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, 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.

  14. 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.

  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. 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.

  1. 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.

  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 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

  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 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

  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. 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.

  19. 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.

  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

    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

  12. 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

  13. 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.

  14. 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.

  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

    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

  18. 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.

  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. 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

  1. 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.

  2. 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

  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. 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.

  6. 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

  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. 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.

  14. 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. ...

  15. 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 ...

  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. 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 ...

  3. 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 ...

  4. 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, ...

  5. 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 ...

  6. 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 ...

  7. 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. ...

  8. 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

  9. 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

  10. 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

  11. 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.

  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. 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.

  18. 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.

  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. 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

  14. 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.

  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. 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 ...

  17. 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.

  18. 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 ...

  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.

    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.

  4. 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

  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. 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.

  20. 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

  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. 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 ...

  9. 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 ; ...

  10. 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...