National Library of Energy BETA

Sample records for grain cxs applied

  1. Apply

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

    Applied Studies and Technology (AS&T) Applied Studies and Technology (AS&T) Applied Studies and Technology (AS&T) DOE established the Environmental Sciences Laboratory (ESL) in Grand Junction, Colorado, in 1991 to support its programs. ESL scientists perform applied research and laboratory-scale demonstrations of soil and groundwater remediation and treatment technologies. Capabilities Installation, monitoring, and operation of permeable reactive barriers Research of permeable

  2. Apply

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

    Apply Application Process Bringing together top space science students with internationally recognized researchers at Los Alamos in an educational and collaborative atmosphere. ...

  3. Dense, finely, grained composite materials

    DOE Patents [OSTI]

    Dunmead, Stephen D. (Davis, CA); Holt, Joseph B. (San Jose, CA); Kingman, Donald D. (Danville, CA); Munir, Zuhair A. (Davis, CA)

    1990-01-01

    Dense, finely grained composite materials comprising one or more ceramic phase or phase and one or more metallic and/or intermetallic phase or phases are produced by combustion synthesis. Spherical ceramic grains are homogeneously dispersed within the matrix. Methods are provided, which include the step of applying mechanical pressure during or immediately after ignition, by which the microstructures in the resulting composites can be controllably selected.

  4. FINE GRAIN NUCLEAR EMULSION

    DOE Patents [OSTI]

    Oliver, A.J.

    1962-04-24

    A method of preparing nuclear track emulsions having mean grain sizes less than 0.1 microns is described. The method comprises adding silver nitrate to potassium bromide at a rate at which there is always a constant, critical excess of silver ions. For minimum size grains, the silver ion concentration is maintained at the critical level of about pAg 2.0 to 5.0 during prectpitation, pAg being defined as the negative logarithm of the silver ion concentration. It is preferred to eliminate the excess silver at the conclusion of the precipitation steps. The emulsion is processed by methods in all other respects generally similar to the methods of the prior art. (AEC)

  5. Isotropic Monte Carlo Grain Growth

    Energy Science and Technology Software Center (OSTI)

    2013-04-25

    IMCGG performs Monte Carlo simulations of normal grain growth in metals on a hexagonal grid in two dimensions with periodic boundary conditions. This may be performed with either an isotropic or a misorientation - and incliantion-dependent grain boundary energy.

  6. Influence of Alloy and Solidification Parameters on Grain Refinement in Aluminum Weld Metal due to Inoculation

    SciTech Connect (OSTI)

    Schempp, Philipp [BAM, Germany; Tang, Z. [BIAS, Germany; Cross, Carl E. [Los Alamos National Laboratory; Seefeld, T. [BIAS, Germany; Pittner, A. [BAM, Germany; Rethmeier, M. [BAM, Germany

    2012-06-28

    The goals are: (1) Establish how much Ti/B grain refiner is need to completely refine aluminum weld metal for different alloys and different welding conditions; (2) Characterize how alloy composition and solidification parameters affect weld metal grain refinement; and (3) Apply relevant theory to understand observed behavior. Conclusions are: (1) additions of Ti/B grain refiner to weld metal in Alloys 1050, 5083, and 6082 resulted in significant grain refinement; (2) grain refinement was more effective in GTAW than LBW, resulting in finer grains at lower Ti content - reason is limited time available for equiaxed grain growth in LBW (inability to occlude columnar grain growth); (3) welding travel speed did not markedly affect grain size within GTAW and LBW clusters; and (4) application of Hunt CET analysis showed experimental G to be on the order of the critical G{sub CET}; G{sub CET} was consistently higher for GTAW than for LBW.

  7. Ethanol's Effect on Grain Supply and Prices

    SciTech Connect (OSTI)

    2008-01-01

    This document provides graphical information about ethanol's effect on grain supply and prices, uses of corn, and grain price trends.

  8. Supplying materials needed for grain growth characterizations of nano-grained UO2

    SciTech Connect (OSTI)

    Mo, Kun; Miao, Yinbin; Yun, Di; Jamison, Laura M.; Lian, Jie; Yao, Tiankei

    2015-09-30

    This activity is supported by the US Nuclear Energy Advanced Modeling and Simulation (NEAMS) Fuels Product Line (FPL) and aims at providing experimental data for the validation of the mesoscale simulation code MARMOT. MARMOT is a mesoscale multiphysics code that predicts the coevolution of microstructure and properties within reactor fuel during its lifetime in the reactor. It is an important component of the Moose-Bison-Marmot (MBM) code suite that has been developed by Idaho National Laboratory (INL) to enable next generation fuel performance modeling capability as part of the NEAMS Program FPL. In order to ensure the accuracy of the microstructure based materials models being developed within the MARMOT code, extensive validation efforts must be carried out. In this report, we summarize our preliminary synchrotron radiation experiments at APS to determine the grain size of nanograin UO2. The methodology and experimental setup developed in this experiment can directly apply to the proposed in-situ grain growth measurements. The investigation of the grain growth kinetics was conducted based on isothermal annealing and grain growth characterization as functions of duration and temperature. The kinetic parameters such as activation energy for grain growth for UO2 with different stoichiometry are obtained and compared with molecular dynamics (MD) simulations.

  9. Grained composite materials prepared by combustion synthesis under mechanical pressure

    DOE Patents [OSTI]

    Dunmead, Stephen D.; Holt, Joseph B.; Kingman, Donald D.; Munir, Zuhair A.

    1990-01-01

    Dense, finely grained composite materials comprising one or more ceramic phase or phase and one or more metallic and/or intermetallic phase or phases are produced by combustion synthesis. Spherical ceramic grains are homogeneously dispersed within the matrix. Methods are provided, which include the step of applying mechanical pressure during or immediately after ignition, by which the microstructures in the resulting composites can be controllably selected.

  10. Autonomous grain combine control system

    SciTech Connect (OSTI)

    Hoskinson, Reed L.; Kenney, Kevin L.; Lucas, James R.; Prickel, Marvin A.

    2013-06-25

    A system for controlling a grain combine having a rotor/cylinder, a sieve, a fan, a concave, a feeder, a header, an engine, and a control system. The feeder of the grain combine is engaged and the header is lowered. A separator loss target, engine load target, and a sieve loss target are selected. Grain is harvested with the lowered header passing the grain through the engaged feeder. Separator loss, sieve loss, engine load and ground speed of the grain combine are continuously monitored during the harvesting. If the monitored separator loss exceeds the selected separator loss target, the speed of the rotor/cylinder, the concave setting, the engine load target, or a combination thereof is adjusted. If the monitored sieve loss exceeds the selected sieve loss target, the speed of the fan, the size of the sieve openings, or the engine load target is adjusted.

  11. Assessment of local deformation using EBSD: Quantification of local damage at grain boundaries

    SciTech Connect (OSTI)

    Kamaya, Masayuki

    2012-04-15

    Electron backscatter diffraction (EBSD) in conjunction with scanning electron microscopy was used to assess localization of the local misorientation to grain boundary. In order to quantify the degree of localization, a parameter, which was referred to as the grain boundary local misorientation, was proposed. Through crystal orientation measurements using deformed Type 316 stainless steel, it was shown that the grain boundary local misorientation increased with the applied plastic strain. Particularly, at several grain boundaries, the grain boundary local misorientation was more than 3 times the local misorientation averaged for the whole area. Surface observations revealed that the large local misorientation near the grain boundaries was attributed to the impeded slip steps rather than the number of slip steps observed on the surface. The magnitude of the grain boundary local misorientation had a week correlation with grain boundary length or grain boundary misorientation, and no correlation was found for twin boundaries. Finally, it was shown that the maximum grain boundary local misorientation could be estimated statistically, and the estimated maximum value for the specimen surface with an area of 80 mm{sup 2} was 10.6 times the averaged value. - Highlights: Black-Right-Pointing-Pointer The grain boundary local misorientation was proposed. Black-Right-Pointing-Pointer The maximum grain boundary local misorientation could be estimated statistically. Black-Right-Pointing-Pointer The large local misorientation was attributed to the impeded slip steps.

  12. Grenoble Alpes Incubation GRAIN | Open Energy Information

    Open Energy Info (EERE)

    GRAIN Jump to: navigation, search Name: Grenoble Alpes Incubation (GRAIN) Place: France Sector: Services Product: General Financial & Legal Services ( Government Public...

  13. Heartland Grain Fuels LP | Open Energy Information

    Open Energy Info (EERE)

    Name: Heartland Grain Fuels LP Place: Aberdeen, South Dakota Zip: 57401 Sector: Bioenergy Product: Heartland Grain Fuels is a cooperatively-owned producer of corn-derived...

  14. Applied combustion

    SciTech Connect (OSTI)

    1993-12-31

    From the title, the reader is led to expect a broad practical treatise on combustion and combustion devices. Remarkably, for a book of modest dimension, the author is able to deliver. The text is organized into 12 Chapters, broadly treating three major areas: combustion fundamentals -- introduction (Ch. 1), thermodynamics (Ch. 2), fluid mechanics (Ch. 7), and kinetics (Ch. 8); fuels -- coal, municipal solid waste, and other solid fuels (Ch. 4), liquid (Ch. 5) and gaseous (Ch. 6) fuels; and combustion devices -- fuel cells (Ch. 3), boilers (Ch. 4), Otto (Ch. 10), diesel (Ch. 11), and Wankel (Ch. 10) engines and gas turbines (Ch. 12). Although each topic could warrant a complete text on its own, the author addresses each of these major themes with reasonable thoroughness. Also, the book is well documented with a bibliography, references, a good index, and many helpful tables and appendices. In short, Applied Combustion does admirably fulfill the author`s goal for a wide engineering science introduction to the general subject of combustion.

  15. GRAIN REFINEMENT OF URANIUM BILLETS

    DOE Patents [OSTI]

    Lewis, L.

    1964-02-25

    A method of refining the grain structure of massive uranium billets without resort to forging is described. The method consists in the steps of beta- quenching the billets, annealing the quenched billets in the upper alpha temperature range, and extrusion upset of the billets to an extent sufficient to increase the cross sectional area by at least 5 per cent. (AEC)

  16. Goddard rattler-jamming mechanism for quantifying pressure dependence of elastic moduli of grain packs

    SciTech Connect (OSTI)

    Pride, Steven R.; Berryman, James G.

    2009-01-05

    An analysis is presented to show how it is possible for unconsolidated granular packings to obey overall non-Hertzian pressure dependence due to the imperfect and random spatial arrangements of the grains in these packs. With imperfect arrangement, some gaps that remain between grains can be closed by strains applied to the grain packing. As these gaps are closed, former rattler grains become jammed and new stress-bearing contacts are created that increase the elastic stiffness of the packing. By allowing for such a mechanism, detailed analytical expressions are obtained for increases in bulk modulus of a random packing of grains with increasing stress and strain. Only isotropic stress and strain are considered in this analysis. The model is shown to give a favorable fit to laboratory data on variations in bulk modulus due to variations in applied pressure for bead packs.

  17. ULTRAVIOLET RADIATION INSIDE INTERSTELLAR GRAIN AGGREGATES. III. FLUFFY GRAINS

    SciTech Connect (OSTI)

    Cacciola, Adriano; Saija, Rosalba; Borghese, Ferdinando; Denti, Paolo; Cecchi-Pestellini, Cesare; Iati, Maria Antonia

    2009-08-20

    We study the problem of light depolarization within fluffy interstellar dust grains, in which coagulation generates interstitial cavities partly filled with icy condensed gas. A significant amount of elliptical polarized ultraviolet radiation may be generated in situ by geometry-induced depolarization within the cavities. The behavior of the depolarization is studied both by changing the orientation of the aggregates and by changing chemical composition and size of the subunits forming the aggregate. We found that a considerable amount of depolarization occurs within the ice mantles of the subunits, provided their thickness is not too large. We discuss the implications of these results for chiral selection in space.

  18. CX-011282: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Mechanisms for Methane Transport and Hydrate Accumulation in Coarse-Grained Sediments CX(s) Applied: A9 Date: 09/26/2013 Location(s): Texas Offices(s): National Energy Technology Laboratory

  19. CX-009544: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    How Grain Boundaries Affect the Efficiency of Poly-Cadmium Telluride Solar-Cells CX(s) Applied: A9, B3.6 Date: 11/19/2012 Location(s): Illinois Offices(s): Golden Field Office

  20. CX-011018: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    A Systematic Multiscale Modeling and Experimental Approach to Protect Grain Boundaries in Magnesium… CX(s) Applied: A9, B3.6 Date: 09/11/2013 Location(s): Mississippi Offices(s): National Energy Technology Laboratory

  1. CX-011019: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    A Systematic Multiscale Modeling and Experimental Approach to Protect Grain Boundaries in Magnesium… CX(s) Applied: A9 Date: 09/11/2013 Location(s): Washington Offices(s): National Energy Technology Laboratory

  2. CX-010983: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Mechanisms for Methane Transport and Hydrate Accumulation in Coarse-Grained Sediments CX(s) Applied: A9 Date: 09/13/2013 Location(s): New York Offices(s): National Energy Technology Laboratory

  3. CX-010982: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Mechanisms for Methane Transport and Hydrate Accumulation in Coarse-Grained Sediments CX(s) Applied: A9 Date: 09/13/2013 Location(s): Ohio Offices(s): National Energy Technology Laboratory

  4. Strain softening mechanism at meso scale during micro-compression in an ultrafine-grained pure copper

    SciTech Connect (OSTI)

    Xu, Jie; Li, Jianwei; Shan, Debin; Guo, Bin

    2015-09-15

    Strain softening behavior has been found at meso scale using micro-compression testing in an ultrafine-grained (UFG) pure copper by comparison with the typical strain hardening in conventional coarse-grained (CG) material. Microstructural observations show that grain size remains nearly the same including the fraction of high-angle grain boundaries during micro-compression in UFG pure copper. The Kernel average misorientation(KAM) distribution measured by electron backscatter diffraction (EBSD), as a statistical method, is applied to qualitatively evaluate dislocation density in the interior of the grains. It is suggested that the deformation mechanisms are dominated by grain boundary sliding and grain rotation accompanied by dislocation slip in UFG pure copper, which demonstrates that the strain softening behavior is primarily caused by dislocation annihilation during micro-compression.

  5. Grain alignment in starless cores

    SciTech Connect (OSTI)

    Jones, T. J.; Bagley, M.; Krejny, M.; Andersson, B.-G.; Bastien, P.

    2015-01-01

    We present near-IR polarimetry data of background stars shining through a selection of starless cores taken in the K band, probing visual extinctions up to A{sub V}∼48. We find that P{sub K}/τ{sub K} continues to decline with increasing A{sub V} with a power law slope of roughly −0.5. Examination of published submillimeter (submm) polarimetry of starless cores suggests that by A{sub V}≳20 the slope for P versus τ becomes ∼−1, indicating no grain alignment at greater optical depths. Combining these two data sets, we find good evidence that, in the absence of a central illuminating source, the dust grains in dense molecular cloud cores with no internal radiation source cease to become aligned with the local magnetic field at optical depths greater than A{sub V}∼20. A simple model relating the alignment efficiency to the optical depth into the cloud reproduces the observations well.

  6. Consideration of Grain Size Distribution in the Diffusion of Fission Gas to Grain Boundaries

    SciTech Connect (OSTI)

    Paul C. Millett; Yongfeng Zhang; Michael R. Tonks; S. B. Biner

    2013-09-01

    We analyze the accumulation of fission gas on grain boundaries in a polycrystalline microstructure with a distribution of grain sizes. The diffusion equation is solved throughout the microstructure to evolve the gas concentration in space and time. Grain boundaries are treated as infinite sinks for the gas concentration, and we monitor the cumulative gas inventory on each grain boundary throughout time. We consider two important cases: first, a uniform initial distribution of gas concentration without gas production (correlating with post-irradiation annealing), and second, a constant gas production rate with no initial gas concentration (correlating with in-reactor conditions). The results show that a single-grain-size model, such as the Booth model, over predicts the gas accumulation on grain boundaries compared with a polycrystal with a grain size distribution. Also, a considerable degree of scatter, or variability, exists in the grain boundary gas accumulation when comparing all of the grain boundaries in the microstructure.

  7. Ultrafine-grained titanium for medical implants

    DOE Patents [OSTI]

    Zhu, Yuntian T.; Lowe, Terry C.; Valiev, Ruslan Z.; Stolyarov, Vladimir V.; Latysh, Vladimir V.; Raab, Georgy J.

    2002-01-01

    We disclose ultrafine-grained titanium. A coarse-grained titanium billet is subjected to multiple extrusions through a preheated equal channel angular extrusion (ECAE) die, with billet rotation between subsequent extrusions. The resulting billet is cold processed by cold rolling and/or cold extrusion, with optional annealing. The resulting ultrafine-grained titanium has greatly improved mechanical properties and is used to make medical implants.

  8. Midwest Grain Processors MGP | Open Energy Information

    Open Energy Info (EERE)

    Midwest Grain Processors (MGP) Place: Lakota, Iowa Zip: 50451 Product: Iowa-based bioethanol producer using corn as feedstock. Coordinates: 48.042535, -98.335979 Show Map...

  9. Ethanol Grain Processors LLC | Open Energy Information

    Open Energy Info (EERE)

    Processors LLC Jump to: navigation, search Name: Ethanol Grain Processors, LLC Place: Obion, Tennessee Zip: TN 38240 Product: Tennessee-based ethanol producer. Coordinates:...

  10. Linking atomistic and mesoscale simulations of nanocrystalline materials : quantitative validation for the case of grain growth.

    SciTech Connect (OSTI)

    Moldovan, D.; Wolf, D.; Phillpot, S. R.; Materials Science Division; Louisiana State Univ.

    2003-11-01

    Using grain growth in nanocrystalline palladium as a simple case study, we demonstrate how a novel mesoscale approach for simulating microstructural evolution in polycrystalline materials can be validated directly against atomic-level simulations of the same system. We first describe molecular dynamics simulations of grain growth in a columnar model microstructure. The atomic-level insights into the grain-growth mechanism gained from these simulations, particularly in the role of grain rotations, are captured theoretically for incorporation into the mesoscale approach, in which the objects evolving in space and time are the grain boundaries and grain junctions rather than the atoms. With all the input parameters to the mesoscale being physically well defined and obtained directly from the atomic-level simulations, the mesoscale simulations are fully prescribed. We find that the morphology of the mesoscale system evolves in an almost identical manner with that of the molecular dynamics simulation, demonstrating that the length- and time-scale linking has been performed correctly. When applied to systems containing large numbers of grains, the now validated mesoscale simulation approach allows the growth topology and long-time growth kinetics to be determined. As an outlook, we describe how the effects of applied stress can be incorporated.

  11. Method of making quasi-grain boundary-free polycrystalline solar cell structure and solar cell structure obtained thereby

    DOE Patents [OSTI]

    Gonzalez, Franklin N.; Neugroschel, Arnost

    1984-02-14

    A new solar cell structure is provided which will increase the efficiency of polycrystalline solar cells by suppressing or completely eliminating the recombination losses due to the presence of grain boundaries. This is achieved by avoiding the formation of the p-n junction (or other types of junctions) in the grain boundaries and by eliminating the grain boundaries from the active area of the cell. This basic concept can be applied to any polycrystalline material; however, it will be most beneficial for cost-effective materials having small grains, including thin film materials.

  12. Stabilizing Nanocrystalline Grains in Ceramic-Oxides

    SciTech Connect (OSTI)

    Aidhy, Dilpuneet S; Zhang, Yanwen; Weber, William J

    2013-01-01

    Nanocrystalline ceramic-oxides are prone to grain growth rendering their highly attractive properties practically unusable. Using atomistic simulations ofon ceria as a model material system, we elucidate a framework to design dopant-pinned grain boundaries that prevent this grain growth. While in metallic systems it has been shown that a large mismatch between host and dopant atomic size prevents grain growth, in ceramic-oxides we find that this concept is not applicable. Instead, we find that dopant-oxygen vacancy interaction, i.e., dopant migration energy in the presence of oxygen vacancy, and dopant-oxygen vacancy binding energy are the controlling factors in grain growth. Our prediction agrees with and explains previous experimental observations.

  13. How To Apply

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

    CSCNSI How To Apply How to Apply for Computer System, Cluster, and Networking Summer Institute Emphasizes practical skills development Contact Leader Stephan Eidenbenz (505)...

  14. Phloem Transport of Arsenic Species from Flag Leaf to Grain During Grain Filling

    SciTech Connect (OSTI)

    A Carey; G Norton; C Deacon; K Scheckel; E Lombi; T Punshon; M Guerinot; A Lanzirotti; M Newville; et al.

    2011-12-31

    Strategies to reduce arsenic (As) in rice grain, below concentrations that represent a serious human health concern, require that the mechanisms of As accumulation within grain be established. Therefore, retranslocation of As species from flag leaves into filling rice grain was investigated. Arsenic species were delivered through cut flag leaves during grain fill. Spatial unloading within grains was investigated using synchrotron X-ray fluorescence (SXRF) microtomography. Additionally, the effect of germanic acid (a silicic acid analog) on grain As accumulation in arsenite-treated panicles was examined. Dimethylarsinic acid (DMA) and monomethylarsonic acid (MMA) were extremely efficiently retranslocated from flag leaves to rice grain; arsenate was poorly retranslocated, and was rapidly reduced to arsenite within flag leaves; arsenite displayed no retranslocation. Within grains, DMA rapidly dispersed while MMA and inorganic As remained close to the entry point. Germanic acid addition did not affect grain As in arsenite-treated panicles. Three-dimensional SXRF microtomography gave further information on arsenite localization in the ovular vascular trace (OVT) of rice grains. These results demonstrate that inorganic As is poorly remobilized, while organic species are readily remobilized, from leaves to grain. Stem translocation of inorganic As may not rely solely on silicic acid transporters.

  15. Phloem transport of arsenic species from flag leaf to grain during grain filling

    SciTech Connect (OSTI)

    Carey, Anne-Marie; Norton, Gareth J.; Deacon, Claire; Scheckel, Kirk G.; Lombi, Enzo; Punshon, Tracy; Guerinot, Mary Lou; Lanzirotti, Antonio; Newville, Matt; Choi, Yongseong; Price, Adam H.; Meharg, Andrew A.

    2011-09-20

    Strategies to reduce arsenic (As) in rice grain, below concentrations that represent a serious human health concern, require that the mechanisms of As accumulation within grain be established. Therefore, retranslocation of As species from flag leaves into filling rice grain was investigated. Arsenic species were delivered through cut flag leaves during grain fill. Spatial unloading within grains was investigated using synchrotron X-ray fluorescence (SXRF) microtomography. Additionally, the effect of germanic acid (a silicic acid analog) on grain As accumulation in arsenite-treated panicles was examined. Dimethylarsinic acid (DMA) and monomethylarsonic acid (MMA) were extremely efficiently retranslocated from flag leaves to rice grain; arsenate was poorly retranslocated, and was rapidly reduced to arsenite within flag leaves; arsenite displayed no retranslocation. Within grains, DMA rapidly dispersed while MMA and inorganic As remained close to the entry point. Germanic acid addition did not affect grain As in arsenite-treated panicles. Three-dimensional SXRF microtomography gave further information on arsenite localization in the ovular vascular trace (OVT) of rice grains. These results demonstrate that inorganic As is poorly remobilized, while organic species are readily remobilized, from leaves to grain. Stem translocation of inorganic As may not rely solely on silicic acid transporters.

  16. Photoluminescence Imaging of Large-Grain CdTe for Grain Boundary Characterization

    SciTech Connect (OSTI)

    Johnston, Steve; Allende Motz, Alyssa; Reese, Matthew O.; Burst, James M.; Metzger, Wyatt K.

    2015-06-14

    In this work, we use photoluminescence (PL) imaging to characterize CdTe grain boundary recombination. We use a silicon megapixel camera and green (532 nm) laser diodes for excitation. A microscope objective lens system is used for high spatial resolution and a field of view down to 190 um x 190 um. PL images of large-grain (5 to 50 um) CdTe samples show grain boundary and grain interior features that vary with processing conditions. PL images of samples in the as-deposited state show distinct dark grain boundaries that suggest high excess carrier recombination. A CdCl2 treatment leads to PL images with very little distinction at the grain boundaries, which illustrates the grain boundary passivation properties. Other process conditions are also shown, along with comparisons of PL images to high spatial resolution time-resolved PL carrier lifetime maps.

