vapor-deposited monolayers is generally very uniform, even on hidden surfaces, locations of intimate contact can be significantly depleted in initial concentration of lubricating molecules. These areas represent defects in the film prone to adsorption of water or

    7. Defect Structure of Epitaxial CrxV1 − x Thin Films on MgO(001)

      SciTech Connect (OSTI)

      Kaspar, Tiffany C.; Bowden, Mark E.; Wang, Chong M.; Shutthanandan, V.; Manandhar, Sandeep; Van Ginhoven, Renee M.; Wirth, Brian D.; Kurtz, Richard J.

      2014-01-01

      Epitaxial thin films of CrxV1-x over the entire composition range were deposited on MgO(001) by molecular beam epitaxy. The films exhibited the expected 45° in-plane rotation with no evidence of phase segregation or spinodal decomposition. Pure Cr, with the largest lattice mismatch to MgO, exhibited full relaxation and cubic lattice parameters. As the lattice mismatch decreased with alloy composition, residual epitaxial strain was observed. For 0.2 ≤ x ≤ 0.4 the films were coherently strained to the substrate with associated tetragonal distortion; near the lattice-matched composition of x = 0.33, the films exhibited strain-free pseudomorphic matching to MgO. Unusually, films on the Cr-rich side of the lattice-matched composition exhibited more in-plane compression than expected from the bulk lattice parameters; this result was confirmed with both x-ray diffraction and Rutherford backscattering spectrometry channeling measurements. Although thermal expansion mismatch in the heterostructure may play a role, the dominant mechanism for this phenomenon is still unknown. High resolution transmission electron microscopy was utilized to characterize the misfit dislocation network present at the film/MgO interface. Dislocations were found to be present with a non-uniform distribution, which is attributed to the Volmer-Weber growth mode of the films. The CrxV1-x / MgO(001) system can serve as a model system to study both the fundamentals of defect formation in bcc films and the interplay between nanoscale defects such as dislocations and radiation damage.

    8. Computational Structural Mechanics

      Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

      load-2 TRACC RESEARCH Computational Fluid Dynamics Computational Structural Mechanics Transportation Systems Modeling Computational Structural Mechanics Overview of CSM Computational structural mechanics is a well-established methodology for the design and analysis of many components and structures found in the transportation field. Modern finite-element models (FEMs) play a major role in these evaluations, and sophisticated software, such as the commercially available LS-DYNA® code, is

    9. An opinion-driven behavioral dynamics model for addictive behaviors

      DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

      Moore, Thomas W.; Finley, Patrick D.; Apelberg, Benjamin J.; Ambrose, Bridget K.; Brodsky, Nancy S.; Brown, Theresa J.; Husten, Corinne; Glass, Robert J.

      2015-04-08

      We present a model of behavioral dynamics that combines a social network-based opinion dynamics model with behavioral mapping. The behavioral component is discrete and history-dependent to represent situations in which an individual’s behavior is initially driven by opinion and later constrained by physiological or psychological conditions that serve to maintain the behavior. Additionally, individuals are modeled as nodes in a social network connected by directed edges. Parameter sweeps illustrate model behavior and the effects of individual parameters and parameter interactions on model results. Mapping a continuous opinion variable into a discrete behavioral space induces clustering on directed networks. Clusters providemore » targets of opportunity for influencing the network state; however, the smaller the network the greater the stochasticity and potential variability in outcomes. Furthermore, this has implications both for behaviors that are influenced by close relationships verses those influenced by societal norms and for the effectiveness of strategies for influencing those behaviors.« less

    10. Determination of Mechanical Properties

      Office of Scientific and Technical Information (OSTI)

      ... Monofilament Laminates," paper 61-AV56 presented at American Society of Mechanical Engineers Aviation Conference, Los Angeles, California (March 1961). 21. G. S. Springer and s. ...

    11. Monroe Thomas, Mechanical Technician

      Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

      and endstation moves. Though he's training another mechanical technician to operate the crane, it's Monroe who is called upon for critical moves. He plays a key role in...