  17. Applied Research Center

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

    ARC Privacy and Security Notice Skip over navigation Search the JLab Site Applied Research Center Please upgrade your browser. This site's design is only visible in a graphical browser that supports web standards, but its content is accessible to any browser. Concerns? Applied Research Center ARC Home Consortium News EH&S Reports print version ARC Resources Commercial Tenants ARC Brochure Library Conference Room Applied Research Center Applied Research Center front view Applied Research

  18. Optimization of strength and ductility in nanotwinned ultrafine grained Ag: twin density and grain orientations

    SciTech Connect (OSTI)

    Ott, R. T.; Geng, J.; Besser, M. F.; Kramer, M. J.; Wang, Y. M.; Park, E. S.; LeSar, R.; King, A. H.

    2015-06-27

    Nanotwinned ultrafine grained Ag thick films with different twin densities and orientations have been synthesized by magnetron sputtering with a wide-range of deposition rates. The twin boundary (TB) spacings and orientations as well as the grain size for the different deposition conditions have been characterized by both synchrotron X-ray scattering and transmission electron microscopy (TEM). Structural characterization combined with uniaxial tensile tests of the free-standing films reveals a large increase in the yield strength for films deposited at high deposition rates without any accompanying change in the TB spacing – a behavior that is in contrast with what has been reported in the literature. We find that films deposited at lower deposition rates exhibit more randomly oriented grains with a lower overall twin density (averaged over all the grains) than the more heavily twinned grains with strong <111> fiber texture in the films deposited at higher deposition rates. The TB spacing in the twinned grains, however, does not show any significant dependence on the deposition rate. The dependence of the strength and ductility on the twin density and orientations can be described by two different soft deformation modes: 1) untwinned grains and 2) nanowinned grains that are not oriented with <111> along the growth direction. The untwinned grains provide relatively low resistance to slip, and thus decreased strength, while the nanotwinned grains that are not oriented with <111> along the growth direction are softer than nanotwinned grains that are oriented with <111> along the growth direction. We reveal that an ultrafine-grained (150-200 nm) structure consisting of a mixture of nanotwinned (~ 8-12 nm spacing) and untwined grains yields the best combination of high strength and uniform tensile ductility.

  19. Optimization of strength and ductility in nanotwinned ultrafine grained Ag: twin density and grain orientations

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

    Ott, R. T.; Geng, J.; Besser, M. F.; Kramer, M. J.; Wang, Y. M.; Park, E. S.; LeSar, R.; King, A. H.

    2015-06-27

    Nanotwinned ultrafine grained Ag thick films with different twin densities and orientations have been synthesized by magnetron sputtering with a wide-range of deposition rates. The twin boundary (TB) spacings and orientations as well as the grain size for the different deposition conditions have been characterized by both synchrotron X-ray scattering and transmission electron microscopy (TEM). Structural characterization combined with uniaxial tensile tests of the free-standing films reveals a large increase in the yield strength for films deposited at high deposition rates without any accompanying change in the TB spacing – a behavior that is in contrast with what has beenmore » reported in the literature. We find that films deposited at lower deposition rates exhibit more randomly oriented grains with a lower overall twin density (averaged over all the grains) than the more heavily twinned grains with strong <111> fiber texture in the films deposited at higher deposition rates. The TB spacing in the twinned grains, however, does not show any significant dependence on the deposition rate. The dependence of the strength and ductility on the twin density and orientations can be described by two different soft deformation modes: 1) untwinned grains and 2) nanowinned grains that are not oriented with <111> along the growth direction. The untwinned grains provide relatively low resistance to slip, and thus decreased strength, while the nanotwinned grains that are not oriented with <111> along the growth direction are softer than nanotwinned grains that are oriented with <111> along the growth direction. We reveal that an ultrafine-grained (150-200 nm) structure consisting of a mixture of nanotwinned (~ 8-12 nm spacing) and untwined grains yields the best combination of high strength and uniform tensile ductility.« less

  20. PROGRESS ON LARGE GRAIN AND SINGLE GRAIN NIOBIUM: INGOTS AND SHEET AND REVIEW OF PROGRESS ON LARGE GRAIN AND SINGLE GRAIN NIOBIUM CAVITIES

    SciTech Connect (OSTI)

    Peter Kneisel

    2008-02-12

    Large grain and single crystal niobium has been proposed several years ago as an alternative material to poly-crystalline niobium for superconducting cavities, exhibiting potential advantages such as ¿stream-lined¿ procedures, reduced costs and better reproducibility in performance. Several major laboratories have investigated the use of large grain and single crystal material in the past years and the niobium producing industry has responded in providing ingot material with enlarged grain sizes. Besides a large number of single cell and multi-cell cavities from large grain niobium, several single crystal cavities have been fabricated and tested with good performances. This contribution will review the progress since the SRF workshop in 2005 in material processing and handling and in cavity performances.

  1. Northeast Missouri Grain LLC | Open Energy Information

    Open Energy Info (EERE)

    Missouri Grain LLC Place: Macon, Missouri Zip: 63552 Product: 36mmgy (136.3m litresy) ethanol producer. Coordinates: 35.153245, -89.491999 Show Map Loading map......

  2. United Wisconsin Grain Producers UWGP | Open Energy Information

    Open Energy Info (EERE)

    Name: United Wisconsin Grain Producers (UWGP) Place: Friesland, Wisconsin Product: Bioethanol producer using corn as feedstock References: United Wisconsin Grain Producers...

  3. Science at the interface : grain boundaries in nanocrystalline...

    Office of Scientific and Technical Information (OSTI)

    Science at the interface : grain boundaries in nanocrystalline metals. Citation Details In-Document Search Title: Science at the interface : grain boundaries in nanocrystalline ...

  4. Suppression of Grain Boundaries in Graphene Growth on Superstructured...

    Office of Scientific and Technical Information (OSTI)

    Suppression of Grain Boundaries in Graphene Growth on Superstructured Mn-Cu(111) Surface Title: Suppression of Grain Boundaries in Graphene Growth on Superstructured Mn-Cu(111) ...

  5. Grain orientation dependence of lattice strains and intergranular...

    Office of Scientific and Technical Information (OSTI)

    Grain orientation dependence of lattice strains and intergranular damage rates in polycrystals under cyclic loading Citation Details In-Document Search Title: Grain orientation ...

  6. Photoluminescence Imaging of Large-Grain CdTe for Grain Boundary...

    Office of Scientific and Technical Information (OSTI)

    Subject: 14 SOLAR ENERGY; 36 MATERIALS SCIENCE cadmium compounds; charge carrier lifetime; grain boundaries; imaging; photoluminescence; photovoltaic cells; tellurium Word Cloud ...

  7. Orientation influence on grain size-effects in ultrafine-grained magnesium

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

    Fan, Haidong; Aubry, Sylvie; Arsenlis, A.; El-Awady, Jaafar

    2014-11-08

    The mechanical behavior of ultrafine-grained magnesium was studied by discrete dislocation dynamics (DDD) simulations. Our results show basal slip yields a strong size effect, while prismatic and pyramidal slips produce a weak one. We developed a new size-strength model that considers dislocation transmission across grain boundaries. Good agreement between this model, current DDD simulations and previous experiments is observed. These results reveal that the grain size effect depends on 3 factors: Peierls stress, dislocation source strength and grain boundary strength.

  8. In-situ single-grain peak profile measurements on Ti-7Al during tensile deformation.

    SciTech Connect (OSTI)

    Lienert, U.; Brandes, M. C.; Bernier, J. V.; Weiss, J.; Shastri, S. D.; Mills, M. J.; Miller, M. P.; US Naval Research Lab.; LLNL; Mechanical Solutions, Inc.; Ohio State Univ.; Cornell Univ.

    2009-10-25

    High-energy three-dimensional X-ray diffraction with medium and high reciprocal space resolution was applied to study in situ tensile deformation of Ti-7Al specimens. Samples with planar and random dislocation microstructures were prepared and characterized by electron microscopy. Stress tensors of individual grains were obtained at several loads up to 2% deformation. The stress tensors were found to rotate, and resolved shear stresses were calculated. High-resolution reciprocal space maps of selected grains were recorded. Azimuthal and radial distributions were visualized and discussed in terms of idealized dislocation structures. Heterogeneous grain rotations were observed for the planar microstructure and found to be consistent with activation of the highest stressed basal slip system. Intra-granular strain gradients were detected in excess of the intrinsic radial dislocation peak broadening. The potential of combining the applied techniques with modeling to obtain multiple length-scale information during deformation of bulk specimens is discussed.

  9. Applied & Computational Math

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

    & Computational Math - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us ... Twitter Google + Vimeo GovDelivery SlideShare Applied & Computational Math HomeEnergy ...

  10. Applied Computer Science

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

    7 Applied Computer Science Innovative co-design of applications, algorithms, and architectures in order to enable scientific simulations at extreme scale Leadership Group Leader ...

  11. Large grain cavities from pure niobium ingot

    DOE Patents [OSTI]

    Myneni, Ganapati Rao; Kneisel, Peter; Cameiro, Tadeu

    2012-03-06

    Niobium cavities are fabricated by the drawing and ironing of as cast niobium ingot slices rather than from cold rolled niobium sheet. This method results in the production of niobium cavities having a minimum of grain boundaries at a significantly reduced cost as compared to the production of such structures from cold rolled sheet.

  12. Applied Science/Techniques

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

    Applied ScienceTechniques Print The ALS is an excellent incubator of new scientific techniques and instrumentation. Many of the technical advances that make the ALS a world-class...

  13. How To Apply

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

    How To Apply How to Apply for Computer System, Cluster, and Networking Summer Institute Emphasizes practical skills development Contacts Program Lead Carolyn Connor (505) 665-9891 Email Professional Staff Assistant Nickole Aguilar Garcia (505) 665-3048 Email The 2016 application process will commence January 5 through February 13, 2016. Applicants must be U.S. citizens. Required Materials Current resume Official university transcript (with Spring courses posted and/or a copy of Spring 2016

  14. On the interaction of solutes with grain boundaries

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

    Dingreville, Remi Philippe Michel; Berbenni, Stephane

    2015-11-01

    Solute segregation to grain boundaries is considered by modeling solute atoms as misfitting inclusions within a disclination structural unit model describing the grain boundary structure and its intrinsic stress field. The solute distribution around grain boundaries is described through Fermi–Dirac statistics of site occupancy. The susceptibility of hydrogen segregation to symmetric tilt grain boundaries is discussed in terms of the misorientation angle, the defect type characteristics at the grain boundary, temperature, and the prescribed bulk hydrogen fraction of occupied sites. Through this formalism, it is found that hydrogen trapping on grain boundaries clearly correlates with the grain boundary structure (i.e.more » type of structural unit composing the grain boundary), and the associated grain boundary misorientation. Specifically, for symmetric tilt grain boundaries about the [001] axis, grain boundaries composed of both B and C structural units show a lower segregation susceptibility than other grain boundaries. A direct correlation between the segregation susceptibility and the intrinsic net defect density is provided through the Frank–Bilby formalism. Moreover, the present formulation could prove to be a simple and useful model to identify classes of grain boundaries relevant to grain boundary engineering.« less

  15. On the interaction of solutes with grain boundaries

    SciTech Connect (OSTI)

    Dingreville, Remi Philippe Michel; Berbenni, Stephane

    2015-11-01

    Solute segregation to grain boundaries is considered by modeling solute atoms as misfitting inclusions within a disclination structural unit model describing the grain boundary structure and its intrinsic stress field. The solute distribution around grain boundaries is described through Fermi–Dirac statistics of site occupancy. The susceptibility of hydrogen segregation to symmetric tilt grain boundaries is discussed in terms of the misorientation angle, the defect type characteristics at the grain boundary, temperature, and the prescribed bulk hydrogen fraction of occupied sites. Through this formalism, it is found that hydrogen trapping on grain boundaries clearly correlates with the grain boundary structure (i.e. type of structural unit composing the grain boundary), and the associated grain boundary misorientation. Specifically, for symmetric tilt grain boundaries about the [001] axis, grain boundaries composed of both B and C structural units show a lower segregation susceptibility than other grain boundaries. A direct correlation between the segregation susceptibility and the intrinsic net defect density is provided through the Frank–Bilby formalism. Moreover, the present formulation could prove to be a simple and useful model to identify classes of grain boundaries relevant to grain boundary engineering.

  16. 4-D XRD for strain in many grains using triangulation

    SciTech Connect (OSTI)

    Bale, Hrishikesh A.; Hanan, Jay C.; Tamura, Nobumichi

    2006-12-31

    Determination of the strains in a polycrystalline materialusing 4-D XRD reveals sub-grain and grain-to-grain behavior as a functionof stress. Here 4-D XRD involves an experimental procedure usingpolychromatic micro-beam X-radiation (micro-Laue) to characterizepolycrystalline materials in spatial location as well as with increasingstress. The in-situ tensile loading experiment measured strain in a modelaluminum-sapphire metal matrix composite using the Advanced Light Source,Beam-line 7.3.3. Micro-Laue resolves individual grains in thepolycrystalline matrix. Results obtained from a list of grains sorted bycrystallographic orientation depict the strain states within and amongindividual grains. Locating the grain positions in the planeperpendicular to the incident beam is trivial. However, determining theexact location of grains within a 3-D space is challenging. Determiningthe depth of the grains within the matrix (along the beam direction)involved a triangulation method tracing individual rays that producespots on the CCD back to the point of origin. Triangulation wasexperimentally implemented by simulating a 3-D detector capturingmultiple diffraction images while increasing the camera to sampledistance. Hence by observing the intersection of rays from multiple spotsbelonging to the corresponding grain, depth is calculated. Depthresolution is a function of the number of images collected, grain to beamsize ratio, and the pixel resolution of the CCD. The 4DXRD methodprovides grain morphologies, strain behavior of each grain, andinteractions of the matrix grains with each other and the centrallylocated single crystal fiber.

  17. A coarse-graining approach for molecular simulation that retains the dynamics of the all-atom reference system by implementing hydrodynamic interactions

    SciTech Connect (OSTI)

    Markutsya, Sergiy; Lamm, Monica H.

    2014-11-07

    We report on a new approach for deriving coarse-grained intermolecular forces that retains the frictional contribution that is often discarded by conventional coarse-graining methods. The approach is tested for water and an aqueous glucose solution, and the results from the new implementation for coarse-grained molecular dynamics simulation show remarkable agreement with the dynamics obtained from reference all-atom simulations. The agreement between the structural properties observed in the coarse-grained and all-atom simulations is also preserved. We discuss how this approach may be applied broadly to any existing coarse-graining method where the coarse-grained models are rigorously derived from all-atom reference systems.

  18. Abnormal grain growth in AISI 304L stainless steel

    SciTech Connect (OSTI)

    Shirdel, M.; Mirzadeh, H.; Parsa, M.H.

    2014-11-15

    The microstructural evolution during abnormal grain growth (secondary recrystallization) in 304L stainless steel was studied in a wide range of annealing temperatures and times. At relatively low temperatures, the grain growth mode was identified as normal. However, at homologous temperatures between 0.65 (850 °C) and 0.7 (900 °C), the observed transition in grain growth mode from normal to abnormal, which was also evident from the bimodality in grain size distribution histograms, was detected to be caused by the dissolution/coarsening of carbides. The microstructural features such as dispersed carbides were characterized by optical metallography, X-ray diffraction, scanning electron microscopy, energy dispersive X-ray analysis, and microhardness. Continued annealing to a long time led to the completion of secondary recrystallization and the subsequent reappearance of normal growth mode. Another instance of abnormal grain growth was observed at homologous temperatures higher than 0.8, which may be attributed to the grain boundary faceting/defaceting phenomenon. It was also found that when the size of abnormal grains reached a critical value, their size will not change too much and the grain growth behavior becomes practically stagnant. - Highlights: • Abnormal grain growth (secondary recrystallization) in AISI 304L stainless steel • Exaggerated grain growth due to dissolution/coarsening of carbides • The enrichment of carbide particles by titanium • Abnormal grain growth due to grain boundary faceting at very high temperatures • The stagnancy of abnormal grain growth by annealing beyond a critical time.

  19. Apply for Beamtime

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

    Apply for Beamtime Apply for Beamtime Print Friday, 28 August 2009 13:23 Available Beamlines Determine which ALS beamlines are suitable for your experiment. To do this, you can review the ALS Beamlines Directory, contact the appropriate beamline scientist listed on the Directory, and/or contact the This e-mail address is being protected from spambots. You need JavaScript enabled to view it . Log In to the ALSHub user portal ALSHub Login For More Information About the Types of Proposals To learn

  20. Synchrotron characterization of nanograined UO2 grain growth

    SciTech Connect (OSTI)

    Mo, Kun; Miao, Yinbin; Yun, Di; Jamison, Laura M.; Lian, Jie; Yao, Tiankei

    2015-09-30

    This activity is supported by the US Nuclear Energy Advanced Modeling and Simulation (NEAMS) Fuels Product Line (FPL) and aims at providing experimental data for the validation of the mesoscale simulation code MARMOT. MARMOT is a mesoscale multiphysics code that predicts the coevolution of microstructure and properties within reactor fuel during its lifetime in the reactor. It is an important component of the Moose-Bison-Marmot (MBM) code suite that has been developed by Idaho National Laboratory (INL) to enable next generation fuel performance modeling capability as part of the NEAMS Program FPL. In order to ensure the accuracy of the microstructure based materials models being developed within the MARMOT code, extensive validation efforts must be carried out. In this report, we summarize our preliminary synchrotron radiation experiments at APS to determine the grain size of nanograin UO2. The methodology and experimental setup developed in this experiment can directly apply to the proposed in-situ grain growth measurements. The investigation of the grain growth kinetics was conducted based on isothermal annealing and grain growth characterization as functions of duration and temperature. The kinetic parameters such as activation energy for grain growth for UO2 with different stoichiometry are obtained and compared with molecular dynamics (MD) simulations.

  1. Synthesis of fine-grained TATB

    DOE Patents [OSTI]

    Lee, Kien-Yin; Kennedy, James E.

    2003-04-15

    A method for producing fine-grained triamino-trinitrobenzene (TATB) powders having improved detonation-spreading performance and hence increased shock sensitivity when compared with that for ultrafine TATB is described. A single-step, sonochemical amination of trichloro-trinitrobenzene using ammonium hydroxide solution in a sealed vessel yields TATB having approximately 6 .mu.m median particle diameter and increased shock sensitivity.

  2. Square Grains in Asymmetric Rod-Coil Block Copolymers (Journal...

    Office of Scientific and Technical Information (OSTI)

    Unlike the rounded grains that are well known to form in most soft materials, square grains of microphase-separated lamellae are observed in thin films of a rod-coil block ...

  3. Grain Refinement of Permanent Mold Cast Copper Base Alloys

    SciTech Connect (OSTI)

    M.Sadayappan; J.P.Thomson; M.Elboujdaini; G.Ping Gu; M. Sahoo

    2005-04-01

    Grain refinement is a well established process for many cast and wrought alloys. The mechanical properties of various alloys could be enhanced by reducing the grain size. Refinement is also known to improve casting characteristics such as fluidity and hot tearing. Grain refinement of copper-base alloys is not widely used, especially in sand casting process. However, in permanent mold casting of copper alloys it is now common to use grain refinement to counteract the problem of severe hot tearing which also improves the pressure tightness of plumbing components. The mechanism of grain refinement in copper-base alloys is not well understood. The issues to be studied include the effect of minor alloy additions on the microstructure, their interaction with the grain refiner, effect of cooling rate, and loss of grain refinement (fading). In this investigation, efforts were made to explore and understand grain refinement of copper alloys, especially in permanent mold casting conditions.

  4. Advanced Biorefinery of Distriller's Grain and Corn Stover Blends

    SciTech Connect (OSTI)

    2006-04-01

    Fuel ethanol can be produced via the dry milling process, which converts corn grain to ethanol. The co-product, distiller’s grain (DG), is sold as a low-cost, high-protein feed source for livestock.

  5. Grain boundary and triple junction diffusion in nanocrystalline copper

    SciTech Connect (OSTI)

    Wegner, M. Leuthold, J.; Peterlechner, M.; Divinski, S. V.; Song, X.; Wilde, G.

    2014-09-07

    Grain boundary and triple junction diffusion in nanocrystalline Cu samples with grain sizes, ?d?, of ?35 and ?44?nm produced by spark plasma sintering were investigated by the radiotracer method using the {sup 63}Ni isotope. The measured diffusivities, D{sub eff}, are comparable with those determined previously for Ni grain boundary diffusion in well-annealed, high purity, coarse grained, polycrystalline copper, substantiating the absence of a grain size effect on the kinetic properties of grain boundaries in a nanocrystalline material at grain sizes d???35?nm. Simultaneously, the analysis predicts that if triple junction diffusion of Ni in Cu is enhanced with respect to the corresponding grain boundary diffusion rate, it is still less than 500?D{sub gb} within the temperature interval from 420?K to 470?K.

  6. Process for producing large grain cadmium telluride

    DOE Patents [OSTI]

    Hasoon, F.S.; Nelson, A.J.

    1996-01-16

    A process is described for producing a cadmium telluride polycrystalline film having grain sizes greater than about 20 {micro}m. The process comprises providing a substrate upon which cadmium telluride can be deposited and placing that substrate within a vacuum chamber containing a cadmium telluride effusion cell. A polycrystalline film is then deposited on the substrate through the steps of evacuating the vacuum chamber to a pressure of at least 10{sup {minus}6} torr.; heating the effusion cell to a temperature whereat the cell releases stoichiometric amounts of cadmium telluride usable as a molecular beam source for growth of grains on the substrate; heating the substrate to a temperature whereat a stoichiometric film of cadmium telluride can be deposited; and releasing cadmium telluride from the effusion cell for deposition as a film on the substrate. The substrate then is placed in a furnace having an inert gas atmosphere and heated for a sufficient period of time at an annealing temperature whereat cadmium telluride grains on the substrate grow to sizes greater than about 20 {micro}m.

  7. Process for producing large grain cadmium telluride

    DOE Patents [OSTI]

    Hasoon, Falah S. (Arvada, CO); Nelson, Art J. (Longmont, CO)

    1996-01-01

    A process for producing a cadmium telluride polycrystalline film having grain sizes greater than about 20 .mu.m. The process comprises providing a substrate upon which cadmium telluride can be deposited and placing that substrate within a vacuum chamber containing a cadmium telluride effusion cell. A polycrystalline film is then deposited on the substrate through the steps of evacuating the vacuum chamber to a pressure of at least 10.sup.-6 torr.; heating the effusion cell to a temperature whereat the cell releases stoichiometric amounts of cadmium telluride usable as a molecular beam source for growth of grains on the substrate; heating the substrate to a temperature whereat a stoichiometric film of cadmium telluride can be deposited; and releasing cadmium telluride from the effusion cell for deposition as a film on the substrate. The substrate then is placed in a furnace having an inert gas atmosphere and heated for a sufficient period of time at an annealing temperature whereat cadmium telluride grains on the substrate grow to sizes greater than about 20 .mu.m.

  8. Conservative and dissipative force field for simulation of coarse-grained alkane molecules: A bottom-up approach

    SciTech Connect (OSTI)

    Trment, Sbastien; Rousseau, Bernard, E-mail: bernard.rousseau@u-psud.fr [Laboratoire de Chimie-Physique, UMR 8000 CNRS, Universit Paris-Sud, Orsay (France)] [Laboratoire de Chimie-Physique, UMR 8000 CNRS, Universit Paris-Sud, Orsay (France); Schnell, Benot; Petitjean, Laurent; Couty, Marc [Manufacture Franaise des Pneumatiques MICHELIN, Centre de Ladoux, 23 place des Carmes, 63000 Clermont-Ferrand (France)] [Manufacture Franaise des Pneumatiques MICHELIN, Centre de Ladoux, 23 place des Carmes, 63000 Clermont-Ferrand (France)

    2014-04-07

    We apply operational procedures available in the literature to the construction of coarse-grained conservative and friction forces for use in dissipative particle dynamics (DPD) simulations. The full procedure rely on a bottom-up approach: large molecular dynamics trajectories of n-pentane and n-decane modeled with an anisotropic united atom model serve as input for the force field generation. As a consequence, the coarse-grained model is expected to reproduce at least semi-quantitatively structural and dynamical properties of the underlying atomistic model. Two different coarse-graining levels are studied, corresponding to five and ten carbon atoms per DPD bead. The influence of the coarse-graining level on the generated force fields contributions, namely, the conservative and the friction part, is discussed. It is shown that the coarse-grained model of n-pentane correctly reproduces self-diffusion and viscosity coefficients of real n-pentane, while the fully coarse-grained model for n-decane at ambient temperature over-predicts diffusion by a factor of 2. However, when the n-pentane coarse-grained model is used as a building block for larger molecule (e.g., n-decane as a two blobs model), a much better agreement with experimental data is obtained, suggesting that the force field constructed is transferable to large macro-molecular systems.

  9. Evolution of Grain Boundary Networks in Extreme Radiation Environments

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

    of the Evolution of Grain Boundary Networks in Extreme Radiation Environments. Evolution of Grain Boundary Networks in Extreme Radiation Environments Research Our objective is to understand the characteristics of an "optimal" grain boundary (GB) network that minimizes microstructural evolution in radiation environments. Through our research we have elucidated that this optimal network requires a balance between two populations of grain boundaries: low free volume (low free energy)

  10. Applied Cathode Enhancement and

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

    Applied Cathode Enhancement and Robustness Technologies (ACERT) Team Our project team, a part of Los Alamos National Laboratory (LANL) comprised of world leading experts from fields of accelerator design & testing, chemical synthesis of nanomaterials (quantum dots), and shielding application of nanomaterials (graphene and other atomically-thin sheets). Our goal is to develop and demonstrate 'designer' cold cathode electron sources with tunable parameters (bandgap, efficiency, optical

  11. Applied Computer Science

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

    7 Applied Computer Science Innovative co-design of applications, algorithms, and architectures in order to enable scientific simulations at extreme scale Leadership Group Leader Linn Collins Email Deputy Group Leader (Acting) Bryan Lally Email Climate modeling visualization Results from a climate simulation computed using the Model for Prediction Across Scales (MPAS) code. This visualization shows the temperature of ocean currents using a green and blue color scale. These colors were

  12. Applied Modern Physics

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

    1 Applied Modern Physics From the first bionic eye to airport scanners that detect liquid explosives, our expertise in developing advanced diagnostics results in real-world innovations. Contact Us Group Leader (acting) John George Email Deputy Group Leader Larry Schultz Email Group Office (505) 665-2545 Email QkarD Quantum key distribution technology could ensure truly secure commerce, banking, communications and data transfer. Read more... A history of excellence in the development and use of

  13. Effect of grain orientation on aluminum relocation at incipient melt conditions

    SciTech Connect (OSTI)

    Yilmaz, Nadir; Vigil, Francisco M.; Vigil, Miquela S.; Branam, Robert; Tolendino, Greg; Gill, Walt; Burl Donaldson, A.

    2015-09-01

    Aluminum is commonly used for structural applications in the aerospace industry because of its high strength in relation to its weight. It is necessary to understand the mechanical response of aluminum structures at elevated temperatures such as those experienced in a fire. Additionally, aluminum alloys exhibit many complicated behaviors that require further research and understanding, such as aluminum combustion, oxide skin formation and creep behavior. This paper discusses the effect of grain orientation on aluminum deformation subjected to heating at incipient melt conditions. Experiments were conducted by applying a vertical compressive force to aluminum alloy 7075 block test specimens. Furthermore, compression testing was done on test specimens with the applied load on the long transverse and short transverse orientations. Our results showed that the grain orientation significantly influences aluminum’s strength and mode of failure.

  14. Effect of grain orientation on aluminum relocation at incipient melt conditions

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

    Yilmaz, Nadir; Vigil, Francisco M.; Vigil, Miquela S.; Branam, Robert; Tolendino, Greg; Gill, Walt; Burl Donaldson, A.

    2015-09-01

    Aluminum is commonly used for structural applications in the aerospace industry because of its high strength in relation to its weight. It is necessary to understand the mechanical response of aluminum structures at elevated temperatures such as those experienced in a fire. Additionally, aluminum alloys exhibit many complicated behaviors that require further research and understanding, such as aluminum combustion, oxide skin formation and creep behavior. This paper discusses the effect of grain orientation on aluminum deformation subjected to heating at incipient melt conditions. Experiments were conducted by applying a vertical compressive force to aluminum alloy 7075 block test specimens. Furthermore,more » compression testing was done on test specimens with the applied load on the long transverse and short transverse orientations. Our results showed that the grain orientation significantly influences aluminum’s strength and mode of failure.« less

  15. Applied ALARA techniques

    SciTech Connect (OSTI)

    Waggoner, L.O.

    1998-02-05

    The presentation focuses on some of the time-proven and new technologies being used to accomplish radiological work. These techniques can be applied at nuclear facilities to reduce radiation doses and protect the environment. The last reactor plants and processing facilities were shutdown and Hanford was given a new mission to put the facilities in a safe condition, decontaminate, and prepare them for decommissioning. The skills that were necessary to operate these facilities were different than the skills needed today to clean up Hanford. Workers were not familiar with many of the tools, equipment, and materials needed to accomplish:the new mission, which includes clean up of contaminated areas in and around all the facilities, recovery of reactor fuel from spent fuel pools, and the removal of millions of gallons of highly radioactive waste from 177 underground tanks. In addition, this work has to be done with a reduced number of workers and a smaller budget. At Hanford, facilities contain a myriad of radioactive isotopes that are 2048 located inside plant systems, underground tanks, and the soil. As cleanup work at Hanford began, it became obvious early that in order to get workers to apply ALARA and use hew tools and equipment to accomplish the radiological work it was necessary to plan the work in advance and get radiological control and/or ALARA committee personnel involved early in the planning process. Emphasis was placed on applying,ALARA techniques to reduce dose, limit contamination spread and minimize the amount of radioactive waste generated. Progress on the cleanup has,b6en steady and Hanford workers have learned to use different types of engineered controls and ALARA techniques to perform radiological work. The purpose of this presentation is to share the lessons learned on how Hanford is accomplishing radiological work.

  16. Apply for Beamtime

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

    Apply for Beamtime Print Available Beamlines Determine which ALS beamlines are suitable for your experiment. To do this, you can review the ALS Beamlines Directory, contact the appropriate beamline scientist listed on the Directory, and/or contact the This e-mail address is being protected from spambots. You need JavaScript enabled to view it . Log In to the ALSHub user portal ALSHub Login For More Information About the Types of Proposals To learn more about the three different types of

  17. Apply for Beamtime

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

    Apply for Beamtime Print Available Beamlines Determine which ALS beamlines are suitable for your experiment. To do this, you can review the ALS Beamlines Directory, contact the appropriate beamline scientist listed on the Directory, and/or contact the This e-mail address is being protected from spambots. You need JavaScript enabled to view it . Log In to the ALSHub user portal ALSHub Login For More Information About the Types of Proposals To learn more about the three different types of

  18. Atomistic simulations of dislocation pileup: Grain boundaries interaction

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

    Wang, Jian

    2015-05-27

    Here, using molecular dynamics (MD) simulations, we studied the dislocation pileup–grain boundary (GB) interactions. Two Σ11 asymmetrical tilt grain boundaries in Al are studied to explore the influence of orientation relationship and interface structure on dislocation activities at grain boundaries. To mimic the reality of a dislocation pileup in a coarse-grained polycrystalline, we optimized the dislocation population in MD simulations and developed a predict-correct method to create a dislocation pileup in MD simulations. MD simulations explored several kinetic processes of dislocations–GB reactions: grain boundary sliding, grain boundary migration, slip transmission, dislocation reflection, reconstruction of grain boundary, and the correlation ofmore » these kinetic processes with the available slip systems across the GB and atomic structures of the GB.« less

  19. Atomistic simulations of dislocation pileup: Grain boundaries interaction

    SciTech Connect (OSTI)

    Wang, Jian

    2015-05-27

    Here, using molecular dynamics (MD) simulations, we studied the dislocation pileup–grain boundary (GB) interactions. Two Σ11 asymmetrical tilt grain boundaries in Al are studied to explore the influence of orientation relationship and interface structure on dislocation activities at grain boundaries. To mimic the reality of a dislocation pileup in a coarse-grained polycrystalline, we optimized the dislocation population in MD simulations and developed a predict-correct method to create a dislocation pileup in MD simulations. MD simulations explored several kinetic processes of dislocations–GB reactions: grain boundary sliding, grain boundary migration, slip transmission, dislocation reflection, reconstruction of grain boundary, and the correlation of these kinetic processes with the available slip systems across the GB and atomic structures of the GB.

  20. GRAIN BOUNDARY STRENGTHENING PROPERTIES OF TUNGSTEN ALLOYS

    SciTech Connect (OSTI)

    Setyawan, Wahyu; Kurtz, Richard J.

    2012-10-10

    Density functional theory was employed to investigate grain boundary (GB) properties of W alloys. A range of substitutional solutes across the Periodic Table was investigated to understand the behavior of different electronic orbitals in changing the GB cleavage energy in the Σ27a[110]{525} GB. A number of transition metals were predicted to enhance the GB cohesion. This includes Ru, Re, Os, Ir, V, Cr, Mn, Fe, Co, Ti, Hf, Ta and Nb. While lanthanides, s and p elements were tended to cause GB embrittlement.

  1. Systematic and simulation-free coarse graining of homopolymer melts: A structure-based study

    SciTech Connect (OSTI)

    Yang, Delian; Wang, Qiang

    2015-02-07

    We propose a systematic and simulation-free strategy for coarse graining of homopolymer melts, where each chain of N{sub m} monomers is uniformly divided into N segments, with the spatial position of each segment corresponding to the center-of-mass of its monomers. We use integral-equation theories suitable for the study of equilibrium properties of polymers, instead of many-chain molecular simulations, to obtain the structural and thermodynamic properties of both original and coarse-grained (CG) systems, and quantitatively examine how the effective pair potentials between CG segments and the thermodynamic properties of CG systems vary with N. Our systematic and simulation-free strategy is much faster than those using many-chain simulations, thus effectively solving the transferability problem in coarse graining, and provides the quantitative basis for choosing the appropriate N-values. It also avoids the problems caused by finite-size effects and statistical uncertainties in many-chain simulations. Taking the simple hard-core Gaussian thread model [K. S. Schweizer and J. G. Curro, Chem. Phys. 149, 105 (1990)] as the original system, we demonstrate our strategy applied to structure-based coarse graining, which is quite general and versatile, and compare in detail the various integral-equation theories and closures for coarse graining. Our numerical results show that the effective CG potentials for various N and closures can be collapsed approximately onto the same curve, and that structure-based coarse graining cannot give thermodynamic consistency between original and CG systems at any N < N{sub m}.

  2. Grain Accumulation of Selenium Species in Rice (Oryza sativa L.)

    SciTech Connect (OSTI)

    Carey, Anne-Marie; Scheckel, Kirk G.; Lombi, Enzo; Newville, Matt; Choi, Yongseong; Norton, Gareth J.; Price, Adam H.; Meharg, Andrew A.

    2012-09-05

    Efficient Se biofortification programs require a thorough understanding of the accumulation and distribution of Se species within the rice grain. Therefore, the translocation of Se species to the filling grain and their spatial unloading were investigated. Se species were supplied via cut flag leaves of intact plants and excised panicle stems subjected to a {+-} stem-girdling treatment during grain fill. Total Se concentrations in the flag leaves and grain were quantified by inductively coupled plasma mass spectrometry. Spatial accumulation was investigated using synchrotron X-ray fluorescence microtomography. Selenomethionine (SeMet) and selenomethylcysteine (SeMeSeCys) were transported to the grain more efficiently than selenite and selenate. SeMet and SeMeSeCys were translocated exclusively via the phloem, while inorganic Se was transported via both the phloem and xylem. For SeMet- and SeMeSeCys-fed grain, Se dispersed throughout the external grain layers and into the endosperm and, for SeMeSeCys, into the embryo. Selenite was retained at the point of grain entry. These results demonstrate that the organic Se species SeMet and SeMeSeCys are rapidly loaded into the phloem and transported to the grain far more efficiently than inorganic species. Organic Se species are distributed more readily, and extensively, throughout the grain than selenite.

  3. Order parameter re-mapping algorithm for 3D phase field model of grain growth using FEM

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

    Permann, Cody J.; Tonks, Michael R.; Fromm, Bradley; Gaston, Derek R.

    2016-01-14

    Phase field modeling (PFM) is a well-known technique for simulating microstructural evolution. To model grain growth using PFM, typically each grain is assigned a unique non-conserved order parameter and each order parameter field is evolved in time. Traditional approaches using a one-to-one mapping of grains to order parameters present a challenge when modeling large numbers of grains due to the computational expense of using many order parameters. This problem is exacerbated when using an implicit finite element method (FEM), as the global matrix size is proportional to the number of order parameters. While previous work has developed methods to reducemore » the number of required variables and thus computational complexity and run time, none of the existing approaches can be applied for an implicit FEM implementation of PFM. Here, we present a modular, dynamic, scalable reassignment algorithm suitable for use in such a system. Polycrystal modeling with grain growth and stress require careful tracking of each grain’s position and orientation which is lost when using a reduced order parameter set. In conclusion, the method presented in this paper maintains a unique ID for each grain even after reassignment, to allow the PFM to be tightly coupled to calculations of the stress throughout the polycrystal. Implementation details and comparative results of our approach are presented.« less

  4. ORISE: Applied health physics projects

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

    Applied health physics projects The Oak Ridge Institute for Science and Education (ORISE) provides applied health physics services to government agencies needing technical support ...

  5. Information Science, Computing, Applied Math

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

    Information Science, Computing, Applied Math Information Science, Computing, Applied Math National security depends on science and technology. The United States relies on Los ...

  6. Vortices of self-gravitating grains in dusty plasmas

    SciTech Connect (OSTI)

    Nebbat, E.; Annou, R.

    2012-09-15

    Vortices are an attractive expression of the non-linear dynamics of fluids along with plasmas. In complex plasmas, Nebbat and Annou [Phys. Plasmas 17, 093702 (2010)] proposed a time dependent non-linear model that considers vortices as a consequence of an instability. The model is augmented hereafter by incorporating the gravitational grain-grain attraction, particle drift due to self-gravity field, self-consistent inter-particle distance, the permeability of grains along with the grain charge excess due to the non-linear dependence of the grain capacitance on its size. Effects of the latter parameters as well as the effect of grain mass to charge ratio on the characteristics of the vortex such as density are investigated.

  7. Enhanced Solar Energy Absorption by Internally-mixed Black Carbon in Snow Grains

    SciTech Connect (OSTI)

    Flanner, M. G.; Liu, Xiaohong; Zhou, Cheng; Penner, Joyce E.; Jiao, C.

    2012-05-30

    Here we explore light absorption by snowpack containing black carbon (BC) particles residing within ice grains. Basic considerations of particle volumes and BC/snow mass concentrations show that there are generally 0:05-109 BC particles for each ice grain. This suggests that internal BC is likely distributed as multiple inclusions within ice grains, and thus the dynamic effective medium approximation (DEMA) (Chylek and Srivastava, 1983) is a more appropriate optical representation for BC/ice composites than coated-sphere or standard mixing approximations. DEMA calculations show that the 460 nm absorption cross-section of BC/ice composites, normalized to the mass of BC, is typically enhanced by factors of 1.8-2.1 relative to interstitial BC. BC effective radius is the dominant cause of variation in this enhancement, compared with ice grain size and BC volume fraction. We apply two atmospheric aerosol models that simulate interstitial and within-hydrometeor BC lifecycles. Although only {approx}2% of the atmospheric BC burden is cloud-borne, 71-83% of the BC deposited to global snow and sea-ice surfaces occurs within hydrometeors. Key processes responsible for within-snow BC deposition are development of hydrophilic coatings on BC, activation of liquid droplets, and subsequent snow formation through riming or ice nucleation by other species and aggregation/accretion of ice particles. Applying deposition fields from these aerosol models in offline snow and sea-ice simulations, we calculate that 32-73% of BC in global surface snow resides within ice grains. This fraction is smaller than the within-hydrometeor deposition fraction because meltwater flux preferentially removes internal BC, while sublimation and freezing within snowpack expose internal BC. Incorporating the DEMA into a global climate model, we simulate increases in BC/snow radiative forcing of 43-86%, relative to scenarios that apply external optical properties to all BC. We show that snow metamorphism

  8. Method of making fine-grained triaminotrinitrobenzene

    DOE Patents [OSTI]

    Benziger, Theodore M.

    1984-01-01

    A method of forming a fine-grained species of the insensitive high explosive sym-triaminotrinitrobenzene (TATB) without grinding. In accordance with the method, 1,3,5-trichloro-2,4,6-trinitrobenzene (TCTNB) is aminated by reaction with gaseous ammonia in an emulsion of toluene in water. The ratio of water to toluene in the emulsion is selected so that toluene is the dispersed phase in the emulsion. The size of the dispersed TCTNB-containing toluene droplets determines the particle size of the resulting TATB. The emulsion is preferably formed with an emulsifier such as ammonium oleate, which may be generated in situ from oleic acid, and stabilized with a protective colloid such as polyvinyl alcohol.

  9. Method of making fine-grained triaminotrinitrobenzene

    DOE Patents [OSTI]

    Benziger, T.M.

    1983-07-26

    A method is given for forming a fine-grained species of the insensitive high explosive sym-triaminotrinitrobenzene (TATB) without grinding. In accordance with the method, 1,3,5-trichloro-2,4,6-trinitrobenzene (TCTNB) is aminated by reaction with gaseous ammonia in an emulsion of toluene in water. The ratio of water to toluene in the emulsion is selected so that toluene is the dispersed phase in the emulsion. The size of the dispersed TCTNB-containing toluene droplets determines the particle size of the resulting TATB. The emulsion is preferably formed with an emulsifier such as ammonium oleate, which may be generated in situ from oleic acid, and stabilized with a protective colloid such as polyvinyl alcohol.

  10. Experiences in Large Grain-Single Crystal Cavity Fabrication

    SciTech Connect (OSTI)

    Pekeler, Michael; Schwellenbach, Johannes; Tradt, Marco

    2007-08-09

    At ACCEL instruments several single cell and 9-cell cavities have been produced out of large grain niobium sheets from different suppliers. The fabrication experience and difference to the production out of fine grain niobium sheets will be described. In addition two cavities were produced using single crystal niobium sheets. The final cavities showed no grain boundaries at all in the cavity cell, even not in the electron beam welding seam.

  11. New Process for Grain Refinement of Aluminum. Final Report

    SciTech Connect (OSTI)

    Dr. Joseph A. Megy

    2000-09-22

    A new method of grain refining aluminum involving in-situ formation of boride nuclei in molten aluminum just prior to casting has been developed in the subject DOE program over the last thirty months by a team consisting of JDC, Inc., Alcoa Technical Center, GRAS, Inc., Touchstone Labs, and GKS Engineering Services. The Manufacturing process to make boron trichloride for grain refining is much simpler than preparing conventional grain refiners, with attendant environmental, capital, and energy savings. The manufacture of boride grain refining nuclei using the fy-Gem process avoids clusters, salt and oxide inclusions that cause quality problems in aluminum today.

  12. Numerical Simulation of Ni Grain Growth in a Thermal Gradient

    Office of Scientific and Technical Information (OSTI)

    665C Numerical Simulation of Ni Grain Growth in a Thermal Gradient Sandia National Laboratories John A. Mitchell and Veena Tikare Sandia National Laboratories, Albuquerque New ...

  13. Magnetoresistance of polycrystalline gadolinium with varying grain size

    SciTech Connect (OSTI)

    Chakravorty, Manotosh Raychaudhuri, A. K.

    2015-01-21

    In this paper, we report a study of evolution of low field magnetoresistance (MR) of Gadolinium as the grain size in the sample is changed from few microns (∼4 μm) to the nanoscopic regime (∼35 nm). The low field MR has a clear effect on varying grain size. In large grain sample (few μm), the magnetic domains are controlled by local anisotropy field determined mainly by the magnetocrystalline anisotropy. The low field MR clearly reflects the temperature dependence of the magnetocrystalline anisotropy. For decreasing gain size, the contribution of spin disorder at the grain boundary increases and enhances the local anisotropy field.

  14. Coarse-grained Energy Modeling of Rollback/Recovery Mechanisms...

    Office of Scientific and Technical Information (OSTI)

    Title: Coarse-grained Energy Modeling of RollbackRecovery Mechanisms. Abstract not provided. Authors: Ferreira, Kurt Brian ; Ibtesham, Dewan ; DeBonis, David ; Arnold, Dorian ...

  15. Interactions between Grain Rotation and Local Deformation. (Conference...

    Office of Scientific and Technical Information (OSTI)

    Title: Interactions between Grain Rotation and Local Deformation. Abstract not provided. Authors: Carroll, Jay ; Lim, Hojun ; Boyce, Brad Lee ; Battaile, Corbett Chandler. ; ...

  16. [Perovskite and Fluorite Grain Boundary Properties]. Final Project Report

    SciTech Connect (OSTI)

    Browning, N. D.

    2004-02-24

    One of the main areas of research in the last two years in this program has been the properties of grain boundaries in perovskite and fluorite structure materials.

  17. On the interaction of solutes with grain boundaries (Journal...

    Office of Scientific and Technical Information (OSTI)

    is considered by modeling solute atoms as misfitting inclusions within a disclination structural unit model describing the grain boundary structure and its intrinsic stress field. ...

  18. Resolving the grain boundary and lattice impedance of hot-pressed Li7La3Zr2O12 garnet electrolytes

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

    Tenhaeff, Wyatt E.; Wang, Yangyang; Sokolov, Alexei P.; Wolfenstine, Jeff; Sakamoto, Jeffrey; Dudney, Nancy J.; Rangasamy, Ezhiyl

    2013-07-24

    Here, the cubic-stabilized garnet solid electrolyte with a nominal composition of Li6.28Al0.24La3Zr2O12 is thoroughly characterized by impedance spectroscopy. By varying the frequency of the applied AC signal over 11 orders of magnitude for characterizations from –100 to +60 °C, the relative contributions of grain and grain boundary conduction are unambiguously resolved.

  19. Method of aeration disinfecting and drying grain in bulk and pretreating seeds and a transverse blow silo grain dryer therefor

    DOE Patents [OSTI]

    Danchenko, Vitaliy G.; Noyes, Ronald T.; Potapovych, Larysa P.

    2012-02-28

    Aeration drying and disinfecting grain crops in bulk and pretreating seeds includes passing through a bulk of grain crops and seeds disinfecting and drying agents including an ozone and air mixture and surrounding air, subdividing the disinfecting and drying agents into a plurality of streams spaced from one another in a vertical direction, and passing the streams at different heights through levels located at corresponding heights of the bulk of grain crops and seeds transversely in a substantially horizontal direction.

  20. Stress-dependent grain size evolution of nanocrystalline Ni-W and its impact on friction behavior

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

    Argibay, N.; Furnish, T. A.; Boyce, B. L.; Clark, B. G.; Chandross, M.

    2016-06-07

    The friction behavior of ultra-nanocrystalline Ni-W coatings was investigated. A critical stress threshold was identified below which friction remained low, and above which a time-dependent evolution toward higher friction behavior occurred. Founded on established plasticity models we propose a correlation between surface grain size and applied stress that can be used to predict the critical stress separating the two friction regimes. Lastly, this interpretation of plasticity models suggests that macro-scale low and high friction regimes are respectively associated with the nano-scale mechanisms of grain boundary and dislocation-mediated plasticity.

  1. Mechanical properties of granular materials: A variational approach to grain-scale simulations

    SciTech Connect (OSTI)

    Holtzman, R.; Silin, D.B.; Patzek, T.W.

    2009-01-15

    The mechanical properties of cohesionless granular materials are evaluated from grain-scale simulations. A three-dimensional pack of spherical grains is loaded by incremental displacements of its boundaries. The deformation is described as a sequence of equilibrium configurations. Each configuration is characterized by a minimum of the total potential energy. This minimum is computed using a modification of the conjugate gradient algorithm. Our simulations capture the nonlinear, path-dependent behavior of granular materials observed in experiments. Micromechanical analysis provides valuable insight into phenomena such as hysteresis, strain hardening and stress-induced anisotropy. Estimates of the effective bulk modulus, obtained with no adjustment of material parameters, are in agreement with published experimental data. The model is applied to evaluate the effects of hydrate dissociation in marine sediments. Weakening of the sediment is quantified as a reduction in the effective elastic moduli.