    12. Heavy Mobile Equipment Mechanic

      Broader source: Energy.gov [DOE]

      Join the Bonneville Power Administration (BPA) for a challenging and rewarding career, while working, living, and playing in the Pacific Northwest. The Heavy Mobile Equipment Mechanic (HMEM)...

    13. Nanoscale microstructure effects on hydrogen behavior in rapidly solidified aluminum alloys

      SciTech Connect (OSTI)

      Tashlykova-Bushkevich, Iya I.

      2015-12-31

      The present work summarizes recent progress in the investigation of nanoscale microstructure effects on hydrogen behavior in rapidly solidified aluminum alloys foils produced at exceptionally high cooling rates. We focus here on the potential of modification of hydrogen desorption kinetics in respect to weak and strong trapping sites that could serve as hydrogen sinks in Al materials. It is shown that it is important to elucidate the surface microstructure of the Al alloy foils at the submicrometer scale because rapidly solidified microstructural features affect hydrogen trapping at nanostructured defects. We discuss the profound influence of solute atoms on hydrogen−lattice defect interactions in the alloys. with emphasis on role of vacancies in hydrogen evolution; both rapidly solidified pure Al and conventionally processed aluminum samples are considered.

    14. The mechanical properties of FeAl

      SciTech Connect (OSTI)

      Baker, I.; George, E.P.

      1996-12-31

      Only in the last few years has progress been made in obtaining reproducible mechanical properties data for FeAl. Two sets of observations are the foundation of this progress. The first is that the large vacancy concentrations that exist in FeAl at high temperature are easily retained at low temperature and that these strongly affect the low-temperature mechanical properties. The second is that RT ductility is adversely affected by water vapor. Purpose of this paper is not to present a comprehensive overview of the mechanical properties of FeAl but rather to highlight our understanding of key phenomena and to show how an understanding of the factors which control the yield strength and fracture behavior has followed the discovery of the above two effects. 87 refs, 9 figs.

    15. Incorporating Behavior Change Efforts Into Energy Efficiency...

      Energy Savers [EERE]

      Behavior Change Efforts Into Energy Efficiency Programs Incorporating Behavior Change Efforts Into Energy Efficiency Programs Better Buildings Residential Network Program ...

    16. SEACAS Theory Manuals: Part II. Nonlinear Continuum Mechanics

      SciTech Connect (OSTI)

      Attaway, S.W.; Laursen, T.A.; Zadoks, R.I.

      1998-09-01

      This report summarizes the key continuum mechanics concepts required for the systematic prescription and numerical solution of finite deformation solid mechanics problems. Topics surveyed include measures of deformation appropriate for media undergoing large deformations, stress measures appropriate for such problems, balance laws and their role in nonlinear continuum mechanics, the role of frame indifference in description of large deformation response, and the extension of these theories to encompass two dimensional idealizations, structural idealizations, and rigid body behavior. There are three companion reports that describe the problem formulation, constitutive modeling, and finite element technology for nonlinear continuum mechanics systems.

    17. Synchronous behavior of two coupled electronic neurons

      SciTech Connect (OSTI)

      Pinto, R. D.; Varona, P.; GNB, Departamento Ingenieria Informatica, Universidad Autonoma de Madrid, 28049 Madrid, ; Volkovskii, A. R.; Szuecs, A.; Abarbanel, Henry D. I.; Department of Physics and Marine Physical Laboratory, Scripps Institution of Oceanography, University of California, San Diego, La Jolla, California 92093-0402 ; Rabinovich, M. I.

      2000-08-01

      We report on experimental studies of synchronization phenomena in a pair of analog electronic neurons (ENs). The ENs were designed to reproduce the observed membrane voltage oscillations of isolated biological neurons from the stomatogastric ganglion of the California spiny lobster Panulirus interruptus. The ENs are simple analog circuits which integrate four-dimensional differential equations representing fast and slow subcellular mechanisms that produce the characteristic regular/chaotic spiking-bursting behavior of these cells. In this paper we study their dynamical behavior as we couple them in the same configurations as we have done for their counterpart biological neurons. The interconnections we use for these neural oscillators are both direct electrical connections and excitatory and inhibitory chemical connections: each realized by analog circuitry and suggested by biological examples. We provide here quantitative evidence that the ENs and the biological neurons behave similarly when coupled in the same manner. They each display well defined bifurcations in their mutual synchronization and regularization. We report briefly on an experiment on coupled biological neurons and four-dimensional ENs, which provides further ground for testing the validity of our numerical and electronic models of individual neural behavior. Our experiments as a whole present interesting new examples of regularization and synchronization in coupled nonlinear oscillators. (c) 2000 The American Physical Society.