  2. Irradiation Assisted Grain Boundary Segregation in Steels

    SciTech Connect (OSTI)

    Lu, Zheng; Faulkner, Roy G.

    2008-07-01

    The understanding of radiation-induced grain boundary segregation (RIS) has considerably improved over the past decade. New models have been introduced and much effort has been devoted to obtaining comprehensive information on segregation from the literature. Analytical techniques have also improved so that chemical analysis of layers 1 nm thick is almost routine. This invited paper will review the major methods used currently for RIS prediction: namely, Rate Theory, Inverse Kirkendall, and Solute Drag approaches. A summary is made of the available data on phosphorus RIS in reactor pressure vessel (RPV) steels. This will be discussed in the light of the predictions of the various models in an effort to show which models are the most reliable and easy to use for forecasting P segregation behaviour in steels. A consequence of RIS in RPV steels is a radiation induced shift in the ductile to brittle transition temperature (DBTT). It will be shown how it is possible to relate radiation-induced P segregation levels to DBTT shift. Examples of this exercise will be given for RPV steels and for ferritic steels being considered for first wall fusion applications. Cr RIS in high alloy stainless steels and associated irradiation-assisted stress corrosion cracking (IASCC) will be briefly discussed. (authors)

  3. Cast Stainless Steel Ferrite and Grain Structure

    SciTech Connect (OSTI)

    Ruud, Clayton O.; Ramuhalli, Pradeep; Meyer, Ryan M.; Mathews, Royce; Diaz, Aaron A.; Anderson, Michael T.

    2012-09-01

    In-service inspection requirements dictate that piping welds in the primary pressure boundary of light-water reactors be subject to a volumetric examination based on the rules contained within the American Society of Mechanical Engineers Boiler and Pressure Vessel Code, Section XI. The purpose of the inspection is the reliable detection and accurate sizing of service-induced degradation and/or material flaws introduced during fabrication. The volumetric inspection is usually carried out using ultrasonic testing (UT) methods. However, the varied metallurgical macrostructures and microstructures of cast austenitic stainless steel piping and fittings, including statically cast stainless steel and centrifugally cast stainless steel (CCSS), introduce significant variations in the propagation and attenuation of ultrasonic energy. These variations complicate interpretation of the UT responses and may compromise the reliability of UT inspection. A review of the literature indicated that a correlation may exist between the microstructure and the delta ferrite content of the casting alloy. This paper discusses the results of a recent study where the goal was to determine if a correlation existed between measured and/or calculated ferrite content and grain structure in CCSS pipe.

  4. Science at the interface : grain boundaries in nanocrystalline metals.

    SciTech Connect (OSTI)

    Rodriguez, Mark Andrew; Follstaedt, David Martin; Knapp, James Arthur; Brewer, Luke N.; Holm, Elizabeth Ann; Foiles, Stephen Martin; Hattar, Khalid M.; Clark, Blythe B.; Olmsted, David L.; Medlin, Douglas L.

    2009-09-01

    Interfaces are a critical determinant of the full range of materials properties, especially at the nanoscale. Computational and experimental methods developed a comprehensive understanding of nanograin evolution based on a fundamental understanding of internal interfaces in nanocrystalline nickel. It has recently been shown that nanocrystals with a bi-modal grain-size distribution possess a unique combination of high-strength, ductility and wear-resistance. We performed a combined experimental and theoretical investigation of the structure and motion of internal interfaces in nanograined metal and the resulting grain evolution. The properties of grain boundaries are computed for an unprecedented range of boundaries. The presence of roughening transitions in grain boundaries is explored and related to dramatic changes in boundary mobility. Experimental observations show that abnormal grain growth in nanograined materials is unlike conventional scale material in both the level of defects and the formation of unfavored phases. Molecular dynamics simulations address the origins of some of these phenomena.

  5. Applied Optoelectronics | Open Energy Information

    Open Energy Info (EERE)

    optical semiconductor devices, packaged optical components, optical subsystems, laser transmitters, and fiber optic transceivers. References: Applied Optoelectronics1...

  6. Apply

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

    Unofficial transcripts are acceptable. If transcripts are not in English, provide a translation. If grades are not in the U.S.-traditional lettered (A,B,C), or GPA (out of 4.0)...

  7. A coarse-grained model for PETN crystals

    SciTech Connect (OSTI)

    Gee, R; Wu, C; Maiti, A

    2006-02-10

    Using the energetic material Pentaerythritol Tetranitrate (PETN) as a specific example of molecular crystal, we describe the development of a simple coarse-graining procedure by grouping several atoms or whole functional groups into single charge-neutral beads. As compared to fully atomistic calculations the coarse-grained model speeds up simulations by more than two orders of magnitude. Yet, by adjusting only two parameters in the coarse-grained interaction, the model accurately predicts the lattice constants, sublimation energy, pressure-volume curve up to P=10 GPa, and energetically the most stable facets. Computed surface and desorption energies, bulk modulus, and equilibrium morphology are reported as well.

  8. Manufacturing process to reduce large grain growth in zirconium alloys

    DOE Patents [OSTI]

    Rosecrans, P.M.

    1984-08-01

    It is an object of the present invention to provide a procedure for desensitizing zirconium-based alloys to large grain growth (LGG) during thermal treatment above the recrystallization temperature of the alloy. It is a further object of the present invention to provide a method for treating zirconium-based alloys which have been cold-worked in the range of 2 to 8% strain to reduce large grain growth. It is another object of the present invention to provide a method for fabricating a zirconium alloy clad nuclear fuel element wherein the zirconium clad is resistant to large grain growth.

  9. The influence of aluminum grain size on alumina nanoporous structure

    SciTech Connect (OSTI)

    Feil, A. F.; Costa, M. V. da; Amaral, L.; Teixeira, S. R.; Migowski, P.; Dupont, J.; Machado, G.; Peripolli, S. B.

    2010-01-15

    An approach to control the interpore distances and nanopore diameters of 150-nm-thick thin aluminum films is reported here. The Al thin films were grown by sputtering on p-type silicon substrate and anodized with a conventional anodization process in a phosphoric acid solution. It was found that interpore distance and pore diameter are related to the aluminum grain size and can be controlled by annealing. The grain contours limit the sizes of alumina cells. This mechanism is valid for grain sizes supporting only one alumina cell and consequently only one pore.

  10. Microwave sintering of nanophase ceramics without concomitant grain growth

    DOE Patents [OSTI]

    Eastman, Jeffrey A.; Sickafus, Kurt E.; Katz, Joel D.

    1993-01-01

    A method of sintering nanocrystalline material is disclosed wherein the nanocrystalline material is microwaved to heat the material to a temperature less than about 70% of the melting point of the nanocrystalline material expressed in degrees K. This method produces sintered nanocrystalline material having a density greater than about 95% of theoretical and an average grain size not more than about 3 times the average grain size of the nanocrystalline material before sintering. Rutile TiO.sub.2 as well as various other ceramics have been prepared. Grain growth of as little as 1.67 times has resulted with densities of about 90% of theoretical.

  11. LUNAR DUST GRAIN CHARGING BY ELECTRON IMPACT: DEPENDENCE OF THE SURFACE POTENTIAL ON THE GRAIN SIZE

    SciTech Connect (OSTI)

    Nemecek, Z.; Pavlu, J.; Safrankova, J.; Beranek, M.; Richterova, I.; Vaverka, J.; Mann, I.

    2011-09-01

    The secondary electron emission is believed to play an important role for the dust charging at and close to the lunar surface. However, our knowledge of emission properties of the dust results from model calculations and rather rare laboratory investigations. The present paper reports laboratory measurements of the surface potential on Lunar Highlands Type regolith simulants with sizes between 0.3 and 3 {mu}m in an electron beam with energy below 700 eV. This investigation is focused on a low-energy part, i.e., {<=}100 eV. We found that the equilibrium surface potential of this simulant does not depend on the grain size in our ranges of grain dimensions and the beam energies, however, it is a function of the primary electron beam energy. The measurements are confirmed by the results of the simulation model of the secondary emission from the spherical samples. Finally, we compare our results with those obtained in laboratory experiments as well as those inferred from in situ observations.

  12. Using phase information to enhance speckle noise reduction in the ultrasonic NDE of coarse grain materials

    SciTech Connect (OSTI)

    Lardner, Timothy; Gachagan, Anthony; Li, Minghui

    2014-02-18

    Materials with a coarse grain structure are becoming increasingly prevalent in industry due to their resilience to stress and corrosion. These materials are difficult to inspect with ultrasound because reflections from the grains lead to high noise levels which hinder the echoes of interest. Spatially Averaged Sub-Aperture Correlation Imaging (SASACI) is an advanced array beamforming technique that uses the cross-correlation between images from array sub-apertures to generate an image weighting matrix, in order to reduce noise levels. This paper presents a method inspired by SASACI to further improve imaging using phase information to refine focusing and reduce noise. A-scans from adjacent array elements are cross-correlated using both signal amplitude and phase to refine delay laws and minimize phase aberration. The phase-based and amplitude-based corrected images are used as inputs to a two-dimensional cross-correlation algorithm that will output a weighting matrix that can be applied to any conventional image. This approach was validated experimentally using a 5MHz array a coarse grained Inconel 625 step wedge, and compared to the Total Focusing Method (TFM). Initial results have seen SNR improvements of over 20dB compared to TFM, and a resolution that is much higher.

  13. Traction–separation relationships for hydrogen induced grain boundary embrittlement in nickel via molecular dynamics simulations

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

    Barrows, Wesley; Dingreville, Rémi; Spearot, Douglas

    2015-10-19

    A statistical approach combined with molecular dynamics simulations is used to study the influence of hydrogen on intergranular decohesion. This methodology is applied to a Ni Σ3(112)[11¯0] symmetric tilt grain boundary. Hydrogenated grain boundaries with different H concentrations are constructed using an energy minimization technique with initial H atom positions guided by Monte Carlo simulation results. Decohesion behavior is assessed through extraction of a traction–separation relationship during steady-state crack propagation in a statistically meaningful approach, building upon prior work employing atomistic cohesive zone volume elements (CZVEs). A sensitivity analysis is performed on the numerical approach used to extract the traction–separationmore » relationships, clarifying the role of CZVE size, threshold parameters necessary to differentiate elastic and decohesion responses, and the numerical averaging technique. Results show that increasing H coverage at the Ni Σ3(112)[11¯0] grain boundary asymmetrically influences the crack tip velocity during propagation, leads to a general decrease in the work of separation required for crack propagation, and provides a reduction in the peak stress in the extracted traction–separation relationship. Furthermore the present framework offers a meaningful vehicle to pass atomistically derived interfacial behavior to higher length scale formulations for intergranular fracture.« less

  14. Fabrication of fine-grain tantalum diffusion barrier tube for Nb{sub 3}Sn conductors

    SciTech Connect (OSTI)

    Hartwig, K. T.; Balachandran, S.; Mezyenski, R.; Seymour, N.; Robinson, J.; Barber, R. E.

    2014-01-27

    Diffusion barriers used in Nb{sub 3}Sn wire are often fabricated by wrapping Ta sheet into a tube with an overlap seam. A common result of such practice is non-uniform deformation in the Ta sheet as it thins by wire drawing because of non-uniform grain size and texture in the original Ta sheet. Seamless Ta tube with a fine-grain and uniform microstructure would be much better for the diffusion barrier application, but such material is expensive and difficult to manufacture. This report presents results on a new fabrication strategy for Ta tube that shows promise for manufacture of less costly tube with an improved microstructure. The fabrication method begins with seam-welded tube but gives a fine-grain uniform microstructure with little difference between the longitudinal seam weld region and the parent metal after post-weld processing. Severe plastic deformation processing (SPD) applied by area reduction extrusion and tube equal channel angular extrusion (tECAE) are used to refine and homogenize the microstructure. Microstructure and mechanical property results are presented for Ta tubes fabricated by this new processing strategy.

  15. Tractionseparation relationships for hydrogen induced grain boundary embrittlement in nickel via molecular dynamics simulations

    SciTech Connect (OSTI)

    Barrows, Wesley; Dingreville, Rmi; Spearot, Douglas

    2015-10-19

    A statistical approach combined with molecular dynamics simulations is used to study the influence of hydrogen on intergranular decohesion. This methodology is applied to a Ni ?3(112)[110] symmetric tilt grain boundary. Hydrogenated grain boundaries with different H concentrations are constructed using an energy minimization technique with initial H atom positions guided by Monte Carlo simulation results. Decohesion behavior is assessed through extraction of a tractionseparation relationship during steady-state crack propagation in a statistically meaningful approach, building upon prior work employing atomistic cohesive zone volume elements (CZVEs). A sensitivity analysis is performed on the numerical approach used to extract the tractionseparation relationships, clarifying the role of CZVE size, threshold parameters necessary to differentiate elastic and decohesion responses, and the numerical averaging technique. Results show that increasing H coverage at the Ni ?3(112)[110] grain boundary asymmetrically influences the crack tip velocity during propagation, leads to a general decrease in the work of separation required for crack propagation, and provides a reduction in the peak stress in the extracted tractionseparation relationship. Furthermore the present framework offers a meaningful vehicle to pass atomistically derived interfacial behavior to higher length scale formulations for intergranular fracture.

  16. Ultrafast visualization of crystallization and grain growth in shock-compressed SiO2

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

    Gleason, A. E.; Bolme, C. A.; Lee, H. J.; Nagler, B.; Galtier, E.; Milathianaki, D.; Hawreliak, J.; Kraus, R. G.; Eggert, J. H.; Fratanduono, D. E.; et al

    2015-09-04

    Pressure- and temperature-induced phase transitions have been studied for more than a century but very little is known about the non-equilibrium processes by which the atoms rearrange. Shock compression generates a nearly instantaneous propagating high-pressure/temperature condition while in situ X-ray diffraction (XRD) probes the time-dependent atomic arrangement. Here we present in situ pump–probe XRD measurements on shock-compressed fused silica, revealing an amorphous to crystalline high-pressure stishovite phase transition. Using the size broadening of the diffraction peaks, the growth of nanocrystalline stishovite grains is resolved on the nanosecond timescale just after shock compression. At applied pressures above 18 GPa the nuclueationmore » of stishovite appears to be kinetically limited to 1.4±0.4 ns. The functional form of this grain growth suggests homogeneous nucleation and attachment as the growth mechanism. As a result, these are the first observations of crystalline grain growth in the shock front between low- and high-pressure states via XRD.« less

  17. PHOTOELECTRIC CHARGING OF DUST GRAINS IN THE ENVIRONMENT OF YOUNG STELLAR OBJECTS

    SciTech Connect (OSTI)

    Pedersen, Andreas; Gomez de Castro, Ana I.

    2011-10-20

    The evolution of disks around young stellar objects (YSOs) is deeply affected by the YSOs' ultraviolet (UV) radiation field especially in the 500-1100 A spectral range. The two dominant processes are: the photodissociation of H{sub 2} molecules in the Werner and Lyman bands, and the emission of photoelectrons from dust grains when high energy photons are absorbed. Photoelectrons are an important source of gas heating. In this paper, dust grain charging when exposed to various possible UV fields in the YSOs' environment is investigated. Numerical simulations of the evolution of photoelectrons in the electric field created by the charged dust grains are carried out to obtain the charging profile of dust grains. From the simulations it appears that the different spectra produce significant quantitative and qualitative differences in the charging processes. Both the UV background and the Ae-Herbig star radiation field produce a relatively slow charging of dust grains due to the low fraction of sufficiently energetic photons. The radiation field of T Tauri stars (TTSs) is harder due to the release of magnetic energy in the dense magnetospheric environment. These numerical results have been used to propose a new simple analytical model for grain charging in the atmosphere of protostellar disks around TTSs susceptible to be used in any disk modeling. It has been found that the yield decreases exponentially with the dust charge and that two populations of photoelectrons are produced: a low energy population with mean kinetic energy E = 2.5 eV and a high energy population with E = 5.5-6 eV; the energy dispersion within the populations is {approx}1.3 eV (T {approx} 1.5 x 10{sup 4} K). The high energy population is susceptible of dissociating the H{sub 2} and ionizing some low ionization potential species, such as the Mg. These results add an additional role to dust on the chemistry of the layers just below the H{sub 2} photoionization front. This photoelectic yield has been

  18. Applied Materials | Argonne National Laboratory

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

    to apply the resulting insights to the design, synthesis, and testing of materials with improved properties and performance, including accident-tolerant and higher burn-up fuels. ...

  19. Applied Materials | Open Energy Information

    Open Energy Info (EERE)

    Jump to: navigation, search Name: Applied Materials Address: 3050 Bowers Avenue Place: Santa Clara, California Zip: 95054 Sector: Solar Website: www.appliedmaterials.com...

  20. Process for preparing fine grain silicon carbide powder

    DOE Patents [OSTI]

    Wei, G.C.

    Method of producing fine-grain silicon carbide powder comprises combining methyltrimethoxysilane with a solution of phenolic resin, acetone and water or sugar and water, gelling the resulting mixture, and then drying and heating the obtained gel.

  1. ACTIVATION ENERGY FOR GRAIN GROWTH IN BISMUTH COATINGS

    SciTech Connect (OSTI)

    Jankowski, A F; Hayes, J P; Smith, R F; Reed, B W; Kumar, M; Colvin, J D

    2005-09-09

    The knowledge of both activation energy and diffusion coefficient is needed for a predictive processing of grain size in coatings. However, for metals as Bismuth there is insufficient information available in the literature for these parameters. To determine these values, a method is adopted wherein an examination of the grain size is conducted for coatings deposited isothermally. The exponent for grain growth with time is determined, thereby enabling quantification of the activation energy and diffusion coefficient. Bismuth coatings that range from 10 {micro}m to 1 mm thick are deposited using electron-beam evaporation onto temperature-controlled substrate surfaces of glass and lithium fluoride. The grain size of each coating is measured upon examination of the microstructure in cross-section using the intercept method. Ideal grain growth is observed over the experimental range of deposition temperatures examined from 317 to 491 K. The activation energy (Q) for grain growth in bismuth is fit as 0.47 eV {center_dot} atom{sup -1} with a diffusion coefficient (D{sub 0}) of 3.3 x 10{sup -4} cm{sup 2} {center_dot} sec{sup -1}.

  2. Grain ethanol as a petroleum substitute: a perspective

    SciTech Connect (OSTI)

    Alston, T.G.

    1980-04-01

    Present tax exemptions for gasohol are more than sufficient to move ethanol into the gasoline market in a number of states. The principal near-term response to this profit opportunity, production of ethanol from feed grains, matches a limited biomass resource to an enormous market. This report estimates upper-bound prices for feed grains resulting from gasohol tax exemptions and concludes that grain price increases could be substantial. As shown else-where by Alston and Asbury, industrial uses constitute a more economical market for grain ethanol, one in which the product is now competitive with ethanol derived from petroleum and natural gas liquids. Without tax exemptions for gasohol, grain ethanol would now be displacing petroleum in the industrial market at a net economic gain, rather than in the fuel market at a net economic loss. The present analysis indicates that this industrial market for ethanol could grow significantly, principally by use of grain ethanol as an intermediate in production of chemicals now derived from petroleum and natural gas.

  3. Molecular dynamics simulations of grain boundaries in thin nanocrystalline silicon films

    SciTech Connect (OSTI)

    Berman, G.P.; Doolen, G.D.; Mainieri, R.; Campbell, D.K.; Luchnikov, V.A. |

    1997-10-01

    Using molecular dynamics simulations, the grain boundaries in thin polycrystalline silicon films (considered as promising material for future nanoelectronic devices) are investigated. It is shown that in polysilicon film with randomly oriented grains the majority of grain boundaries are disordered. However, some grains with small mutual orientation differences can form extended crystalline patterns. The structure of the grain boundaries satisfies the thermodynamical criterion. The majority of atoms in the grain boundaries are tetrahedrally coordinated with the nearest neighbors, even though the grain boundaries are disordered. The grain boundary matter is characterized as an amorphous phase with a characteristic tetragonality value.

  4. Strain induced grain boundary migration effects on grain growth of an austenitic stainless steel during static and metadynamic recrystallization

    SciTech Connect (OSTI)

    Paggi, A.; Angella, G.; Donnini, R.

    2015-09-15

    Static and metadynamic recrystallization of an AISI 304L austenitic stainless steel was investigated at 1100 °C and 10{sup −} {sup 2} s{sup −} {sup 1} strain rate. The kinetics of recrystallization was determined through double hit compression tests. Two strain levels were selected for the first compression hit: ε{sub f} = 0.15 for static recrystallization (SRX) and 0.25 for metadynamic recrystallization (MDRX). Both the as-deformed and the recrystallized microstructures were investigated through optical microscopy and electron back-scattered diffraction (EBSD) technique. During deformation, strain induced grain boundary migration appeared to be significant, producing a square-like grain boundary structure aligned along the directions of the maximum shear stresses in compression. EBSD analysis revealed to be as a fundamental technique that the dislocation density was distributed heterogeneously in the deformed grains. Grain growth driven by surface energy reduction was also investigated, finding that it was too slow to explain the experimental data. Based on microstructural results, it was concluded that saturation of the nucleation sites occurred in the first stages of recrystallization, while grain growth driven by strain induced grain boundary migration (SIGBM) dominated the subsequent stages. - Highlights: • Recrystallization behavior of a stainless steel was investigated at 1100 °C. • EBSD revealed that the dislocation density distribution was heterogeneous during deformation. • Saturation of nucleation sites occurred in the first stages of recrystallization. • Strain induced grain boundary migration (SIGBM) effects were significant. • Grain growth driven by SIGBM dominated the subsequent stages.

  5. Applied Sedimentology | Open Energy Information

    Open Energy Info (EERE)

    Sedimentology Jump to: navigation, search OpenEI Reference LibraryAdd to library Book: Applied Sedimentology Author R.C. Salley Published Academic Press, 2000 DOI Not Provided...

  6. Decoding the message from meteoritic stardust silicon carbide grains

    SciTech Connect (OSTI)

    Lewis, Karen M.; Lugaro, Maria; Gibson, Brad K.; Pilkington, Kate

    2014-05-02

    SiC mainstream grains are presolar grains believed to form in the envelopes of carbon rich asymptotic giant branch (AGB) stars with masses between 1.5 and 3 solar masses. These grains represent a conundrum as the {sup 29}Si and {sup 30}Si abundances indicate that they formed in stars of super-solar metallicity, before the solar system formed. To shed light on this problem, we use silicon isotopic abundances to derive an age-metallicity relation for the stars believed to have produced the SiC mainstream grains. For 2732 mainstream SiC grains listed in the Presolar Grain Database, we use the {sup 29}Si abundances with the latest galactic chemical evolution (GCE) models to derive [Fe/H], and {sup 30}Si abundances along with the models of Zinner et al. (2006) to determine an approximate birth age for the parent AGB star. Comparing our age-metallicity relation with observational relationships derived for nearby stars, we find that the spread of [Fe/H] is in agreement, but the mean [Fe/H] in our relation is higher by 0.2 dex. We propose that this difference is because stars with higher [Fe/H] produce more dust and thus are over-represented in our age metallicity diagram, a finding consistent with previous published works. This result offers a solution for the long-standing problem of silicon in Stardust SiC grains, confirms the necessity of coupling chemistry and dynamics in simulations of the chemical evolution of our Galaxy, and constrains the modelling of dust condensation in stellar winds as a function of the metallicity.

  7. ORISE: Applied health physics projects

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

    Applied health physics projects The Oak Ridge Institute for Science and Education (ORISE) provides applied health physics services to government agencies needing technical support for decommissioning projects. Whether the need is assistance with the development of technical basis documents or advice on how to identify, measure and assess the presence of radiological materials, ORISE can help determine the best course for an environmental cleanup project. Our key areas of expertise include fuel

  8. Information Science, Computing, Applied Math

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

    Information Science, Computing, Applied Math Information Science, Computing, Applied Math National security depends on science and technology. The United States relies on Los Alamos National Laboratory for the best of both. No place on Earth pursues a broader array of world-class scientific endeavors. Computer, Computational, and Statistical Sciences (CCS)» High Performance Computing (HPC)» Extreme Scale Computing, Co-design» supercomputing into the future Overview Los Alamos Asteroid Killer

  9. Physical Chemistry and Applied Spectroscopy

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

    PCS Physical Chemistry and Applied Spectroscopy We perform basic and applied research in support of the Laboratory's national security mission and serve a wide range of customers. Contact Us Group Leader Kirk Rector Deputy Group Leader Jeff Pietryga Group Office (505) 667-7121 Postdoctoral researcher Young-Shin Park characterizing emission spectra of LEDs in the Los Alamos National Laboratory optical laboratory. Postdoctoral researcher Young-Shin Park characterizing emission spectra of LEDs in

  10. CX-011566: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Mechanical Behavior of Uranium Oxide (UO2) at Sub-grain Length Scales: Quantification of Elastic, Plastic and Creep Properties via Microscale Testing CX(s) Applied: B3.6 Date: 11/18/2013 Location(s): Arizona Offices(s): Idaho Operations Office

  11. 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

  12. CRC handbook of applied thermodynamics

    SciTech Connect (OSTI)

    Palmer, D.A. . Research and Development Dept.)