    18. Defect Chemistry and Plasmon Physics of Colloidal Metal Oxide Nanocrystals

      SciTech Connect (OSTI)

      Lounis, SD; Runnerstrorm, EL; Llordes, A; Milliron, DJ

      2014-05-01

      Plasmonic nanocrystals of highly doped metal oxides have seen rapid development in the past decade and represent a class of materials with unique optoelectronic properties. In this Perspective, we discuss doping mechanisms in metal oxides and the accompanying physics of free carrier scattering, both of which have implications in determining the properties of localized surface plasmon resonances (LSPRs) in these nanocrystals. The balance between activation and compensation of dopants limits the free carrier concentration of the most common metal oxides, placing a ceiling on the LSPR frequency. Furthermore, because of ionized impurity scattering of the oscillating plasma by dopant ions, scattering must be treated in a fundamentally different way in semiconductor metal oxide materials when compared with conventional metals. Though these effects are well-understood in bulk metal oxides, further study is needed to understand their manifestation in nanocrystals and corresponding impact on plasmonic properties, and to develop materials that surpass current limitations in free carrier concentration.

    19. Characterization of shape memory alloys for safety mechanisms.

      SciTech Connect (OSTI)

      McLaughlin, Jarred T.; Buchheit, Thomas Edward; Massad, Jordan Elias

      2008-03-01

      Shape memory alloys (SMAs) are metals that exhibit large recoverable strains and exert large forces with tremendous energy densities. The behavior of SMAs is thermomechanically coupled. Their response to temperature is sensitive to their loading condition and their response to loading is sensitive to their thermal condition. This coupled behavior is not to be circumvented, but to be confronted and understood, since it is what manifests SMA's superior clamping performance. To reasonably characterize the coupled behavior of SMA clamping rings used in safety mechanisms, we conduct a series of experiments on SMA samples. The results of the tests will allow increased fidelity in modeling and failure analysis of parts.

    20. Mechanical Properties of Aerogels. Final Report

      SciTech Connect (OSTI)

      Parmenter, K.E.; Milstein, F.

      1995-01-01

      Aerogels are extremely low density solids that are characterized by a high porosity and pore sizes on the order of nanometers. Their low thermal conductivity and sometimes transparent appearance make them desirable for applications such as insulation in cryogenic vessels and between double paned glass in solar architecture. An understanding of the mechanical properties of aerogels is necessary before aerogels can be used in load bearing applications. In the present study, the mechanical behavior of various types of fiber-reinforced silica aerogels was investigated with hardness, compression, tension and shear tests. Particular attention was paid to the effects of processing parameters, testing conditions, storage environment, and age on the aerogels` mechanical response. The results indicate that the addition of fibers to the aerogel matrix generally resulted in softer, weaker materials with smaller elastic moduli. Furthermore, the testing environment significantly affected compression results. Tests in ethanol show an appreciable amount of scatter, and are not consistent with results for tests in air. In fact, the compression specimens appeared to crack and begin to dissolve upon exposure to the ethanol solution. This is consistent with the inherent hydrophobic nature of these aerogels. In addition, the aging process affected the aerogels` mechanical behavior by increasing their compressive strength and elastic moduli while decreasing their strain at fracture. However, desiccation of the specimens did not appreciably affect the mechanical properties, even though it reduced the aerogel density by removing trapped moisture. Finally, tension and shear test results indicate that the shear strength of the aerogels exceeds the tensile strength. This is consistent with the response of brittle materials. Future work should concentrate on mechanical testing at cryogenic temperatures, and should involve more extensive tensile tests.