    1987-01-01

    The emphasis of this book is on applied thermodynamics, featuring the stage of development of a process rather than the logical development of thermodynamic principles. It is organized according to the types of problems encountered in industry, such as probing research, process assessment, and process development. The applied principles presented can be used in most areas of industry including oil and gas production and processing, chemical processing, power generation, polymer production, food processing, synthetic fuels production, specialty chemicals and pharmaceuticals production, bioengineered processes, etc.

  13. Friction stir weld tools having fine grain structure

    DOE Patents [OSTI]

    Grant, Glenn J.; Frye, John G.; Kim, Jin Yong; Lavender, Curt A.; Weil, Kenneth Scott

    2016-03-15

    Tools for friction stir welding can be made with fewer process steps, lower cost techniques, and/or lower cost ingredients than other state-of-the-art processes by utilizing improved compositions and processes of fabrication. Furthermore, the tools resulting from the improved compositions and processes of fabrication can exhibit better distribution and homogeneity of chemical constituents, greater strength, and/or increased durability. In one example, a friction stir weld tool includes tungsten and rhenium and is characterized by carbide and oxide dispersoids, by carbide particulates, and by grains that comprise a solid solution of the tungsten and rhenium. The grains do not exceed 10 micrometers in diameter.

  14. Economic Viability of Brewery Spent Grain as a Biofuel

    SciTech Connect (OSTI)

    Morrow, Charles

    2016-01-01

    This report summarizes an investigation into the technical feasibility and economic viability of use grain wastes from the beer brewing process as fuel to generate the heat needed in subsequent brewing process. The study finds that while use of spent grain as a biofuel is technically feasible, the economics are not attractive. Economic viability is limited by the underuse of capital equipment. The investment in heating equipment requires a higher utilization that the client brewer currently anticipates. It may be possible in the future that changing factors may swing the decision to a more positive one.

  15. Continuous method for manufacturing grain-oriented magnetostrictive bodies

    DOE Patents [OSTI]

    Gibson, Edwin D.; Verhoeven, John D.; Schmidt, Frederick A.; McMasters, O. Dale

    1988-01-01

    The invention comprises a continuous casting and crystallization method for manufacturing grain-oriented magnetostrictive bodies. A magnetostrictive alloy is melted in a crucible having a bottom outlet. The melt is discharged through the bottom of the crucible and deposited in an elongated mold. Heat is removed from the deposited melt through the lower end portion of the mold to progressively solidify the melt. The solid-liquid interface of the melt moves directionally upwardly from the bottom to the top of the mold, to produce the axial grain orientation.

  16. FEA Simulations of Magnets with Grain Oriented Steel

    SciTech Connect (OSTI)

    Witte H.

    2012-08-06

    One of the potential successors of the Large Hadron Collider is a Muon Col- lider. Muons are short-lived particles, which therefore require fast acceleration. One potential avenue is a very fast cycling cyclotron, where the bending is sup- plied by a combination of fixed-field superconducting magnets and fast ramping normal conducting iron-cored coils. Due to the high ramping rate (around 1 kHz) eddy current and hysteresis losses are a concern. One way to overcome these is by using grain-oriented soft-iron, which promises superior magnetic properties in the direction of the grains. This note summarizes efforts to include the anisotropic material properties of grain-oriented steel in finite element analysis to predict the behaviour of the dipole magnets for this accelerator. It was found that including anisotropic material properties has a detrimental effect on model convergence. During this study it was not possible to include grain oriented steel with an accuracy necessary to study the field quality of a dipole magnet.

  17. Manufacturing process to reduce large grain growth in zirconium alloys

    DOE Patents [OSTI]

    Rosecrans, Peter M.

    1987-01-01

    A method of treating cold-worked zirconium alloys to reduce large grain gth during thermal treatment at temperatures above the recrystallization temperature of the alloy comprising heating the cold-worked alloy between about 1300.degree.-1350.degree. F. for 1 to 3 hours prior to treatment above its recrystallization temperature.

  18. Microwave sintering of sol-gel derived abrasive grain

    DOE Patents [OSTI]

    Plovnick, Ross; Celikkaya, Ahmet; Blake, Rodger D.

    1997-01-01

    A method is provided for making microwave-sintered, free flowing alpha alumina-based ceramic abrasive grain, under conditions effective to couple microwaves with calcined alpha alumina-based abrasive gain precursor and sinter it at a temperature of at least about 1150.degree. C.

  19. Optical method for the determination of grain orientation in films

    DOE Patents [OSTI]

    Maris, Humphrey J.

    2001-01-01

    A method for the determination of grain orientation in a film sample is provided comprising the steps of measuring a first transient optical response of the film and determining the contribution to the transient optical response arising from a change in the energy distribution of the electrons in the sample, determining the contribution to the transient optical response arising from a propagating strain pulse within the sample, and determining the contribution to the transient optical response arising from a change in sample temperature of the sample. The grain orientation of the sample may be determined using the contributions to the transient optical response arising from the change in the energy distribution of the electrons, the propagating strain pulse, and the change in sample temperature. Additionally, a method for determination of the thickness of a film sample is provided. The grain orientation of the sample is first determined. The grain orientation, together with the velocity of sound and a propagation time of a strain pulse through the sample are then used to determine the thickness of the film sample.

  20. Optical method for the determination of grain orientation in films

    DOE Patents [OSTI]

    Maris, Humphrey J.

    2003-05-13

    A method for the determination of grain orientation in a film sample is provided comprising the steps of measuring a first transient optical response of the film and determining the contribution to the transient optical response arising from a change in the energy distribution of the electrons in the sample, determining the contribution to the transient optical response arising from a propagating strain pulse within the sample, and determining the contribution to the transient optical response arising from a change in sample temperature of the sample. The grain orientation of the sample may be determined using the contributions to the transient optical response arising from the change in the energy distribution of the electrons, the propagating strain pulse, and the change in sample temperature. Additionally, a method for determination of the thickness of a film sample is provided. The grain orientation of the sample is first determined. The grain orientation, together with the velocity of sound and a propagation time of a strain pulse through the sample are then used to determine the thickness of the film sample.

  1. Applied Mathematics and Plasma Physics

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

    5 Applied Mathematics and Plasma Physics Maintaining mathematic, theory, modeling, and simulation capabilities in a broad set of areas Leadership Group Leader Pieter Swart Email Deputy Group Leader (Acting) Luis Chacon Email Contact Us Administrator Charlotte Lehman Email Electron density simulation Electron density from an orbital-free quantum molecular dynamics simulation for a warm dense plasma of deuterium at density 10 g/cc and temperature 10 eV. Mathematical, theory, modeling, and

  2. Summer of Applied Geophysical Experience

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

    Summer of Applied Geophysical Experience (SAGE) 2016 - Our 34 rd Year! SAGE is a 3-4 week research and education program in exploration geophysics for graduate, undergraduate students, and working professionals based in Santa Fe, NM, U.S.A. Application deadline March 27, 2016, 5:00pm MDT SAGE students, faculty, teaching assistants, and visiting scientists acquire, process and interpret reflection/refraction seismic, magnetotelluric (MT)/electromagnetic (EM), ground penetrating radar (GPR),

  3. Surface and grain boundary segregation, stress corrosion cracking, and corrosion fatigue of Inconel 600

    SciTech Connect (OSTI)

    Smialowska, S.; Cragnolino, G.; Macdonald, D.D.

    1985-03-01

    The stress corrosion cracking of Inconel 600 in environments related to nuclear power systems was studied in relation to the role of segregation in the alloy. Auger electron spectroscopy was used to evaluate the surface segregation of different impurities in Inconel 600 as a function of heat-to-heat variation and heat treatment. The degree of segregation of various elements (S, P, N, Ti, Si, and C) on the fracture surface of nickel was also evaluated as a function of the heat treatment employed, temperature, and cooling rate. The effects of alloying elements, added to nickel with the aim of reducing sulfur segregation to grain boundaries, was also studied. The susceptibility of nickel to intergranular corrosion in acidic and alkaline solutions at different potentials was measured as a function of sulfur segregation to the grain boundaries. The effect of heat treatment and applied potential on the caustic stress corrosion cracking susceptibiliy of Inconel 600 was studied in concentrated NaOH solutions at 140/sup 0/C using the slow strain rate technique. The corrosion fatigue resistance of Inconel Alloy 600 in concentrated NaOH solutions at 140/sup 0/C was evaluated as a function of heat treatment conditions using smooth bar specimens. The results have shown that the stress corrosion behavior of Inconel 600 in caustic solutions differs greatly from that in acidic and nearly neutral environments. Furthermore, sensitization by heat treatment was found to be beneficial under caustic corrosion conditions but detrimental in acidic environments.

  4. Influence of Aluminum Content on Grain Refinement and Strength of AZ31 Magnesium GTA Weld Metal

    SciTech Connect (OSTI)

    Babu, N. Kishore; Cross, Carl E.

    2012-06-28

    The goal is to characterize the effect of Al content on AZ31 weld metal, the grain size and strength, and examine role of Al on grain refinement. The approach is to systematically vary the aluminum content of AZ31 weld metal, Measure average grain size in weld metal, and Measure cross-weld tensile properties and hardness. Conclusions are that: (1) increased Al content in AZ31 weld metal results in grain refinement Reason: higher undercooling during solidification; (2) weld metal grain refinement resulted in increased strength & hardness Reason: grain boundary strengthening; and (3) weld metal strength can be raised to wrought base metal levels.

  5. International combustion engines; Applied thermosciences

    SciTech Connect (OSTI)

    Ferguson, C.R.

    1985-01-01

    Focusing on thermodynamic analysis - from the requisite first law to more sophisticated applications - and engine design, this book is an introduction to internal combustion engines and their mechanics. It covers the many types of internal combustion engines, including spark ignition, compression ignition, and stratified charge engines, and examines processes, keeping equations of state simple by assuming constant specific heats. Equations are limited to heat engines and later applied to combustion engines. Topics include realistic equations of state, stroichiometry, predictions of chemical equilibrium, engine performance criteria, and friction, which is discussed in terms of the hydrodynamic theory of lubrication and experimental methods such as dimensional analysis.

  6. Tension-compression-tension tertiary twins in coarse-grained polycrystalline pure magnesium at room temperature

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

    Yu, Qin; Jiang, Yanyao; Wang, Jian

    2015-04-07

    Using electron backscatter diffraction, the microstructural features of tension–compression–tension (T–C–T) tertiary twins are studied in coarse-grained pure polycrystalline magnesium subjected to monotonic compression along the extrusion direction in ambient air. T–C–T tertiary twins are developed due to the formation of a compression–tension double twin inside a primary tension twin. All the observed T–C–T twin variants are of TiCjTj type. TiCi+1Ti+1 (or TiCi–1Ti–1) variants are observed more frequently than TiCi+2Ti+2 (or TiCi–2Ti–2) variants. Moreover, the number of tertiary twin lamellae increases with the applied compressive strain.

  7. Virtual ultrasound sources for inspecting nuclear components of coarse-grained structure

    SciTech Connect (OSTI)

    Brizuela, J.; Katchadjian, P.; Desimone, C.; Garcia, A.

    2014-02-18

    This work describes an ultrasonic inspection procedure designed for verifying coarse-grained structure materials, which are commonly used on nuclear reactors. In this case, conventional phased array techniques cannot be used due to attenuating characteristics and backscattered noise from microstructures inside the material. Thus, synthetic aperture ultrasonic imaging (SAFT) is used for this approach in contact conditions. In order to increase energy transferred to the medium, synthetic transmit aperture is formed by several elements which generate a diverging wavefront equivalent to a virtual ultrasound source behind the transducer. On the other hand, the phase coherence technique has been applied to reduce more structural noise and improve the image quality. The beamforming process has been implemented over a GPU platform to reduce computing time.

  8. Ellipsometry characterization of polycrystalline ZnO layers with the modeling of carrier concentration gradient: Effects of grain boundary, humidity, and surface texture

    SciTech Connect (OSTI)

    Sago, Keisuke; Fujiwara, Hiroyuki; Kuramochi, Hideto; Iigusa, Hitoshi; Utsumi, Kentaro

    2014-04-07

    Spectroscopic ellipsometry (SE) has been applied to study the effects of grain boundary, humidity, and surface texture on the carrier transport properties of Al-doped ZnO layers fabricated by dc and rf magnetron sputtering. In the SE analysis, the variation in the free carrier absorption toward the growth direction, induced by the ZnO grain growth on foreign substrates, has been modeled explicitly by adopting a multilayer model in which the optical carrier concentration (N{sub opt}) varies continuously with a constant optical mobility (?{sub opt}). The effect of the grain boundary has been studied by comparing ?{sub opt} with Hall mobility (?{sub Hall}). The change in ?{sub Hall}/?{sub opt} indicates a sharp structural transition of the ZnO polycrystalline layer at a thickness of d???500?nm, which correlates very well with the structure confirmed by transmission electron microscopy. In particular, below the transition thickness, the formation of the high density grain boundary leads to the reduction in the ?{sub Hall}/?{sub opt} ratio as well as N{sub opt}. As a result, we find that the thickness dependence of the carrier transport properties is almost completely governed by the grain boundary formation. On the other hand, when the ZnO layer is exposed to wet air at 85?C, ?{sub Hall} reduces drastically with a minor variation of ?{sub opt} due to the enhanced grain boundary scattering. We have also characterized textured ZnO:Al layers prepared by HCl wet etching by SE. The analysis revealed that the near-surface carrier concentration increases slightly after the etching. We demonstrate that the SE technique can be applied to distinguish various rough textured structures (size???1??m) of the ZnO layers prepared by the HCl etching.

  9. Detecting rare, abnormally large grains by x-ray diffraction

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

    Detecting rare, abnormally large grains by x-ray diffraction - 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

  10. Charge Transport Anisotropy Due to Grain Boundaries in Directionally

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

    Crystallized Thin Films of Regio-Regular Poly(3-hexylthiophene) Charge Transport Anisotropy Due to Grain Boundaries in Directionally Crystallized Thin Films of Regio-Regular Poly(3-hexylthiophene) Semicrystalline polymers, such as polythiophenes, hold much promise as active layers in printable electronic devices such as photovoltaic cells, sensors, and thin film transistors. As organic semiconductors approach commercialization, there is a need to better understand the relationship between

  11. Grain boundary energy in 5 degrees of freedom space

    Energy Science and Technology Software Center (OSTI)

    2012-09-21

    GB5DOF is a program written in MatLab for computing excess energy of an arbitrary grain boundary defined by its 5 geometrical degrees of freedom. The program is written in the form of a single self-contained function callable from within commercially available MatLab software package. The function takes a geometric description of the boundary and material identity as input parameters and returns the predicted boundary energy.

  12. Intergranular degradation assessment via random grain boundary network analysis

    DOE Patents [OSTI]

    Kumar, Mukul; Schwartz, Adam J.; King, Wayne E.

    2002-01-01

    A method is disclosed for determining the resistance of polycrystalline materials to intergranular degradation or failure (IGDF), by analyzing the random grain boundary network connectivity (RGBNC) microstructure. Analysis of the disruption of the RGBNC microstructure may be assess the effectiveness of materials processing in increasing IGDF resistance. Comparison of the RGBNC microstructures of materials exposed to extreme operating conditions to unexposed materials may be used to diagnose and predict possible onset of material failure due to

  13. Physics of grain boundaries in polycrystalline photovoltaic semiconductors

    SciTech Connect (OSTI)

    Yan, Yanfa Yin, Wan-Jian; Wu, Yelong; Shi, Tingting; Paudel, Naba R.; Li, Chen; Poplawsky, Jonathan; Wang, Zhiwei; Moseley, John; Guthrey, Harvey; Moutinho, Helio; Al-Jassim, Mowafak M.; Pennycook, Stephen J.

    2015-03-21

    Thin-film solar cells based on polycrystalline Cu(In,Ga)Se{sub 2} (CIGS) and CdTe photovoltaic semiconductors have reached remarkable laboratory efficiencies. It is surprising that these thin-film polycrystalline solar cells can reach such high efficiencies despite containing a high density of grain boundaries (GBs), which would seem likely to be nonradiative recombination centers for photo-generated carriers. In this paper, we review our atomistic theoretical understanding of the physics of grain boundaries in CIGS and CdTe absorbers. We show that intrinsic GBs with dislocation cores exhibit deep gap states in both CIGS and CdTe. However, in each solar cell device, the GBs can be chemically modified to improve their photovoltaic properties. In CIGS cells, GBs are found to be Cu-rich and contain O impurities. Density-functional theory calculations reveal that such chemical changes within GBs can remove most of the unwanted gap states. In CdTe cells, GBs are found to contain a high concentration of Cl atoms. Cl atoms donate electrons, creating n-type GBs between p-type CdTe grains, forming local p-n-p junctions along GBs. This leads to enhanced current collections. Therefore, chemical modification of GBs allows for high efficiency polycrystalline CIGS and CdTe thin-film solar cells.

  14. High capacitance of coarse-grained carbide derived carbon electrodes

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

    Dyatkin, Boris; Gogotsi, Oleksiy; Malinovskiy, Bohdan; Zozulya, Yuliya; Simon, Patrice; Gogotsi, Yury

    2016-01-01

    Here, we report exceptional electrochemical properties of supercapacitor electrodes composed of large, granular carbide-derived carbon (CDC) particles. We synthesized 70–250 μm sized particles with high surface area and a narrow pore size distribution, using a titanium carbide (TiC) precursor. Electrochemical cycling of these coarse-grained powders defied conventional wisdom that a small particle size is strictly required for supercapacitor electrodes and allowed high charge storage densities, rapid transport, and good rate handling ability. Moreover, the material showcased capacitance above 100 F g-1 at sweep rates as high as 250 mV s-1 in organic electrolyte. 250–1000 micron thick dense CDC films withmore » up to 80 mg cm-2 loading showed superior areal capacitances. The material significantly outperformed its activated carbon counterpart in organic electrolytes and ionic liquids. Furthermore, large internal/external surface ratio of coarse-grained carbons allowed the resulting electrodes to maintain high electrochemical stability up to 3.1 V in ionic liquid electrolyte. In addition to presenting novel insights into the electrosorption process, these coarse-grained carbons offer a pathway to low-cost, high-performance implementation of supercapacitors in automotive and grid-storage applications.« less

  15. Drying grain using a hydrothermally treated liquid lignite fuel

    SciTech Connect (OSTI)

    Bukurov, Z.; Cvijanovic, P.; Bukurov, M.; Ljubicic, B.R.

    1995-12-01

    A shortage of domestic oil and natural gas resources in Yugoslavia, particularly for agricultural and industrial purposes, has motivated the authors to explore the possibility of using liquid lignite as an alternate fuel for drying grain. This paper presents a technical and economic assessment of the possibility of retrofitting grain-drying plants currently fueled by oil or natural gas to liquid lignite fuel. All estimates are based on lignite taken from the Kovin deposit. Proposed technology includes underwater mining techniques, aqueous ash removal, hydrothermal processing, solids concentration, pipeline transport up to 120 km, and liquid lignite direct combustion. For the characterization of Kovin lignite, standard ASTM procedures were used: proximate, ultimate, ash, heating value, and Theological analyses were performed. Results from an extensive economic analysis indicate a delivered cost of US$20/ton for the liquid lignite. For the 70 of the grain-drying plants in the province of Vojvodina, this would mean a total yearly saving of about US $2,500,000. The advantages of this concept are obvious: easy to transport and store, nonflammable, nonexplosive, nontoxic, 30%-40% cheaper than imported oil and gas, domestic fuel is at hand. The authors believe that liquid lignite, rather than an alternative, is becoming more and more an imperative.

  16. High capacitance of coarse-grained carbide derived carbon electrodes

    SciTech Connect (OSTI)

    Dyatkin, Boris; Gogotsi, Oleksiy; Malinovskiy, Bohdan; Zozulya, Yuliya; Simon, Patrice; Gogotsi, Yury

    2016-01-01

    Here, we report exceptional electrochemical properties of supercapacitor electrodes composed of large, granular carbide-derived carbon (CDC) particles. We synthesized 70–250 μm sized particles with high surface area and a narrow pore size distribution, using a titanium carbide (TiC) precursor. Electrochemical cycling of these coarse-grained powders defied conventional wisdom that a small particle size is strictly required for supercapacitor electrodes and allowed high charge storage densities, rapid transport, and good rate handling ability. Moreover, the material showcased capacitance above 100 F g-1 at sweep rates as high as 250 mV s-1 in organic electrolyte. 250–1000 micron thick dense CDC films with up to 80 mg cm-2 loading showed superior areal capacitances. The material significantly outperformed its activated carbon counterpart in organic electrolytes and ionic liquids. Furthermore, large internal/external surface ratio of coarse-grained carbons allowed the resulting electrodes to maintain high electrochemical stability up to 3.1 V in ionic liquid electrolyte. In addition to presenting novel insights into the electrosorption process, these coarse-grained carbons offer a pathway to low-cost, high-performance implementation of supercapacitors in automotive and grid-storage applications.

  17. Entrainment of coarse grains using a discrete particle model

    SciTech Connect (OSTI)

    Valyrakis, Manousos; Arnold, Roger B. Jr.

    2014-10-06

    Conventional bedload transport models and incipient motion theories relying on a time-averaged boundary shear stress are incapable of accounting for the effects of fluctuating near-bed velocity in turbulent flow and are therefore prone to significant errors. Impulse, the product of an instantaneous force magnitude and its duration, has been recently proposed as an appropriate criterion for quantifying the effects of flow turbulence in removing coarse grains from the bed surface. Here, a discrete particle model (DPM) is used to examine the effects of impulse, representing a single idealized turbulent event, on particle entrainment. The results are classified according to the degree of grain movement into the following categories: motion prior to entrainment, initial dislodgement, and energetic displacement. The results indicate that in all three cases the degree of particle motion depends on both the force magnitude and the duration of its application and suggest that the effects of turbulence must be adequately accounted for in order to develop a more accurate method of determining incipient motion. DPM is capable of simulating the dynamics of grain entrainment and is an appropriate tool for further study of the fundamental mechanisms of sediment transport.

  18. Apply to the Cyclotron Institute REU Program

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

    Apply Now Applying for the 2016 NSF-REU Nuclear Physics and Nuclear Chemistry Program at the Cyclotron Institute (APPLICATION DEADLINE HAS PASSED. Please check back in Fall 2016 to apply for Summer 2017)

  19. Ultrafast visualization of crystallization and grain growth in shock-compressed SiO2

    SciTech Connect (OSTI)

    Gleason, A. E.; Bolme, C. A.; Lee, H. J.; Nagler, B.; Galtier, E.; Milathianaki, D.; Hawreliak, J.; Kraus, R. G.; Eggert, J. H.; Fratanduono, D. E.; Collins, G. W.; Sandberg, R.; Yang, W.; Mao, W. L.

    2015-09-04

    Pressure- and temperature-induced phase transitions have been studied for more than a century but very little is known about the non-equilibrium processes by which the atoms rearrange. Shock compression generates a nearly instantaneous propagating high-pressure/temperature condition while in situ X-ray diffraction (XRD) probes the time-dependent atomic arrangement. Here we present in situ pump–probe XRD measurements on shock-compressed fused silica, revealing an amorphous to crystalline high-pressure stishovite phase transition. Using the size broadening of the diffraction peaks, the growth of nanocrystalline stishovite grains is resolved on the nanosecond timescale just after shock compression. At applied pressures above 18 GPa the nuclueation of stishovite appears to be kinetically limited to 1.4±0.4 ns. The functional form of this grain growth suggests homogeneous nucleation and attachment as the growth mechanism. As a result, these are the first observations of crystalline grain growth in the shock front between low- and high-pressure states via XRD.