    1. Micro-Raman study on the softening and stiffening of phonons in rutile titanium dioxide film: Competing effects of structural defects, crystallite size, and lattice strain

      SciTech Connect (OSTI)

      Gautam, Subodh K.; Singh, Fouran Sulania, I.; Kulriya, P. K.; Singh, R. G.; Pippel, E.

      2014-04-14

      Softening and stiffening of phonons in rutile titanium dioxide films are investigated by in situ micro-Raman studies during energetic ion irradiation. The in situ study minimized other possible mechanisms of phonon dynamics. Initial softening and broadening of Raman shift are attributed to the phonon confinement by structural defects and loss of stoichiometry. The stiffening of A{sub 1g} mode is ascribed to large distortion of TiO{sub 6} octahedra under the influence of lattice strain in the (110) plane, which gives rise to lengthening of equatorial Ti-O bond and shortening of apical Ti-O bond. The shortening of apical Ti-O bond induces stiffening of A{sub 1g} mode in the framework of the bond-order-length-strength correlation mechanism.

    2. Effects of local defect growth in direct-drive cryogenic implosions on OMEGA

      SciTech Connect (OSTI)

      Igumenshchev, I. V.; Shmayda, W. T.; Harding, D. R.; Sangster, T. C.; Goncharov, V. N.; Department of Mechanical Engineering, University of Rochester, Rochester, New York 14623 ; Meyerhofer, D. D.; Department of Mechanical Engineering, University of Rochester, Rochester, New York 14623; Department of Physics and Astronomy, University of Rochester, Rochester, New York 14623

      2013-08-15

      Spherically symmetric, low-adiabat (adiabat ? ? 3) cryogenic direct-drive-implosion experiments on the OMEGA laser [T. R. Boehly et al., Opt. Commun. 133, 495 (1995)] yield less than 10% of the neutrons predicted in one-dimensional hydrodynamic simulations. Two-dimensional hydrodynamic simulations suggest that this performance degradation can be explained assuming perturbations from isolated defects of submicron to tens-of-micron scale on the outer surface or inside the shell of implosion targets. These defects develop during the cryogenic filling process and typically number from several tens up to hundreds for each target covering from about 0.2% to 1% of its surface. The simulations predict that such defects can significantly perturb the implosion and result in the injection of about 1 to 2 ?g of the hot ablator (carbon-deuterium) and fuel (deuterium-tritium) materials from the ablation surface into the targets. Both the hot mass injection and perturbations of the shell reduce the final shell convergence ratio and implosion performance. The injected carbon ions radiatively cool the hot spot, reducing the fuel temperature, and further reducing the neutron yield. The negative effect of local defects can be minimized by decreasing the number and size of these defects and/or using more hydrodynamically stable implosion designs with higher shell adiabat.

    3. Design of defect spins in piezoelectric aluminum nitride for solid-state hybrid quantum technologies

      DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

      Seo, Hosung; Govoni, Marco; Galli, Giulia

      2016-02-15

      Spin defects in wide-band gap semiconductors are promising systems for the realization of quantum bits, or qubits, in solid-state environments. To date, defect qubits have only been realized in materials with strong covalent bonds. Here, we introduce a strain-driven scheme to rationally design defect spins in functional ionic crystals, which may operate as potential qubits. In particular, using a combination of state-of-the-art ab-initio calculations based on hybrid density functional and many-body perturbation theory, we predicted that the negatively charged nitrogen vacancy center in piezoelectric aluminum nitride exhibits spin-triplet ground states under realistic uni- and bi-axial strain conditions; such states maymore » be harnessed for the realization of qubits. As a result, the strain-driven strategy adopted here can be readily extended to a wide range of point defects in other wide-band gap semiconductors, paving the way to controlling the spin properties of defects in ionic systems for potential spintronic technologies.« less

    4. Printability and inspectability of programmed pit defects on teh masks in EUV lithography

      SciTech Connect (OSTI)

      Kang, I.-Y.; Seo, H.-S.; Ahn, B.-S.; Lee, D.-G.; Kim, D.; Huh, S.; Koh, C.-W.; Cha, B.; Kim, S.-S.; Cho, H.-K.; Mochi, I.; Goldberg, K. A.

      2010-03-12

      Printability and inspectability of phase defects in ELlVL mask originated from substrate pit were investigated. For this purpose, PDMs with programmed pits on substrate were fabricated using different ML sources from several suppliers. Simulations with 32-nm HP L/S show that substrate pits with below {approx}20 nm in depth would not be printed on the wafer if they could be smoothed by ML process down to {approx}1 nm in depth on ML surface. Through the investigation of inspectability for programmed pits, minimum pit sizes detected by KLA6xx, AIT, and M7360 depend on ML smoothing performance. Furthermore, printability results for pit defects also correlate with smoothed pit sizes. AIT results for pattemed mask with 32-nm HP L/S represents that minimum printable size of pits could be {approx}28.3 nm of SEVD. In addition, printability of pits became more printable as defocus moves to (-) directions. Consequently, printability of phase defects strongly depends on their locations with respect to those of absorber patterns. This indicates that defect compensation by pattern shift could be a key technique to realize zero printable phase defects in EUVL masks.

    5. Automated real-time detection of defects during machining of ceramics

      DOE Patents [OSTI]

      Ellingson, W.A.; Sun, J.

      1997-11-18

      Apparatus for the automated real-time detection and classification of defects during the machining of ceramic components employs an elastic optical scattering technique using polarized laser light. A ceramic specimen is continuously moved while being machined. Polarized laser light is directed onto the ceramic specimen surface at a fixed position just aft of the machining tool for examination of the newly machined surface. Any foreign material near the location of the laser light on the ceramic specimen is cleared by an air blast. As the specimen is moved, its surface is continuously scanned by the polarized laser light beam to provide a two-dimensional image presented in real-time on a video display unit, with the motion of the ceramic specimen synchronized with the data acquisition speed. By storing known ``feature masks`` representing various surface and sub-surface defects and comparing measured defects with the stored feature masks, detected defects may be automatically characterized. Using multiple detectors, various types of defects may be detected and classified. 14 figs.

    6. Automated real-time detection of defects during machining of ceramics

      DOE Patents [OSTI]

      Ellingson, William A.; Sun, Jiangang

      1997-01-01

      Apparatus for the automated real-time detection and classification of defects during the machining of ceramic components employs an elastic optical scattering technique using polarized laser light. A ceramic specimen is continuously moved while being machined. Polarized laser light is directed onto the ceramic specimen surface at a fixed position just aft of the machining tool for examination of the newly machined surface. Any foreign material near the location of the laser light on the ceramic specimen is cleared by an air blast. As the specimen is moved, its surface is continuously scanned by the polarized laser light beam to provide a two-dimensional image presented in real-time on a video display unit, with the motion of the ceramic specimen synchronized with the data acquisition speed. By storing known "feature masks" representing various surface and sub-surface defects and comparing measured defects with the stored feature masks, detected defects may be automatically characterized. Using multiple detectors, various types of defects may be detected and classified.

    7. Designing a Micro-Mechanical Transistor

      SciTech Connect (OSTI)

      Mainieri, R.

      1999-06-03

      This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Micro-mechanical electronic systems are chips with moving parts. They are fabricated with the same techniques that are used to manufacture electronic chips, sharing their low cost. Micro-mechanical chips can also contain electronic components. By combining mechanical parts with electronic parts it becomes possible to process signal mechanically. To achieve designs comparable to those obtained with electronic components it is necessary to have a mechanical device that can change its behavior in response to a small input - a mechanical transistor. The work proposed will develop the design tools for these complex-shaped resonant structures using the geometrical ray technique. To overcome the limitations of geometrical ray chaos, the dynamics of the rays will be studied using the methods developed for the study of nonlinear dynamical systems. T his leads to numerical methods that execute well in parallel computer architectures, using a limited amount of memory and no inter-process communication.