  20. Applied Intellectual Capital AIC | Open Energy Information

    Open Energy Info (EERE)

    Intellectual Capital AIC Jump to: navigation, search Name: Applied Intellectual Capital (AIC) Place: California Zip: 94501-1010 Product: Applied Intellectual Capital (AIC) was...

  1. Applied Materials Wind Turbine | Open Energy Information

    Open Energy Info (EERE)

    Wind Turbine Jump to: navigation, search Name Applied Materials Wind Turbine Facility Applied Materials Sector Wind energy Facility Type Community Wind Facility Status In Service...

  2. Building America Expert Meeting: Recommendations for Applying...

    Energy Savers [EERE]

    Recommendations for Applying Water Heaters in Combination Space and Domestic Water Heating Systems Building America Expert Meeting: Recommendations for Applying Water Heaters in ...

  3. Applied Ventures LLC | Open Energy Information

    Open Energy Info (EERE)

    Applied Ventures LLC Name: Applied Ventures LLC Address: 3050 Bowers Avenue Place: Santa Clara, California Zip: 95054 Region: Southern CA Area Product: Venture capital. Number...

  4. Ablation of high-Z material dust grains in edge plasmas of magnetic fusion devices

    SciTech Connect (OSTI)

    Marenkov, E. D.; Krasheninnikov, S. I.

    2014-12-15

    The model, including shielding effects of high-Z dust grain ablation in tokamak edge plasma, is presented. In a contrast to shielding models developed for pellets ablation in a hot plasma core, this model deals with the dust grain ablation in relatively cold edge plasma. Using some simplifications, a closed set of equations determining the grain ablation rate Γ is derived and analyzed both analytically and numerically. The scaling law for Γ versus grain radius and ambient plasma parameters is obtained and confirmed by the results of numerical solutions. The results obtained are compared with both dust grain models containing no shielding effects and the pellet ablation models.

  5. Does the debris disk around HD 32297 contain cometary grains?

    SciTech Connect (OSTI)

    Rodigas, Timothy J.; Hinz, Philip M.; Bailey, Vanessa; Defrere, Denis; Leisenring, Jarron; Schneider, Glenn; Skemer, Andrew J.; Vaitheeswaran, Vidhya; Debes, John H.; Mamajek, Eric E.; Pecaut, Mark J.; Currie, Thayne; De Rosa, Robert J.; Ward-Duong, Kimberly; Hill, John M.; Skrutskie, Michael

    2014-03-01

    We present an adaptive optics imaging detection of the HD 32297 debris disk at L' (3.8 ?m) obtained with the LBTI/LMIRcam infrared instrument at the Large Binocular Telescope. The disk is detected at signal-to-noise ratio per resolution element ?3-7.5 from ?0.''3 to 1.''1 (30-120 AU). The disk at L' is bowed, as was seen at shorter wavelengths. This likely indicates that the disk is not perfectly edge-on and contains highly forward-scattering grains. Interior to ?50 AU, the surface brightness at L' rises sharply on both sides of the disk, which was also previously seen at Ks band. This evidence together points to the disk containing a second inner component located at ?50 AU. Comparing the color of the outer (50 grains model of Donaldson et al. We find that the model fails to match this disk's surface brightness and spectrum simultaneously (reduced chi-square = 17.9). When we modify the density distribution of the model disk, we obtain a better overall fit (reduced chi-square = 2.87). The best fit to all of the data is a pure water ice model (reduced chi-square = 1.06), but additional resolved imaging at 3.1 ?m is necessary to constrain how much (if any) water ice exists in the disk, which can then help refine the originally proposed cometary grains model.

  6. PERCOLATION ON GRAIN BOUNDARY NETWORKS: APPLICATION TO FISSION GAS RELEASE IN NUCLEAR FUELS

    SciTech Connect (OSTI)

    Paul C. Millett

    2012-02-01

    The percolation behavior of grain boundary networks is characterized in two- and three-dimensional lattices with circular macroscale cross-sections that correspond to nuclear fuel elements. The percolation of gas bubbles on grain boundaries, and the subsequent percolation of grain boundary networks is the primary mechanism of fission gas release from nuclear fuels. Both radial cracks and radial gradients in grain boundary property distributions are correlated with the fraction of grain boundaries vented to the free surfaces. Our results show that cracks surprisingly do not significantly increase the percolation of uniform grain boundary networks. However, for networks with radial gradients in boundary properties, the cracks can considerably raise the vented grain boundary content.

  7. The Effect Of Electronic Energy Loss On Irradiation-induced Grain Growth In Nanocrystalline Oxides

    SciTech Connect (OSTI)

    Zhang, Yanwen; Aidhy, Dilpuneet S.; Varga, Tamas; Moll, Sandra; Edmondson, Philip D.; Namavar, Fereydoon; Jin, Ke; Ostrouchov, Christopher N.; Weber, William J.

    2014-03-03

    Grain growth of nanocrystalline materials is generally thermally activated, but can also be driven by irradiation at much lower temperature. In nanocrystalline ceria and zirconia, energetic ions deposit their energy to both atomic nuclei and electrons. Our experimental results have shown that irradiationinduced grain growth is dependent on the total energy deposited, where electronic energy loss and elastic collisions between atomic nuclei both contribute to the production of disorder and grain growth. Our atomistic simulations reveal that a high density of disorder near grain boundaries leads to locally rapid grain movement. The additive effect from both electronic excitation and atomic collision cascades on grain growth demonstrated in this work opens up new possibilities for controlling grain sizes to improve functionality of nanocrystalline materials.

  8. The influence of temperature and grain boundary volume on the resistivity of nanocrystalline nickel

    SciTech Connect (OSTI)

    Darnbrough, J. E. Flewitt, P. E. J.; Roebuck, B.

    2015-11-14

    The thermal stability and modes of recrystallisation of nanocrystalline nickel has been observed through a conduction-based non-destructive test. Resistivity measurements have been utilised to quantify grain boundary volume fraction and microstructure. This observation makes clear the distinction of the factors that contribute to resistivity and demonstrates that these contributions are related to microstructure, either directly or in-directly. In static systems, the contribution of ordered grains and low-order grain boundary atomic arrangements in small grained material has been measured and correlated with resistivity. Measurements of in-situ resistivity conducted at high temperature gives changes with time which are related to grain growth, during heat treatment. This shows that resistivity can be used as a technique for observing the microstructure and grain growth of small grained material.

  9. Low temperature production of large-grain polycrystalline semiconductors

    DOE Patents [OSTI]

    Naseem, Hameed A.; Albarghouti, Marwan

    2007-04-10

    An oxide or nitride layer is provided on an amorphous semiconductor layer prior to performing metal-induced crystallization of the semiconductor layer. The oxide or nitride layer facilitates conversion of the amorphous material into large grain polycrystalline material. Hence, a native silicon dioxide layer provided on hydrogenated amorphous silicon (a-Si:H), followed by deposited Al permits induced crystallization at temperatures far below the solid phase crystallization temperature of a-Si. Solar cells and thin film transistors can be prepared using this method.

  10. Model of evolution of surface grain structure under ion bombardment

    SciTech Connect (OSTI)

    Knyazeva, Anna G.; Kryukova, Olga N.

    2014-11-14

    Diffusion and chemical reactions in multicomponent systems play an important role in numerous technology applications. For example, surface treatment of materials and coatings by particle beam leads to chemical composition and grain structure change. To investigate the thermal-diffusion and chemical processes affecting the evolution of surface structure, the mathematical modeling is efficient addition to experiment. In this paper two-dimensional model is discussed to describe the evolution of titanium nitride coating on the iron substrate under implantation of boron and carbon. The equation for diffusion fluxes and reaction rate are obtained using Gibbs energy expansion into series with respect to concentration and their gradients.

  11. Comparing liquid fuel costs: grain alcohol versus sunflower oil

    SciTech Connect (OSTI)

    Reining, R.C.; Tyner, W.E.

    1983-08-01

    This paper compares the technical and economic feasibility of small-scale production of fuel grade grain alcohol with sunflower oil. Three scales of ethanol and sunflower oil production are modeled, and sensitivity analysis is conducted for various operating conditions and costs. The general conclusion is that sunflower oil costs less to produce than alcohol. Government subsidies for alcohol, but not sunflower oil, could cause adoption of more expensive alcohol in place of cheaper sunflower oil. However, neither sunflower oil nor alcohol are competitive with diesel fuel. 7 references.

  12. Roles of grain boundaries on the semiconductor to metal phase...

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Journal Name: Applied Physics Letters; Journal Volume: 107; Journal Issue: 10; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International ...

  13. Influence of grain size on the constitutive response and substructure evolution of MONEL 400

    SciTech Connect (OSTI)

    Gray, G.T. III, Chen, S.R.; Vecchio, K.S.

    1999-05-01

    The influence of grain size on the constitutive behavior (strain-rate and temperature dependence of the yield stress and strain hardening) and substructure evolution of MONEL 400 was investigated. Increasing the grain size from 9.5 to 202 {micro}m was seen to reduce the quasi-static yield strength from 290 to 115 MPa, while having a minimal effect on the work-hardening response. Increasing the strain rate from quasi-static to dynamic strain rates (3000 s{sup {minus}1}) was seen to increase the yield and overall flow-stress levels, but has no effect on the strong grain-size dependency exhibited of this alloy. The persistent influence of grain size to large strains is inconsistent with previous d{sup {minus}1/2} pileup grain-size modeling in the literature, which predicts convergence at large strains. Substructure evolution differences between the grain interiors and adjacent to grain boundaries supports differential defect storage processes which are consistent with previously published work-hardening d{sup {minus}1} modeling arguments for grain size-dependent strengthening in polycrystals. The integration of grain-size dependency into constitutive modeling using the mechanical threshold stress (MTS) model is discussed. The MTS model is shown to provide a robust constitutive description capturing yielding, large-strain work hardening, and grain-size effects simultaneously. The MTS model is, additionally, shown to satisfactorily address the experimentally observed transients due to strain-rate or temperature-path dependency.

  14. Microstructure of warm rolling and pearlitic transformation of ultrafine-grained GCr15 steel

    SciTech Connect (OSTI)

    Sun, Jun-Jie; Lian, Fu-Liang; Liu, Hong-Ji; Jiang, Tao; Guo, Sheng-Wu; Du, Lin-Xiu; Liu, Yong-Ning

    2014-09-15

    Pearlitic transformation mechanisms have been investigated in ultra-fine grained GCr15 steel. The ultrafine-grained steel, whose grain size was less than 1 μm, was prepared by thermo-mechanical treatment at 873 K and then annealing at 923 K for 2 h. Pearlitic transformation was conducted by reheating the ultra-fine grained samples at 1073 K and 1123 K for different periods of time and then cooling in air. Scanning electron microscope observation shows that normal lamellar pearlite, instead of granular cementite and ferrite, cannot be formed when the grain size is approximately less than 4(± 0.6) μm, which yields a critical grain size for normal lamellar pearlitic transformations in this chromium alloyed steel. The result confirms that grain size has a great influence on pearlitic transformation by increasing the diffusion rate of carbon atoms in the ultra-fine grained steel, and the addition of chromium element doesn't change this pearlitic phase transformation rule. Meanwhile, the grain growth rate is reduced by chromium alloying, which is beneficial to form fine grains during austenitizing, thus it facilitating pearlitic transformation by divorced eutectoid transformation. Moreover, chromium element can form a relatively high gradient in the frontier of the undissolved carbide, which promotes carbide formation in the frontier of the undissolved carbide, i.e., chromium promotes divorced eutectoid transformation. - Highlights: • Ultrafine-grained GCr15 steel was obtained by warm rolling and annealing technology. • Reduction of grain size makes pearlite morphology from lamellar to granular. • Adding Cr does not change normal pearlitic phase transformation rule in UFG steel. • Cr carbide resists grain growth and facilitates pearlitic transformation by DET.

  15. How to Apply for the ENERGY STAR®

    Broader source: Energy.gov [DOE]

    Join us to learn about applying for ENERGY STAR Certification in Portfolio Manager. Understand the value of the ENERGY STAR certification, see the step-by-step process of applying, and gain tips to...

  16. Apply for Beam Time | Advanced Photon Source

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

    All About Proposals Users Home Apply for Beam Time Deadlines Proposal Types Concepts, Definitions, and Help My APS Portal My APS Portal Apply for Beam Time Next Proposal Deadline...

  17. Applying for PMCDP/FPD Certification (initial)

    Broader source: Energy.gov [DOE]

    Certification applicants are nominated by their respective Program Secretarial Office (PSO) to apply for FPD certification – candidates may not apply without program sponsorship. Each participating...

  18. Multiscale model of metal alloy oxidation at grain boundaries

    SciTech Connect (OSTI)

    Sushko, Maria L. Alexandrov, Vitaly; Schreiber, Daniel K.; Rosso, Kevin M.; Bruemmer, Stephen M.

    2015-06-07

    High temperature intergranular oxidation and corrosion of metal alloys is one of the primary causes of materials degradation in nuclear systems. In order to gain insights into grain boundary oxidation processes, a mesoscale metal alloy oxidation model is established by combining quantum Density Functional Theory (DFT) and mesoscopic Poisson-Nernst-Planck/classical DFT with predictions focused on Ni alloyed with either Cr or Al. Analysis of species and fluxes at steady-state conditions indicates that the oxidation process involves vacancy-mediated transport of Ni and the minor alloying element to the oxidation front and the formation of stable metal oxides. The simulations further demonstrate that the mechanism of oxidation for Ni-5Cr and Ni-4Al is qualitatively different. Intergranular oxidation of Ni-5Cr involves the selective oxidation of the minor element and not matrix Ni, due to slower diffusion of Ni relative to Cr in the alloy and due to the significantly smaller energy gain upon the formation of nickel oxide compared to that of Cr{sub 2}O{sub 3}. This essentially one-component oxidation process results in continuous oxide formation and a monotonic Cr vacancy distribution ahead of the oxidation front, peaking at alloy/oxide interface. In contrast, Ni and Al are both oxidized in Ni-4Al forming a mixed spinel NiAl{sub 2}O{sub 4}. Different diffusivities of Ni and Al give rise to a complex elemental distribution in the vicinity of the oxidation front. Slower diffusing Ni accumulates in the oxide and metal within 3 nm of the interface, while Al penetrates deeper into the oxide phase. Ni and Al are both depleted from the region 3–10 nm ahead of the oxidation front creating voids. The oxide microstructure is also different. Cr{sub 2}O{sub 3} has a plate-like structure with 1.2–1.7 nm wide pores running along the grain boundary, while NiAl{sub 2}O{sub 4} has 1.5 nm wide pores in the direction parallel to the grain boundary and 0.6 nm pores in the perpendicular

  19. On Techniques to Characterize and Correlate Grain Size, Grain Boundary Orientation and the Strength of the SiC Layer of TRISO Coated Particles: A Preliminary Study

    SciTech Connect (OSTI)

    I.J.van Rooyen; J.L. Dunzik Gougar; T. Trowbridge; Philip M van Rooyen

    2012-10-01

    The mechanical properties of the silicon carbide (SiC) layer of the TRi-ISOtropic (TRISO) coated particle (CP) for high temperature gas reactors (HTGR) are performance parameters that have not yet been standardized by the international HTR community. Presented in this paper are the results of characterizing coated particles to reveal the effect of annealing temperature (1000 to 2100C) on the strength and grain size of unirradiated coated particles. This work was further expanded to include possible relationships between the grain size and strength values. The comparative results of two strength measurement techniques and grain size measured by the Lineal intercept method are included. Preliminary grain boundary characterization results determined by electron backscatter diffraction (EBSD) are included. These results are also important for future fission product transport studies, as grain boundary diffusion is identified as a possible mechanism by which 110mAg, one of the fission activation products, might be released through intact SiC layers. Temperature is a parameter known to influence the grain size of SiC and therefore it is important to investigate the effect of high temperature annealing on the SiC grain size. Recommendations and future work will also be briefly discussed.

  20. Unraveling irradiation induced grain growth with in situ transmission electron microscopy and coordinated modeling

    SciTech Connect (OSTI)

    Bufford, D. C.; Abdeljawad, F. F.; Foiles, S. M.; Hattar, K.

    2015-11-09

    Nanostructuring has been proposed as a method to enhance radiation tolerance, but many metallic systems are rejected due to significant concerns regarding long term grain boundary and interface stability. This work utilized recent advancements in transmission electron microscopy (TEM) to quantitatively characterize the grain size, texture, and individual grain boundary character in a nanocrystalline gold model system before and after in situ TEM ion irradiation with 10 MeV Si. The initial experimental measurements were fed into a mesoscale phase field model, which incorporates the role of irradiation-induced thermal events on boundary properties, to directly compare the observed and simulated grain growth with varied parameters. The observed microstructure evolution deviated subtly from previously reported normal grain growth in which some boundaries remained essentially static. In broader terms, the combined experimental and modeling techniques presented herein provide future avenues to enhance quantification and prediction of the thermal, mechanical, or radiation stability of grain boundaries in nanostructured crystalline systems.

  1. AB INITIO STUDY OF GRAIN BOUNDARY PROPERTIES OF TUNGSTEN ALLOYS

    SciTech Connect (OSTI)

    Setyawan, Wahyu; Kurtz, Richard J.

    2012-04-17

    Density functional theory was employed to investigate the grain boundary (GB) property of W-TM alloys (TM: fifth and sixth row transition metals). GB strengthening was found for Hf, Ta, Nb, Ru, Re, Os and Ir for 27{l_brace}525{r_brace} and to a lesser degree for 11{l_brace}323{r_brace}. Lower valence solutes strengthen the GB at certain substitutional sites, while higher valence elements enforce it at other positions. For 3{l_brace}112{r_brace}, the alloys exhibit reduced cleavage energies. Hence, allowing with TMs increases the GB cohesion more effectively for large-angle GBs whose cleavage energy is, in general, inherently lower than the low-angle ones. Electron density analysis elucidates the mechanism of charge addition or depletion of the GB bonding region upon TM substitution at various positions leading to stronger or weaker intergranular cohesion, respectively.

  2. GRAIN-SCALE FAILURE IN THERMAL SPALLATION DRILLING

    SciTech Connect (OSTI)

    Walsh, S C; Lomov, I; Roberts, J J

    2012-01-19

    Geothermal power promises clean, renewable, reliable and potentially widely-available energy, but is limited by high initial capital costs. New drilling technologies are required to make geothermal power financially competitive with other energy sources. One potential solution is offered by Thermal Spallation Drilling (TSD) - a novel drilling technique in which small particles (spalls) are released from the rock surface by rapid heating. While TSD has the potential to improve drilling rates of brittle granitic rocks, the coupled thermomechanical processes involved in TSD are poorly described, making system control and optimization difficult for this drilling technology. In this paper, we discuss results from a new modeling effort investigating thermal spallation drilling. In particular, we describe an explicit model that simulates the grain-scale mechanics of thermal spallation and use this model to examine existing theories concerning spalling mechanisms. We will report how borehole conditions influence spall production, and discuss implications for macro-scale models of drilling systems.

  3. The growth mechanism of grain boundary carbide in Alloy 690

    SciTech Connect (OSTI)

    Li, Hui; Xia, Shuang; Zhou, Bangxin; Peng, Jianchao

    2013-07-15

    The growth mechanism of grain boundary M{sub 23}C{sub 6} carbides in nickel base Alloy 690 after aging at 715 °C was investigated by high resolution transmission electron microscopy. The grain boundary carbides have coherent orientation relationship with only one side of the matrix. The incoherent phase interface between M{sub 23}C{sub 6} and matrix was curved, and did not lie on any specific crystal plane. The M{sub 23}C{sub 6} carbide transforms from the matrix phase directly at the incoherent interface. The flat coherent phase interface generally lies on low index crystal planes, such as (011) and (111) planes. The M{sub 23}C{sub 6} carbide transforms from a transition phase found at curved coherent phase interface. The transition phase has a complex hexagonal crystal structure, and has coherent orientation relationship with matrix and M{sub 23}C{sub 6}: (111){sub matrix}//(0001){sub transition}//(111){sub carbide}, <112{sup ¯}>{sub matrix}//<21{sup ¯}10>{sub transition}//<112{sup ¯}>{sub carbide}. The crystal lattice constants of transition phase are c{sub transition}=√(3)×a{sub matrix} and a{sub transition}=√(6)/2×a{sub matrix}. Based on the experimental results, the growth mechanism of M{sub 23}C{sub 6} and the formation mechanism of transition phase are discussed. - Highlights: • A transition phase was observed at the coherent interfaces of M{sub 23}C{sub 6} and matrix. • The transition phase has hexagonal structure, and is coherent with matrix and M{sub 23}C{sub 6}. • The M{sub 23}C{sub 6} transforms from the matrix directly at the incoherent phase interface.

  4. Stabilizing soft fine-grained soils with fly ash

    SciTech Connect (OSTI)

    Edil, T.B.; Acosta, H.A.; Benson, C.H.

    2006-03-15

    The objective of this study was to evaluate the effectiveness of self-cementing fly ashes derived from combustion of subbituminous coal at electric power plants for stabilization of soft fine-grained soils. California bearing ratio (CBR) and resilient modulus (M{sub r}) tests were conducted on mixtures prepared with seven soft fine-grained soils (six inorganic soils and one organic soil) and four fly ashes. The soils were selected to represent a relatively broad range of plasticity, with plasticity indices ranging between 15 and 38. Two of the fly ashes are high quality Class C ashes (per ASTM C 618) that are normally used in Portland cement concrete. The other ashes are off-specification ashes, meaning they do not meet the Class C or Class F criteria in ASTM C 618. Tests were conducted on soils and soil-fly ash mixtures prepared at optimum water content (a standardized condition), 7% wet of optimum water content (representative of the typical in situ condition in Wisconsin), and 9-18% wet of optimum water content (representative of a very wet in situ condition). Addition of fly ash resulted in appreciable increases in the CBR and M{sub r} of the inorganic soils. For water contents 7% wet of optimum, CBRs of the soils alone ranged between 1 and 5. Addition of 10% fly ash resulted in CBRs ranging between 8 and 17, and 18% fly ash resulted in CBRs between 15 and 31. Similarly, M{sub r} of the soil alone ranged between 3 and 15 MPa at 7% wet of optimum, whereas addition of 10% fly ash resulted in M{sub r} between 12 and 60 MPa and 18% fly ash resulted in M{sub r} between 51 and 106 MPa. In contrast, except for one fly ash, addition of fly ash generally had little effect on CBR or M{sub r} of the organic soil.

  5. Small-angle X-ray Scattering from Magnetic Clusters and Structural Grains

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

    in Magnetic Recording Media | Stanford Synchrotron Radiation Lightsource Small-angle X-ray Scattering from Magnetic Clusters and Structural Grains in Magnetic Recording Media Friday, July 31, 2015 Historically, areal density increases in longitudinal hard disk drive media technology have been driven by reduction of grain size. However, since its introduction in 2006, the perpendicular magnetic recording media grain size has remained more or less constant at around 9 nm. Perpendicular

  6. Grain size dependent mechanical properties of nanocrystalline diamond films grown by hot-filament CVD

    SciTech Connect (OSTI)

    Wiora, M; Bruehne, K; Floeter, A; Gluche, P; Willey, T M; Kucheyev, S O; Van Buuren, A W; Hamza, A V; Biener, J; Fecht, H

    2008-08-01

    Nanocrystalline diamond (NCD) films with a thickness of {approx}6 {micro}m and with average grain sizes ranging from 60 to 9 nm were deposited on silicon wafers using a hot-filament chemical vapor deposition (HFCVD) process. These samples were then characterized with the goal to identify correlations between grain size, chemical composition and mechanical properties. The characterization reveals that our films are phase pure and exhibit a relatively smooth surface morphology. The levels of sp{sup 2}-bonded carbon and hydrogen impurities are low, and showed a systematic variation with the grain size. The hydrogen content increases with decreasing grain size, whereas the sp{sup 2} carbon content decreases with decreasing grain size. The material is weaker than single crystalline diamond, and both stiffness and hardness decrease with decreasing grain size. These trends suggest gradual changes of the nature of the grain boundaries, from graphitic in the case of the 60 nm grain size material to hydrogen terminated sp{sup 3} carbon for the 9 nm grain size material. The films exhibit low levels of internal stress and freestanding structures with a length of several centimeters could be fabricated without noticeable bending.