    8. Polaron Behavior in CMR Manganites

      Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

      Polaron Behavior in CMR Manganites Print Wednesday, 26 January 2005 00:00 Spintronic ... of materials under study for future spintronic applications such as nonvolatile ...

    9. Behavior Based Energy Efficiency (BBEE)

      Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

      on encouraging the adoption of energy efficient technology. There is a substantial body of knowledge and experience associated with behavior change that is rooted in the...

    10. Mechanical code comparator

      DOE Patents [OSTI]

      Peter, Frank J.; Dalton, Larry J.; Plummer, David W.

      2002-01-01

      A new class of mechanical code comparators is described which have broad potential for application in safety, surety, and security applications. These devices can be implemented as micro-scale electromechanical systems that isolate a secure or otherwise controlled device until an access code is entered. This access code is converted into a series of mechanical inputs to the mechanical code comparator, which compares the access code to a pre-input combination, entered previously into the mechanical code comparator by an operator at the system security control point. These devices provide extremely high levels of robust security. Being totally mechanical in operation, an access control system properly based on such devices cannot be circumvented by software attack alone.

    11. Effect of thermo-mechanical treatment on mechanical and elastic...

      Office of Scientific and Technical Information (OSTI)

      Effect of thermo-mechanical treatment on mechanical and elastic properties of Ti-36Nb-5Zr alloy Title: Effect of thermo-mechanical treatment on mechanical and elastic properties of ...

    12. Damage mechanisms in PBT-GF30 under thermo-mechanical cyclic loading

      SciTech Connect (OSTI)

      Schaaf, A., E-mail: alexander.schaaf@de.bosch.com; De Monte, M., E-mail: alexander.schaaf@de.bosch.com; Hoffmann, C., E-mail: alexander.schaaf@de.bosch.com [Robert Bosch GmbH, Corporate Sector Research and Advance Engineering - Advance Production Technology 1 - Plastics Engineering (CR/APP), Postbox 1131, 71301 Waiblingen (Germany); Vormwald, M., E-mail: vormwald@wm.tu-darmstadt.de [Department of Material Science, Darmstadt University of Technology (Germany); Quaresimin, M., E-mail: marino.quaresimin@unipd.it [Department of Management and Engineering, University of Padova (Italy)

      2014-05-15

      The scope of this paper is the investigation of damage mechanisms at microscopic scale on a short glass fiber reinforced polybutylene terephthalate (PBT-GF30) under thermo-mechanical cyclic loading. In addition the principal mechanisms are verified through micro mechanical FE models. In order to investigate the fatigue behavior of the material both isothermal strain controlled fatigue (ISCF) tests at three different temperatures and thermo-mechanical fatigue (TMF) tests were conducted on plain and notched specimens, manufactured by injection molding. The goal of the work is to determine the damage mechanisms occurring under TMF conditions and to compare them with the mechanisms occurring under ISCF. For this reason fracture surfaces of TMF and ISCF samples loaded at different temperature levels were analyzed using scanning electron microscopy. Furthermore, specimens that failed under TMF were examined on microsections revealing insight into both crack initiation and crack propagation. The findings of this investigation give valuable information about the main damage mechanisms of PBT-GF30 under TMF loading and serve as basis for the development of a TMF life estimation methodology.

    13. Simulation of the signals of a pancake-type transducer caused by a plane defect of arbitrary form

      SciTech Connect (OSTI)

      Beda, P.I.; Putnikov, Yu.G.

      1994-10-01

      Redistribution of eddy currents caused by a defect is represented by a multitude of the fine circular contours located in that portion of the area of significant eddy currents associated with the defect. The current in the contours of the model {Delta}I{sub km} is expressed in terms of the primary current of each defect I{sub km} and the function of influence of the defect calculated with use of equivalent electrical circuits. The discretely distributed density of eddy currents is considered as an external current in the Helmholtz equation by solution of which an equation is obtained for the eddy current transducer voltage introduced by the defect. The method presented for calculation of eddy current transducer signals from a plane defect may be used in many cases for any type of pancake, solenoid, submersible, screen, and other transducers and for any form of object of inspection when the rule of spatial distribution of the eddy current density is known.

    14. Transmission Electron Microscope In Situ Straining Technique to Directly Observe Defects and Interfaces During Deformation in Magnesium

      DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

      Morrow, Benjamin M.; Cerreta, E. K.; McCabe, R. J.; Tomé, C. N.

      2015-05-14

      In-situ straining was used to study deformation behavior of hexagonal close-packed (hcp) metals.Twinning and dislocation motion, both essential to plasticity in hcp materials, were observed.Typically, these processes are characterized post-mortem by examining remnant microstructural features after straining has occurred. By imposing deformation during imaging, direct observation of active deformation mechanisms is possible. This work focuses on straining of structural metals in a transmission electron microscope (TEM), and a recently developed technique that utilizes familiar procedures and equipment to increase ease of experiments. In-situ straining in a TEM presents several advantages over conventional post-mortem characterization, most notably time-resolution of deformation andmore » streamlined identification of active deformation mechanisms. Drawbacks to the technique and applicability to other studies are also addressed. In-situ straining is used to study twin boundary motion in hcp magnesium. A {101¯2} twin was observed during tensile and compressive loading. Twin-dislocation interactions are directly observed. Notably, dislocations are observed to remain mobile, even after multiple interactions with twin boundaries, a result which suggests that Basinki’s dislocation transformation mechanism by twinning is not present in hcp metals. The coupling of in-situ straining with traditional post-mortem characterization yields more detailed information about material behavior during deformation than either technique alone.« less

    15. Transmission Electron Microscope In Situ Straining Technique to Directly Observe Defects and Interfaces During Deformation in Magnesium

      SciTech Connect (OSTI)

      Morrow, Benjamin M.; Cerreta, E. K.; McCabe, R. J.; Tom, C. N.

      2015-05-14

      In-situ straining was used to study deformation behavior of hexagonal close-packed (hcp) metals.Twinning and dislocation motion, both essential to plasticity in hcp materials, were observed.Typically, these processes are characterized post-mortem by examining remnant microstructural features after straining has occurred. By imposing deformation during imaging, direct observation of active deformation mechanisms is possible. This work focuses on straining of structural metals in a transmission electron microscope (TEM), and a recently developed technique that utilizes familiar procedures and equipment to increase ease of experiments. In-situ straining in a TEM presents several advantages over conventional post-mortem characterization, most notably time-resolution of deformation and streamlined identification of active deformation mechanisms. Drawbacks to the technique and applicability to other studies are also addressed. In-situ straining is used to study twin boundary motion in hcp magnesium. A {1012} twin was observed during tensile and compressive loading. Twin-dislocation interactions are directly observed. Notably, dislocations are observed to remain mobile, even after multiple interactions with twin boundaries, a result which suggests that Basinkis dislocation transformation mechanism by twinning is not present in hcp metals. The coupling of in-situ straining with traditional post-mortem characterization yields more detailed information about material behavior during deformation than either technique alone.

    16. Transmission Electron Microscope In Situ Straining Technique to Directly Observe Defects and Interfaces During Deformation in Magnesium

      SciTech Connect (OSTI)

      Morrow, Benjamin M.; Cerreta, E. K.; McCabe, R. J.; Tomé, C. N.

      2015-05-14

      In-situ straining was used to study deformation behavior of hexagonal close-packed (hcp) metals.Twinning and dislocation motion, both essential to plasticity in hcp materials, were observed.Typically, these processes are characterized post-mortem by examining remnant microstructural features after straining has occurred. By imposing deformation during imaging, direct observation of active deformation mechanisms is possible. This work focuses on straining of structural metals in a transmission electron microscope (TEM), and a recently developed technique that utilizes familiar procedures and equipment to increase ease of experiments. In-situ straining in a TEM presents several advantages over conventional post-mortem characterization, most notably time-resolution of deformation and streamlined identification of active deformation mechanisms. Drawbacks to the technique and applicability to other studies are also addressed. In-situ straining is used to study twin boundary motion in hcp magnesium. A {101¯2} twin was observed during tensile and compressive loading. Twin-dislocation interactions are directly observed. Notably, dislocations are observed to remain mobile, even after multiple interactions with twin boundaries, a result which suggests that Basinki’s dislocation transformation mechanism by twinning is not present in hcp metals. The coupling of in-situ straining with traditional post-mortem characterization yields more detailed information about material behavior during deformation than either technique alone.