  7. Relative entropy and optimization-driven coarse-graining methods in VOTCA

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

    Mashayak, S. Y.; Jochum, Mara N.; Koschke, Konstantin; Aluru, N. R.; Rühle, Victor; Junghans, Christoph; Huang, Xuhui

    2015-07-20

    We discuss recent advances of the VOTCA package for systematic coarse-graining. Two methods have been implemented, namely the downhill simplex optimization and the relative entropy minimization. We illustrate the new methods by coarse-graining SPC/E bulk water and more complex water-methanol mixture systems. The CG potentials obtained from both methods are then evaluated by comparing the pair distributions from the coarse-grained to the reference atomistic simulations.We have also added a parallel analysis framework to improve the computational efficiency of the coarse-graining process.

  8. Grain Boundary Percolation Modeling of Fission Gas Release in Oxide Fuels

    SciTech Connect (OSTI)

    Paul C. Millett; Michael R. Tonks; S. B. Biner

    2012-05-01

    We present a new approach to fission gas release modeling in oxide fuels based on grain boundary network percolation. The method accounts for variability in the bubble growth and coalescence rates on individual grain boundaries, and the resulting effect on macroscopic fission gas release. Two-dimensional representa- tions of fuel pellet microstructures are considered, and the resulting gas release rates are compared with traditional two-stage Booth models, which do not account for long-range percolation on grain boundary net- works. The results show that the requirement of percolation of saturated grain boundaries can considerably reduce the total gas release rates, particularly when gas resolution is considered.

  9. A fast grain-growth mechanism revealed in nanocrystalline ceramic-oxides

    SciTech Connect (OSTI)

    Aidhy, Dilpuneet S; Zhang, Yanwen; Weber, William J

    2014-01-01

    Grain growth problem in nanocrystalline ceramic-oxides renders their highly attractive properties practically unusable due to limited understanding on the underlying grain growth mechanisms. Two conventional 'slow' grain-growth mechanisms, i.e., curvature-driven and grainrotation driven, are shown to be thermally active, and the discovery of a 'fast' disorder-driven mechanism is revealed using molecular dynamics simulation on nanocrystalline ceria, in conjunction with experimental observations. We elucidate that this disorder mechanism drives the unexpected fast grain growth observed experimentally during synthesis and irradiation conditions.

  10. Diffusion coefficients of Fokker-Planck equation for rotating dust grains in a fusion plasma

    SciTech Connect (OSTI)

    Bakhtiyari-Ramezani, M. Alinejad, N.; Mahmoodi, J.

    2015-11-15

    In the fusion devices, ions, H atoms, and H{sub 2} molecules collide with dust grains and exert stochastic torques which lead to small variations in angular momentum of the grain. By considering adsorption of the colliding particles, thermal desorption of H atoms and normal H{sub 2} molecules, and desorption of the recombined H{sub 2} molecules from the surface of an oblate spheroidal grain, we obtain diffusion coefficients of the Fokker-Planck equation for the distribution function of fluctuating angular momentum. Torque coefficients corresponding to the recombination mechanism show that the nonspherical dust grains may rotate with a suprathermal angular velocity.

  11. Pore and grain boundary migration under a temperature gradient: A phase-field model study

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

    Biner, S. B.

    2016-03-16

    In this study, the collective migration behavior of pores and grain boundaries under a temperature gradient is studied for simple single crystal, bi-crystal and polycrystal configurations with a phase-field model formulism. For simulation of the microstructure of solids, composed of pores and grain boundaries, the results indicate that not only the volume fraction of pores, but also its spatial partitioning between the grain boundary junctions and the grain boundary segments appears to be important. In addition to various physical properties, the evolution kinetics, under given temperature gradients, will be strongly influenced with the initial morphology of a poly-crystalline microstructure.

  12. Grain boundary chemistry effects on environment-induced crack growth of iron-based alloys

    SciTech Connect (OSTI)

    Jones, R.H.

    1992-11-01

    Relation between grain boundary chemistry and environment-induced crack growth of Fe-based alloys is reviewed. The importance of the cleanliness of steels is clearly demonstrated by direct relations between grain boundary chemistry and crack growth behavior for both H and anodic dissolution-induced crack growth. Relationships between strain to failure, work of fracture, K[sub ISCC], crack velocity and fracture mode and grain boundary chemistry are presented. Only results in which the grain boundary chemistry has been measured directly by Auger electron spectroscopy (AES) on intergranular surfaces exposed by in situ fracture have been considered in this review.

  13. Grain boundary chemistry effects on environment-induced crack growth of iron-based alloys

    SciTech Connect (OSTI)

    Jones, R.H.

    1992-11-01

    Relation between grain boundary chemistry and environment-induced crack growth of Fe-based alloys is reviewed. The importance of the cleanliness of steels is clearly demonstrated by direct relations between grain boundary chemistry and crack growth behavior for both H and anodic dissolution-induced crack growth. Relationships between strain to failure, work of fracture, K{sub ISCC}, crack velocity and fracture mode and grain boundary chemistry are presented. Only results in which the grain boundary chemistry has been measured directly by Auger electron spectroscopy (AES) on intergranular surfaces exposed by in situ fracture have been considered in this review.

  14. Method to grow carbon thin films consisting entirely of diamond grains 3-5 nm in size and high-energy grain boundaries

    DOE Patents [OSTI]

    Carlisle, John A.; Auciello, Orlando; Birrell, James

    2006-10-31

    An ultrananocrystalline diamond (UNCD) having an average grain size between 3 and 5 nanometers (nm) with not more than about 8% by volume diamond having an average grain size larger than 10 nm. A method of manufacturing UNCD film is also disclosed in which a vapor of acetylene and hydrogen in an inert gas other than He wherein the volume ratio of acetylene to hydrogen is greater than 0.35 and less than 0.85, with the balance being an inert gas, is subjected to a suitable amount of energy to fragment at least some of the acetylene to form a UNCD film having an average grain size of 3 to 5 nm with not more than about 8% by volume diamond having an average grain size larger than 10 nm.

  15. 2D stochastic-integral models for characterizing random grain noise in titanium alloys

    SciTech Connect (OSTI)

    Sabbagh, Harold A.; Murphy, R. Kim; Sabbagh, Elias H.; Cherry, Matthew; Pilchak, Adam; Knopp, Jeremy S.; Blodgett, Mark P.

    2014-02-18

    We extend our previous work, in which we applied high-dimensional model representation (HDMR) and analysis of variance (ANOVA) concepts to the characterization of a metallic surface that has undergone a shot-peening treatment to reduce residual stresses, and has, therefore, become a random conductivity field. That example was treated as a onedimensional problem, because those were the only data available. In this study, we develop a more rigorous two-dimensional model for characterizing random, anisotropic grain noise in titanium alloys. Such a model is necessary if we are to accurately capture the 'clumping' of crystallites into long chains that appear during the processing of the metal into a finished product. The mathematical model starts with an application of the Karhunen-Love (K-L) expansion for the random Euler angles, ? and ?, that characterize the orientation of each crystallite in the sample. The random orientation of each crystallite then defines the stochastic nature of the electrical conductivity tensor of the metal. We study two possible covariances, Gaussian and double-exponential, which are the kernel of the K-L integral equation, and find that the double-exponential appears to satisfy measurements more closely of the two. Results based on data from a Ti-7Al sample will be given, and further applications of HDMR and ANOVA will be discussed.

  16. Tension-compression-tension tertiary twins in coarse-grained polycrystalline pure magnesium at room temperature

    SciTech Connect (OSTI)

    Yu, Qin; Jiang, Yanyao; Wang, Jian

    2015-04-07

    Using electron backscatter diffraction, the microstructural features of tension–compression–tension (T–C–T) tertiary twins are studied in coarse-grained pure polycrystalline magnesium subjected to monotonic compression along the extrusion direction in ambient air. T–C–T tertiary twins are developed due to the formation of a compression–tension double twin inside a primary tension twin. All the observed T–C–T twin variants are of TiCjTj type. TiCi+1Ti+1 (or TiCi–1Ti–1) variants are observed more frequently than TiCi+2Ti+2 (or TiCi–2Ti–2) variants. Moreover, the number of tertiary twin lamellae increases with the applied compressive strain.

  17. Applied Field Research Initiative Deep Vadose Zone

    Office of Environmental Management (EM)

    Applied Field Research Initiative Deep Vadose Zone Located on the Hanford Site in Richland, Washington, the Deep Vadose Zone Applied Field Research Initiative (DVZ AFRI) was established to protect water resources by addressing the challenge of preventing contamination in the deep vadose zone from reaching groundwater. Led by the Pacific Northwest National Laboratory, the Initiative is a collaborative effort that leverages Department of Energy (DOE) investments in basic science and applied

  18. Applied Quantum Technology AQT | Open Energy Information

    Open Energy Info (EERE)

    Quantum Technology AQT Jump to: navigation, search Name: Applied Quantum Technology (AQT) Place: Santa Clara, California Zip: 95054 Product: California-based manufacturer of CIGS...

  19. Applied Energy Management | Open Energy Information

    Open Energy Info (EERE)

    Energy Management Jump to: navigation, search Name: Applied Energy Management Place: Huntersville, North Carolina Zip: 28078 Sector: Efficiency, Renewable Energy Product: North...

  20. Applied Materials Inc AMAT | Open Energy Information

    Open Energy Info (EERE)

    manufacturer of equipment used in solar (silicon, thin-film, BIPV), semiconductor, and LCD markets. References: Applied Materials Inc (AMAT)1 This article is a stub. You can...

  1. Effect of the pre-existing carbides on the grain boundary network during grain boundary engineering in a nickel based alloy

    SciTech Connect (OSTI)

    Liu, Tingguang; Xia, Shuang; Li, Hui; Zhou, Bangxin; Bai, Qin

    2014-05-01

    Grain boundary engineering was carried out on an aging-treated nickel based Alloy 690, which has precipitated carbides at grain boundaries. Electron backscatter diffraction technique was used to investigate the grain boundary networks. Results show that, compared with the solution-annealed samples, the aging-treated samples with pre-existing carbides at grain boundaries need longer duration or higher temperature during annealing after low-strain tensile deformation for forming high proportion of low-? coincidence site lattice grain boundaries (more than 75%). The reason is that the primary recrystallization is inhibited or retarded owing to that the pre-existing carbides are barriers to grain boundaries migration. - Highlights: Study of GBE as function of pre-existing GB carbides, tensile strain and annealing Recrystallization of GBE is inhibited or retarded by the pre-existing carbides. Retained carbides after annealing show the original GB positions. More than 80% of special GBs were formed after the modification of GBE processing. Multiple twinning during recrystallization is the key process of GBE.

  2. C–IBI: Targeting cumulative coordination within an iterative protocol to derive coarse-grained models of (multi-component) complex fluids

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

    de Oliveira, Tiago E.; Netz, Paulo A.; Kremer, Kurt; Junghans, Christoph; Mukherji, Debashish

    2016-05-03

    We present a coarse-graining strategy that we test for aqueous mixtures. The method uses pair-wise cumulative coordination as a target function within an iterative Boltzmann inversion (IBI) like protocol. We name this method coordination iterative Boltzmann inversion (C–IBI). While the underlying coarse-grained model is still structure based and, thus, preserves pair-wise solution structure, our method also reproduces solvation thermodynamics of binary and/or ternary mixtures. In addition, we observe much faster convergence within C–IBI compared to IBI. To validate the robustness, we apply C–IBI to study test cases of solvation thermodynamics of aqueous urea and a triglycine solvation in aqueous urea.

  3. Q0 Improvement of Large-Grain Multi-Cell Cavities by Using JLab's Standard ILC EP Processing

    SciTech Connect (OSTI)

    Geng, R. L. [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States); Eremeev, G. V. [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States); Kneisel, P. [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States); Liu, K. X. [IHIP, Peking University, Beijing (China); Lu, X. Y. [IHIP, Peking University, Beijing (China); Zhao, K. [IHIP, Peking University, Beijing (China)

    2011-07-01

    As reported previously at the Berlin workshop, applying the JLab standard ILC electropolishing (EP) recipe on previously buffered chemical polishing (BCP) etched fine-grain multi-cell cavities results in improvement both in gradient and Q{sub 0}. We recently had the opportunity to experiment with two 1300 MHz 9-cell large-gain niobium cavities manufactured by JLab and Peking University. Both cavities were initially BCP etched and further processed by using JLab's standard ILC EP recipe. Due to fabrication defects, these two cavities only reached a gradient in the range of 20-30 MV/m. Interestingly both cavities demonstrated significant Q{sub 0} improvement in the gradient range of 15-20 MV/m. At 2K, a Q{sub 0} value of 2E10 is achieved at 20 MV/m. At a reduced temperature of 1.8K, a Q{sub 0} value of 3E10 is achieved at 20 MV/m. These results suggest that a possible path for obtaining higher Q{sub 0} in the medium gradient range is to use the large-grain material for cavity fabrication and EP and low temperature bake for cavity processing.

  4. Texture enhancement during grain growth of magnesium alloy AZ31B

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

    Bhattacharyya, Jishnu J.; Agnew, S. R.; Muralidharan, G.

    2015-01-03

    In this paper, the microstructure and texture evolution during annealing of rolled Mg alloy AZ31B, at temperatures ranging from 260 to 450°C, is characterized, and a grain growth exponent of n=5, indicating inhibition of grain growth, is observed. Broadening of the normalized grain size distributions, which indicates abnormal grain growth, was observed at all temperatures investigated. It is shown, using a Zener-type analysis for pinning of grain boundaries by particles, that impurity-based particles are responsible for grain growth inhibition and abnormal grain growth. The strong basal texture which develops during rolling of the Mg alloy, resulting in an initial peakmore » intensity in the (0002) pole figure of nine multiples of a random distribution (MRD), increases to ~15 MRD during annealing at 400 and 450°C. Furthermore, a specific texture component {0001}(1120) is observed in the orientation distribution, which increases from 10 to 23 MRD at 400°C. It is hypothesized that the anisotropic grain boundary properties (i.e. low angle boundaries have low energy and mobility) are responsible for the texture strengthening. Additionally, electron backscattered diffraction reveals the recrystallized microstructure to contain a significant number of boundaries with ~30° misorientation about the <0001> direction, and this boundary type persists throughout most annealing treatments explored.« less

  5. Grain boundary character distribution in nanocrystalline metals produced by different processing routes

    SciTech Connect (OSTI)

    Bober, David B.; Kumar, Mukal; Rupert, Timothy J.; Khalajhedayati, Amirhossein

    2015-12-28

    Nanocrystalline materials are defined by their fine grain size, but details of the grain boundary character distribution should also be important. Grain boundary character distributions are reported for ball-milled, sputter-deposited, and electrodeposited Ni and Ni-based alloys, all with average grain sizes of ~20 nm, to study the influence of processing route. The two deposited materials had nearly identical grain boundary character distributions, both marked by a Σ3 length percentage of 23 to 25 pct. In contrast, the ball-milled material had only 3 pct Σ3-type grain boundaries and a large fraction of low-angle boundaries (16 pct), with the remainder being predominantly random high angle (73 pct). Furthermore, these grain boundary character measurements are connected to the physical events that control their respective processing routes. Consequences for material properties are also discussed with a focus on nanocrystalline corrosion. As a whole, the results presented here show that grain boundary character distribution, which has often been overlooked in nanocrystalline metals, can vary significantly and influence material properties in profound ways.

  6. The performance of a solar-regenerated open-cycle desiccant bed grain cooling system

    SciTech Connect (OSTI)

    Ismail, M.Z.; Angus, D.E. ); Thorpe, G.R. )

    1991-01-01

    The cooling of stored food grains suppresses the growth of populations of insect pests, inhibits spoilage by fungi and helps to preserve grain quality. In temperate and subtropical climates, grains may be effectively cooled by ventilating them with ambient air. In tropical climates, the enthalpy of the air must be reduced before it can be used for cooling grain. One method of achieving this is to isothermally reduce the humidity of the air. This paper describes experiments carried out on a simple-to-build solar-regenerated open-cycle grain cooling system. The device consists of a 5.85 m{sup 2} collector coupled with two beds of silica gel. Results from a series of experiments suggest that the device may be used to cool up to 200 tons of grain. The electrical power consumption of the device is of the order of 0.3 watt per ton of grain cooled, and the total electrical energy consumption is of the order of 0.7 kWh per ton of grain stored for a six-month period. The effectiveness of the device is a function of air flow rate and the enthalpy of ambient air, and results presented in this paper suggest that the solar cooling device is particularly effective in tropical climates.

  7. Method for producing ultrafine-grained materials using repetitive corrugation and straightening

    DOE Patents [OSTI]

    Zhu, Yuntian T.; Lowe, Terry C.; Jiang, Honggang; Huang, Jianyu

    2001-01-01

    A method of refining the grain structure and improving the hardness and strength properties of a metal or metal alloy workpiece is disclosed. The workpiece is subjected to forces that corrugate and then straighten the workpiece. These steps are repeated until an ultrafine-grained product having improved hardness and strength is produced.

  8. Grain boundary character distribution in nanocrystalline metals produced by different processing routes

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

    Bober, David B.; Kumar, Mukal; Rupert, Timothy J.; Khalajhedayati, Amirhossein

    2015-12-28

    Nanocrystalline materials are defined by their fine grain size, but details of the grain boundary character distribution should also be important. Grain boundary character distributions are reported for ball-milled, sputter-deposited, and electrodeposited Ni and Ni-based alloys, all with average grain sizes of ~20 nm, to study the influence of processing route. The two deposited materials had nearly identical grain boundary character distributions, both marked by a Σ3 length percentage of 23 to 25 pct. In contrast, the ball-milled material had only 3 pct Σ3-type grain boundaries and a large fraction of low-angle boundaries (16 pct), with the remainder being predominantlymore » random high angle (73 pct). Furthermore, these grain boundary character measurements are connected to the physical events that control their respective processing routes. Consequences for material properties are also discussed with a focus on nanocrystalline corrosion. As a whole, the results presented here show that grain boundary character distribution, which has often been overlooked in nanocrystalline metals, can vary significantly and influence material properties in profound ways.« less

  9. Nuclear Facilities and Applied Technologies at Sandia

    SciTech Connect (OSTI)

    Wheeler, Dave; Kaiser, Krista; Martin, Lonnie; Hanson, Don; Harms, Gary; Quirk, Tom

    2014-11-28

    The Nuclear Facilities and Applied Technologies organization at Sandia National Laboratories Technical Area Five (TA-V) is the leader in advancing nuclear technologies through applied radiation science and unique nuclear environments. This video describes the organizations capabilities, facilities, and culture.

  10. Effect of Dust Grains on Solitary Kinetic Alfven Wave

    SciTech Connect (OSTI)

    Li Yangfang; Wu, D. J.; Morfill, G. E.

    2008-09-07

    Solitary kinetic Alfven wave has been studied in dusty plasmas. The effect of the dust charge-to-mass ratio is considered. We derive the Sagdeev potential for the soliton solutions based on the hydrodynamic equations. A singularity in the Sagdeev potential is found and this singularity results in a bell-shaped soliton. The soliton solutions comprise two branches. One branch is sub-Alfvenic and the soliton velocities are much smaller than the Alfven speed. The other branch is super-Alfvenic and the soliton velocities are very close to or greater than the Alfven speed. Both compressive and rarefactive solitons can exist in each branch. For the sub-Alfvenic branch, the rarefactive soliton is a bell shape curve which is much narrower than the compressive one. In the super-Alfvenic branch, however, the compressive soliton is bell-shaped and the rarefactive one is broadened. We also found that the super-Alfvenic solitons can develop to other structures. When the charge-to-mass ratio of the dust grains is sufficiently high, the width of the rarefactive soliton will increase extremely and an electron density depletion will be observed. When the velocity is much higher than the Alfven speed, the bell-shaped soliton will transit to a cusped structure.

  11. The Effect of Eectronic Energy Loss on Irradiation-Induced Grain Growth in Nanocrystalline Oxides

    SciTech Connect (OSTI)

    Zhang, Yanwen; Aidhy, Dilpuneet S.; Varga, Tamas; Moll, Sandra; Edmondson, P. D.; Namavar, Fereydoon; Jin, Ke; Ostrouchov, Christopher N.; Weber, William J.

    2014-01-01

    Grain growth of nanocrystalline materials is generally thermally activated, but can also be driven by irradiation at much lower temperature. In nanocrystalline ceria and zirconia, contributions from both displacement damage and ionization to the grain growth are identified. Our atomistic simulations have revealed fast grain boundary (GB) movements due to the high density of disorder near GBs. Our experimental results have shown that irradiation-induced grain growth is a function of total energy deposited, where the excitation of target electrons and displacement of lattice atoms both contribute to the overall disorder and both play important roles in grain growth. The coupling of energy deposition to the electronic and lattice structures should both be taken into consideration when engineering nanostructural materials.

  12. Grain boundary plane orientation fundamental zones and structure-property relationships

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

    Homer, Eric R.; Patala, Srikanth; Priedeman, Jonathan L.

    2015-10-26

    Grain boundary plane orientation is a profoundly important determinant of character in polycrystalline materials that is not well understood. This work demonstrates how boundary plane orientation fundamental zones, which capture the natural crystallographic symmetries of a grain boundary, can be used to establish structure-property relationships. Using the fundamental zone representation, trends in computed energy, excess volume at the grain boundary, and temperature-dependent mobility naturally emerge and show a strong dependence on the boundary plane orientation. Analysis of common misorientation axes even suggests broader trends of grain boundary energy as a function of misorientation angle and plane orientation. Due to themore » strong structure-property relationships that naturally emerge from this work, boundary plane fundamental zones are expected to simplify analysis of both computational and experimental data. This standardized representation has the potential to significantly accelerate research in the topologically complex and vast five-dimensional phase space of grain boundaries.« less

  13. Grain boundary plane orientation fundamental zones and structure-property relationships

    SciTech Connect (OSTI)

    Homer, Eric R.; Patala, Srikanth; Priedeman, Jonathan L.

    2015-10-26

    Grain boundary plane orientation is a profoundly important determinant of character in polycrystalline materials that is not well understood. This work demonstrates how boundary plane orientation fundamental zones, which capture the natural crystallographic symmetries of a grain boundary, can be used to establish structure-property relationships. Using the fundamental zone representation, trends in computed energy, excess volume at the grain boundary, and temperature-dependent mobility naturally emerge and show a strong dependence on the boundary plane orientation. Analysis of common misorientation axes even suggests broader trends of grain boundary energy as a function of misorientation angle and plane orientation. Due to the strong structure-property relationships that naturally emerge from this work, boundary plane fundamental zones are expected to simplify analysis of both computational and experimental data. This standardized representation has the potential to significantly accelerate research in the topologically complex and vast five-dimensional phase space of grain boundaries.

  14. Cooperative chemical rebonding in the segregation of impurities in silicon grain boundaries

    SciTech Connect (OSTI)

    Maiti, A.; Chisholm, M.F.; Pennycook, S.J.; Pantelides, S.T.

    1996-12-01

    With ab initio calculations the authors show that the experimentally observed large segregation energies of As at Si grain boundaries can be explained by the formation of isolated dimers or ordered chains of dimers of threefold-coordinated As along the cores of grain boundary dislocations. They also find the intriguing possibility that As segregation may drive structural transformation of certain grain boundaries. Recently, they have obtained the first atomic-resolution STEM images of As in a Si grain boundary, consistent with the formation of As dimers. Segregation energy of As dimers was found to be significantly higher in isolated dislocation cores, where larger site-variation in strain than in grain boundaries lead to further lowering of the electronic levels of As deep into the bandgap.