    17. Effective defect diffusion lengths in Ar-ion bombarded 3C-SiC

      DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

      Bayu Aji, L. B.; Wallace, J. B.; Shao, L.; Kucheyev, S. O.

      2016-04-14

      Above room temperature, SiC exhibits pronounced processes of diffusion and interaction of radiation-generated point defects. Here, we use the recently developed pulsed ion beam method to measure effective defect diffusion lengths in 3C-SiC bombarded in the temperature range of 25–200 °C with 500 keV Ar ions. Results reveal a diffusion length of ~10 nm, which exhibits a weak temperature dependence, changing from 9 to 13 nm with increasing temperature. Lastly, these results have important implications for understanding and predicting radiation damage in SiC and for the development of radiation-resistant materials via interface-mediated defect reactions.

    18. A qualitative study of spin polarization effect in defect tuned Co/graphene/Co nanostructures

      SciTech Connect (OSTI)

      Mandal, Sumit E-mail: cnssks@iacs.res.in; Saha, Shyamal K. E-mail: cnssks@iacs.res.in

      2014-10-15

      Theoretical reports predict that in contact with a ferromagnetic giant spin, spin polarization evolves in defective graphene since defects in graphene act as local spin moments. We have synthesized different Co/graphene/Co nano spin valve like structures tuning the degree of defect applying ultrasonic vibration and characterized them by Raman spectroscopy. Initially with increasing I{sub D}/I{sub G} ratio in Raman spectra, antiferromagnetic coupling between the Co nanosheets on either sides of graphene enhances leading to betterment in spin transport through graphene. But for highest I{sub D}/I{sub G}, a totally new phenomenon called antiferro quadrupolar ordering (AFQ) takes place which eventually reduces the spin polarization effect.

    19. Repair of localized defects in multilayer-coated reticle blanks for extreme ultraviolet lithography

      DOE Patents [OSTI]

      Stearns, Daniel G.; Sweeney, Donald W.; Mirkarimi, Paul B.

      2004-11-23

      A method is provided for repairing defects in a multilayer coating layered onto a reticle blank used in an extreme ultraviolet lithography (EUVL) system. Using high lateral spatial resolution, energy is deposited in the multilayer coating in the vicinity of the defect. This can be accomplished using a focused electron beam, focused ion beam or a focused electromagnetic radiation. The absorbed energy will cause a structural modification of the film, producing a localized change in the film thickness. The change in film thickness can be controlled with sub-nanometer accuracy by adjusting the energy dose. The lateral spatial resolution of the thickness modification is controlled by the localization of the energy deposition. The film thickness is adjusted locally to correct the perturbation of the reflected field. For example, when the structural modification is a localized film contraction, the repair of a defect consists of flattening a mound or spreading out the sides of a depression.

    20. Direct Evidence of Phosphorus-Defect Complexes in n -Type Amorphous Silicon and Hydrogenated Amorphous Silicon

      SciTech Connect (OSTI)

      Petkov, M.P.; Weber, M.H.; Lynn, K.G.; Crandall, R.S.; Ghosh, V.J.

      1999-05-01

      We use positron annihilation spectroscopy (PAS) to identify the phosphorus-defect complex ({sup {asterisk}}D{sup {minus}}) in n -type hydrogenated amorphous Si (a -Si:H). The positrons are attracted and localized at the small open volume associated with the dangling bond defects. The radiation detected after annihilation gives a characteristic P signature, regarded as a {sup {asterisk}}D{sup {minus}} {open_quotes}fingerprint.{close_quotes} Additional evidence is obtained from a comparison to P-implanted amorphized Si, as well as from theoretical calculations. This work lays the foundation for PAS studies of impurity-defect related processes in a -Si:H. {copyright} {ital 1999} {ital The American Physical Society}