  15. Extracting grain-orientation-dependent data from in situ time-of-flight neutron diffraction. I. Inverse pole figures

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

    Stoica, Grigoreta M.; Stoica, Alexandru Dan; An, Ke; Ma, Dong; Vogel, S. C.; Carpenter, J. S.; Wang, Xun-Li

    2014-11-28

    The problem of calculating the inverse pole figure (IPF) is analyzed from the perspective of the application of time-of flight neutron diffraction toin situmonitoring of the thermomechanical behavior of engineering materials. On the basis of a quasi-Monte Carlo (QMC) method, a consistent set of grain orientations is generated and used to compute the weighting factors for IPF normalization. The weighting factors are instrument dependent and were calculated for the engineering materials diffractometer VULCAN (Spallation Neutron Source, Oak Ridge National Laboratory). The QMC method is applied to face-centered cubic structures and can be easily extended to other crystallographic symmetries. Examples includemore » 316LN stainless steelin situloaded in tension at room temperature and an Al–2%Mg alloy, substantially deformed by cold rolling and in situannealed up to 653 K.« less

  16. Pi in Applied Optics | GE Global Research

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

    Inside the Applied Optics Lab II Click to email this to a friend (Opens in new window) Share on Facebook (Opens in new window) Click to share (Opens in new window) Click to share on LinkedIn (Opens in new window) Click to share on Tumblr (Opens in new window) The sPI CAM: Inside the Applied Optics Lab II The sPI Cam visits the Applied Optics Lab to see how Mark Meyers, a physicist and optical engineer at GE Global Research, uses Pi. You Might Also Like lightning bolt We One-Upped Ben Franklin,

  17. Categorical Exclusion Determinations: Illinois | Department of Energy

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

    Illinois Categorical Exclusion Determinations: Illinois Location Categorical Exclusion Determinations issued for actions in Illinois. DOCUMENTS AVAILABLE FOR DOWNLOAD July 20, 2016 CX-100656 Categorical Exclusion Determination Improving reliability and reducing cost in CdTe photovoltaics via grain boundary engineering Award Number: DE-EE0007545 CX(s) Applied: A9, B3.6 Solar Energy Technologies Office Date: 7/12/2016 Location(s): IL Office(s): Golden Field Office April 6, 2016 CX-100589

  18. Overview of the NMSEA applied research program

    SciTech Connect (OSTI)

    Stickney, B.; Wilson, A.

    1980-01-01

    Recently the NMSEA has seen the need to augment its other informational programs with a program of in-house applied research. The reasoning behind this move is presented here along with and accounting of past research activities.

  19. Applied Energy Programs, SPO-AE: LANL

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

    Karl Jonietz 505-663-5539 Program Manager Melissa Fox 505-663-5538 Budget Analyst Fawn Gore 505-665-0224 The Applied Energy Program Office (SPO-AE) manages Los Alamos National...

  20. SAGE, Summer of Applied Geophysical Experience

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

    Apply Who Qualifies Special Undergrad Information Contributors Faculty Past Programs Photo Gallery NSEC » CSES » SAGE SAGE, the Summer of Applied Geophysical Experience A National Science Foundation Research Experiences for Undergraduates program Contacts Institute Director Reinhard Friedel-Los Alamos SAGE Co-Director W. Scott Baldridge-Los Alamos SAGE Co-Director Larry Braile-Purdue University Professional Staff Assistant Georgia Sanchez (505) 665-0855 Email SAGE Class of 2016 SAGE 2016

  1. How to Apply | Department of Energy

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

    How to Apply How to Apply Online Application Available at www.zintellect.com/Posting/Details/1997 Application deadline May 20, 2016. Familiarize yourself with the benefits, obligations, eligibility requirements, and evaluation criteria. Familiarize yourself with the requirements and obligations to determine whether your education and professional goals are well aligned with the EERE Postdoctoral Research Awards. Read the Evaluation Criteria that will be used to evaluate your application. It is

  2. LANSCE | Lujan Center | Apply for Beamtime

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

    Apply for Beamtime LANSCE User Resources Tips for a Successful Proposal Step 1: Apply for Beam Time 1. Select an Instrument and a Local Contact 2. Submit Your Proposal Step 2: Before You Arrive 1. Complete the LANSCE User Facility Agreement Questionnaire 2. Arrange for Site Access 3. Prepare for Your Experiment: Contact Lujan Experiment Coordinator to arrange shipping of your samples. Talk to the beamline scientist about any electrical equipment you might bring. 4. Complete your training Step 3:

  3. STOCK: Structure mapper and online coarse-graining kit for molecular simulations

    SciTech Connect (OSTI)

    Bevc, Staš; Junghans, Christoph; Praprotnik, Matej

    2015-03-15

    We present a web toolkit STructure mapper and Online Coarse-graining Kit for setting up coarse-grained molecular simulations. The kit consists of two tools: structure mapping and Boltzmann inversion tools. The aim of the first tool is to define a molecular mapping from high, e.g. all-atom, to low, i.e. coarse-grained, resolution. Using a graphical user interface it generates input files, which are compatible with standard coarse-graining packages, e.g. VOTCA and DL_CGMAP. Our second tool generates effective potentials for coarse-grained simulations preserving the structural properties, e.g. radial distribution functions, of the underlying higher resolution model. The required distribution functions can be provided by any simulation package. Simulations are performed on a local machine and only the distributions are uploaded to the server. The applicability of the toolkit is validated by mapping atomistic pentane and polyalanine molecules to a coarse-grained representation. Effective potentials are derived for systems of TIP3P (transferable intermolecular potential 3 point) water molecules and salt solution. The presented coarse-graining web toolkit is available at http://stock.cmm.ki.si.

  4. In situ synchrotron study of electromigration induced grain rotations in Sn solder joints

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

    Shen, Hao; Zhu, Wenxin; Li, Yao; Tamura, Nobumichi; Chen, Kai

    2016-04-18

    In this paper we report an in situ study of the early stage of microstructure evolution induced by electromigration in a Pb-free β-Sn based solder joint by synchrotron polychromatic X-ray microdiffraction. With this technique, crystal orientation evolution is monitored at intragranular levels with high spatial and angular resolution. During the entire experiment, no crystal growth is detected, and rigid grain rotation is observed only in the two grains within the current crowding region, where high density and divergence of electric current occur. Theoretical calculation indicates that the trend of electrical resistance drop still holds under the present conditions in themore » grain with high electrical resistivity, while the other grain with low resistivity reorients to align its a-axis more parallel with the ones of its neighboring grains. A detailed study of dislocation densities and subgrain boundaries suggests that grain rotation in β-Sn, unlike grain rotation in high melting temperature metals which undergo displacive deformation, is accomplished via diffusional process mainly, due to the high homologous temperature.« less

  5. Grain growth and phase stability of nanocrystalline cubic zirconia under ion irradiation

    SciTech Connect (OSTI)

    Zhang, Yanwen; Jiang, Weilin; Wang, Chong M.; Namavar, Fereydoon; Edmondson, Philip D.; Zhu, Zihua; Gao, Fei; Lian, Jie; Weber, William J.

    2010-11-10

    Grain growth, oxygen stoichiometry and phase stability of nanostructurally-stabilized zirconia (NSZ) in pure cubic phase are investigated under 2 MeV Au ion bombardment at 160 and 400 K to doses up to 35 displacements per atom (dpa). The NSZ films are produced by ion-beam-assisted deposition technique at room temperature with an average grain size of 7.7 nm. The grain size increases with dose, and follows a power law (n=6) to a saturation value of ~30 nm that decreases with temperature. Slower grain growth is observed under 400 K irradiations, as compared to 160 K irradiations, indicating that thermal grain growth is not activated and defect-stimulated grain growth is the dominating mechanism. While cubic phase is perfectly retained and no new phases are identified after the high-dose irradiations, reduction of oxygen in the irradiated NSZ films is detected. The ratio of O to Zr decreases from ~2.0 for the as-deposited films to ~1.65 after irradiation to ~35 dpa. Significant increase of oxygen vacancies in nanocrystalline zirconia suggests substantially enhanced oxygen diffusion under ion irradiation, a materials behavior far from equilibrium. The oxygen deficiency may be essential in stabilizing cubic phase to larger grain sizes.

  6. Grain Growth and Phase Stability of Nanocrystalline Cubic Zirconia under Ion Irradiation

    SciTech Connect (OSTI)

    Zhang, Yanwen; Jiang, Weilin; Wang, Chongmin; Namavar, Fereydoon; Edmondson, Philip D.; Zhu, Zihua; Gao, Fei; Lian, Jie; Weber, William J

    2010-01-01

    Grain growth, oxygen stoichiometry and phase stability of nanostructurally-stabilized cubic zirconia (NSZ) are investigated under 2 MeV Au ion bombardment at 160 and 400 K to doses up to 35 displacements per atom (dpa). The NSZ films are produced by ion-beam-assisted deposition technique at room temperature with an average grain size of 7.7 nm. The grain size increases with dose, and follows a power law (n=6) to a saturation value of ~30 nm that decreases with temperature. Slower grain growth is observed under 400 K irradiations, as compared to 160 K irradiations, indicating that the grain growth is not thermally activated and irradiation-induced grain growth is the dominating mechanism. While the cubic structure is retained and no new phases are identified after the high-dose irradiations, oxygen reduction in the irradiated NSZ films is detected. The ratio of O to Zr decreases from ~2.0 for the as-deposited films to ~1.65 after irradiation to ~35 dpa. The loss of oxygen suggests a significant increase of oxygen vacancies in nanocrystalline zirconia under ion irradiation. The oxygen deficiency may be essential in stabilizing the cubic phase to larger grain sizes.

  7. STOCK: Structure mapper and online coarse-graining kit for molecular simulations

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

    Bevc, Staš; Junghans, Christoph; Praprotnik, Matej

    2015-03-15

    We present a web toolkit STructure mapper and Online Coarse-graining Kit for setting up coarse-grained molecular simulations. The kit consists of two tools: structure mapping and Boltzmann inversion tools. The aim of the first tool is to define a molecular mapping from high, e.g. all-atom, to low, i.e. coarse-grained, resolution. Using a graphical user interface it generates input files, which are compatible with standard coarse-graining packages, e.g. VOTCA and DL_CGMAP. Our second tool generates effective potentials for coarse-grained simulations preserving the structural properties, e.g. radial distribution functions, of the underlying higher resolution model. The required distribution functions can be providedmore » by any simulation package. Simulations are performed on a local machine and only the distributions are uploaded to the server. The applicability of the toolkit is validated by mapping atomistic pentane and polyalanine molecules to a coarse-grained representation. Effective potentials are derived for systems of TIP3P (transferable intermolecular potential 3 point) water molecules and salt solution. The presented coarse-graining web toolkit is available at http://stock.cmm.ki.si.« less

  8. Grain Handling and Transportation Policy in Canada: Implications for the United States

    SciTech Connect (OSTI)

    Nolan, James; Peterson, Steven K

    2015-01-01

    The grain handling and transportation system in Canada (GHTS) is currently going through a major transition, both with respect to handling and transportation. Historically, the system has pitted farmers against the railways with respect to securing individual fair shares of grain revenues. But with the removal of the single desk marketing and logistics function of the Canadian Wheat Board (CWB) in late 2012, a very interesting and potentially game-changing outcome is emerging with respect to the new functionality of the grain companies in the Canadian system. While historical awareness of rail s natural monopoly position in the grain handling system has kept that sector regulated (in several ways) for close to a century, we are now starting to see the effects of a less than competitive Canadian grain handling sector on revenue sharing, along with renewed movement in the industry with respect to buyouts and potential mergers. This overview will highlight some of the changes now occurring and how they are potentially going to interact or evolve as the system moves forward. For example, the on-going regulatory instrument used to regulate grain transportation rates in Canada (called the maximum revenue entitlement (MRE) or revenue cap) is under current debate because of the introduction a few months ago of a modification to an old regulatory instrument known as extended (or reciprocal) interswitching. As opposed to the revenue cap which is a direct intervention on monopoly behavior, extended interswitching is designed to encourage the major Canadian grain carriers to compete with one another and potentially seek out new traffic (Nolan and Skotheim, 2008). But the most intriguing aspect of extended interswitching is how it might allow a major rail carrier from the U.S. to solicit grain traffic in some areas of the Canadian grain transportation system.

  9. Grain Handling and Transportation Policy in Canada: Implications for the United States

    SciTech Connect (OSTI)

    Nolan, James; Peterson, Steven K

    2015-08-01

    The grain handling and transportation system in Canada (GHTS) is currently going through a major transition, both with respect to handling and transportation. Historically, the system has pitted farmers against the railways with respect to securing individual fair shares of grain revenues. But with the removal of the single desk marketing and logistics function of the Canadian Wheat Board (CWB) in late 2012, a very interesting and potentially game-changing outcome is emerging with respect to the new functionality of the grain companies in the Canadian system. While historical awareness of rail s natural monopoly position in the grain handling system has kept that sector regulated (in several ways) for close to a century, we are now starting to see the effects of a less than competitive Canadian grain handling sector on revenue sharing, along with renewed movement in the industry with respect to buyouts and potential mergers. This overview will highlight some of the changes now occurring and how they are potentially going to interact or evolve as the system moves forward. For example, the on-going regulatory instrument used to regulate grain transportation rates in Canada (called the maximum revenue entitlement (MRE) or revenue cap) is under current debate because of the introduction a few months ago of a modification to an old regulatory instrument known as extended (or reciprocal) interswitching. As opposed to the revenue cap which is a direct intervention on monopoly behavior, extended interswitching is designed to encourage the major Canadian grain carriers to compete with one another and potentially seek out new traffic (Nolan and Skotheim, 2008). But the most intriguing aspect of extended interswitching is how it might allow a major rail carrier from the U.S. to solicit grain traffic in some areas of the Canadian grain transportation system.

  10. Grain refinement of cast zinc through magnesium inoculation: Characterisation and mechanism

    SciTech Connect (OSTI)

    Liu, Zhilin; Qiu, Dong; Wang, Feng; Taylor, John A.; Zhang, Mingxing

    2015-08-15

    It was previously found that peritectic-forming solutes are more favourable for the grain refinement of cast Al alloys than eutectic-forming solutes. In this work, we report that the eutectic-forming solute, Mg, can also significantly grain refine cast Zn. Differential thermal analysis (DTA) of a Zn–Mg alloy, in which efficient grain refinement occurred, evidenced an unexpected peak that appeared before the nucleation of η-Zn grains on the DTA spectrum. Based on extensive examination using X-ray diffraction, high resolution SEM and EDS, it was found that: (a) some faceted Zn–Mg intermetallic particles were reproducibly observed; (b) the particles were located at or near grain centres; (c) the atomic ratio of Mg to Zn in the intermetallic compound was determined to be around 1/2. Using tilting selected area diffraction (SAD) and convergent beam Kikuchi line diffraction pattern (CBKLDP) techniques, these faceted particles were identified as MgZn{sub 2} and an orientation relationship between such grain-centred MgZn{sub 2} particles and the η-Zn matrix was determined. Hence, the unexpected peak on the DTA spectrum is believed to correspond to the formation of MgZn{sub 2} particles, which act as effective heterogeneous nucleation sites in the alloy. Together with the effect of Mg solute on restricting grain growth, such heterogeneous nucleation is cooperatively responsible for the grain size reduction in Zn–Mg alloys. - Highlights: • A new eutectic-based grain refiner for the cast Zn was found. • The formation process of an intermetallic compound (MgZn{sub 2}) was characterised. • MgZn{sub 2} can act as potent heterogeneous nucleation sites above the liquidus. • A new OR between MgZn{sub 2} and η-Zn was determined using the CBKLDP technique.

  11. Grain Handling and Transportation Policy in Canada: Implications for the United States

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

    Nolan, James; Peterson, Steven K

    2015-08-01

    The grain handling and transportation system in Canada (GHTS) is currently going through a major transition, both with respect to handling and transportation. Historically, the system has pitted farmers against the railways with respect to securing individual fair shares of grain revenues. But with the removal of the single desk marketing and logistics function of the Canadian Wheat Board (CWB) in late 2012, a very interesting and potentially game-changing outcome is emerging with respect to the new functionality of the grain companies in the Canadian system. While historical awareness of rail s natural monopoly position in the grain handling systemmore » has kept that sector regulated (in several ways) for close to a century, we are now starting to see the effects of a less than competitive Canadian grain handling sector on revenue sharing, along with renewed movement in the industry with respect to buyouts and potential mergers. This overview will highlight some of the changes now occurring and how they are potentially going to interact or evolve as the system moves forward. For example, the on-going regulatory instrument used to regulate grain transportation rates in Canada (called the maximum revenue entitlement (MRE) or revenue cap) is under current debate because of the introduction a few months ago of a modification to an old regulatory instrument known as extended (or reciprocal) interswitching. As opposed to the revenue cap which is a direct intervention on monopoly behavior, extended interswitching is designed to encourage the major Canadian grain carriers to compete with one another and potentially seek out new traffic (Nolan and Skotheim, 2008). But the most intriguing aspect of extended interswitching is how it might allow a major rail carrier from the U.S. to solicit grain traffic in some areas of the Canadian grain transportation system.« less

  12. Irradiation behaviour of the large grained UO{sub 2} fuel pellet in the transient conditions

    SciTech Connect (OSTI)

    Kosaka, Yuji; Watanabe, Seiichi; Arakawa, Yasushi

    2007-07-01

    In order to achieve a high duty fuel rod design, it is the key issue to suppress the fission gas release from the view point of the fuel rod inner pressure design. The large grain UO{sub 2} pellet is one of the candidates to meet such a requirement by reducing the fission gas release especially at high power and/or high burnup. We have demonstrated the fuel performance of the large grain pellet in the PWR irradiation conditions, which was fabricated with no additive but with active UO{sub 2} powder through the conventional pelletizing process for the normal grain size pellet. According to the mechanism of the fission gas retention, there may be a concern about the larger gas bubble swelling of the large grain pellet at the power transient conditions which may increase the potential of the PCMI failure. In this paper, we focus on the differences of the dimensional change in comparison among the pellets with the different grain sizes at the power transient conditions. The power ramp tests were carried out on the high burnup fuel rods of normal and large grain pellet with no additive, which had been irradiated in the PWR conditions up to around 60 GWd/t at peak position. The detailed PIE results revealed that the volume increment due to the power ramp clearly showed the dependence on the grain size as well as the fission gas release and suggested that the larger grain with no additive may suppress the gas bubble swelling at the power transient conditions. According to the experimental results, it is concluded that the large grain pellet with no additive does not deteriorate the irradiation performance during the power transient conditions from the view point of the gas bubble swelling. (authors)

  13. SULFUR ISOTOPIC COMPOSITIONS OF SUBMICROMETER SiC GRAINS FROM THE MURCHISON METEORITE

    SciTech Connect (OSTI)

    Xu, Yuchen; Zinner, Ernst; Gallino, Roberto; Heger, Alexander; Pignatari, Marco; Lin, Yangting

    2015-02-01

    We report C, Si, N, S, Mg-Al, and Ca-Ti isotopic compositions of presolar silicon carbide (SiC) grains from the SiC-rich KJE size fraction (0.5-0.8 μm) of the Murchison meteorite. One thousand one hundred thirteen SiC grains were identified based on their C and Si isotopic ratios. Mainstream, AB, C, X, Y, and Z subtypes of SiC, and X-type silicon nitride (Si{sub 3}N{sub 4}) account for 81.4%, 5.7%, 0.1%, 1.5%, 5.8%, 4.9%, and 0.4%, respectively. Twenty-five grains with unusual Si isotopic ratios, including one C grain, 16 X grains, 1 Y grain, 5 Z grains, and 2 X-type Si{sub 3}N{sub 4} grains were selected for N, S, Mg-Al, and Ca-Ti isotopic analysis. The C grain is highly enriched in {sup 29}Si and {sup 30}Si (δ{sup 29}Si = 1345‰ ± 19‰, δ{sup 30}Si = 1272‰ ± 19‰). It has a huge {sup 32}S excess, larger than any seen before, and larger than that predicted for the Si/S supernova (SN) zone, providing evidence against the elemental fractionation model by Hoppe et al. Two SN models investigated here present a more satisfying explanation in terms of a radiogenic origin of {sup 32}S from the decay of short-lived {sup 32}Si (τ{sub 1/2} = 153 yr). Silicon-32 as well as {sup 29}Si and {sup 30}Si can be produced in SNe by short neutron bursts; evidence for initial {sup 44}Ti (τ{sub 1/2} = 60 yr) in the C grain is additional evidence for an SN origin. The X grains have marginal {sup 32}S excesses, much smaller than expected from their large {sup 28}Si excesses. Similarly, the Y and Z grains do not show the S-isotopic anomalies expected from their large Si isotopic anomalies. Low intrinsic S contents and contamination with isotopically normal S are the most likely explanations.

  14. Crystallographic Characteristics of Grain Boundaries in Dense Yttria-Stabilized Zirconia

    SciTech Connect (OSTI)

    Lam Helmick; Shen J. Dillon; Kirk Gerdes; Randall Gemmen; Gregory S. Rohrer; Sridhar Seetharaman; Paul A. Salvador

    2010-04-01

    Grain-boundary plane, misorientation angle, grain size, and grain-boundary energy distributions were quantified using electron backscatter diffraction data for dense polycrystalline yttria-stabilized zirconia, to understand interfacial crystallography in solid oxide fuel cells. Tape-cast samples were sintered at 14501C for 4 h and annealed for at least 100 h between 8001C and 16501C. Distributions obtained from both three-dimensional (3D) reconstructions and stereological analyses of 2D sections demonstrated that the (100) boundary planes {(111)} have relative areas larger {smaller} than expected in a random distribution, and that the boundary plane distribution is inversely correlated to the boundary energy distribution.

  15. Categorical Exclusion Determinations: Advanced Technology Vehicles...

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

    Reequipping and Engineering CX(s) Applied: B1.31, B5.1 Date: 09062011 ... Aptera All-Electric and Hybrid Electric Vehicles CX(s) Applied: B1.31, B5.1 Date: 0620...

  16. Categorical Exclusion Determinations: Western Area PowerAdministratio...

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

    Reconstruction of the V.T. Hanlon Substation CX(s) Applied: B4.11 Date: 03232015 ... Reconstruction of the V.T. Hanlon Substation CX(s) Applied: B4.11 Date: 03232015 ...

  17. Nucleation and Growth of Crystalline Grains in RF-Sputtered TiO2Films

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

    Johnson, J. C.; Ahrenkiel, S. P.; Dutta, P.; Bommisetty, V. R.

    2009-01-01

    AmorphousTiO2thin films were radio frequency sputtered onto siliconmonoxide and carbon support films on molybdenum transmission electron microscope (TEM) grids and observed during in situ annealing in a TEM heating stage at250?C. The evolution of crystallization is consistent with a classical model of homogeneous nucleation and isotropic grain growth. The two-dimensional grain morphology of the TEM foil allowed straightforward recognition of amorphous and crystallized regions of the films, for measurement of crystalline volume fraction and grain number density. By assuming that the kinetic parameters remain constant beyond the onset of crystallization, the final average grain size was computed, using an analyticalmoreextrapolation to the fully crystallized state. Electron diffraction reveals a predominance of the anatase crystallographic phase.less

  18. Characterization of Large Grain Nb Ingot Microstructure Using EBSP Mapping and Laue Camera Methods

    SciTech Connect (OSTI)

    Kang Di; Baars, Derek C.; Bieler, Thomas R.; Compton, Chris C.

    2011-03-31

    Large grain/single crystal Nb is currently being examined for fabricating superconducting radiofrequency (SRF) cavities as an alternative to using rolled sheet. Three ingot slices from different suppliers have been characterized and are compared. It is desirable to know the grain orientations of an ingot slice before fabrication. Characterization of an ingot slice has been done using electron backscattered pattern (EBSP) orientation imaging microscopy (OIM), which requires cutting out pieces from the slice, a destructive technique. Use of a Laue camera allows nondestructive characterization of grain orientations. The OIM method was used to examine ingot slices from CBMM and Ningxia, while the Laue method was used to examine a Heraeus ingot slice. The three ingot slices are compared in terms of their crystal orientations and grain boundary misorientations, indicating no obvious commonalities. The Laue method has practical advantages over OIM for evaluating ingot slices during the manufacturing process.

  19. Nucleation and Growth of Crystalline Grains in RF-Sputtered TiO 2 Films

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

    Johnson, J. C.; Ahrenkiel, S. P.; Dutta, P.; Bommisetty, V. R.

    2009-01-01

    Amore » morphous TiO 2 thin films were radio frequency sputtered onto siliconmonoxide and carbon support films on molybdenum transmission electron microscope (TEM) grids and observed during in situ annealing in a TEM heating stage at 250 ∘ C. The evolution of crystallization is consistent with a classical model of homogeneous nucleation and isotropic grain growth. The two-dimensional grain morphology of the TEM foil allowed straightforward recognition of amorphous and crystallized regions of the films, for measurement of crystalline volume fraction and grain number density. By assuming that the kinetic parameters remain constant beyond the onset of crystallization, the final average grain size was computed, using an analytical extrapolation to the fully crystallized state. Electron diffraction reveals a predominance of the anatase crystallographic phase.« less

  20. Grain refinement of permanent mold cast copper base alloys. Final report

    SciTech Connect (OSTI)

    Sadayappan, M.; Thomson, J. P.; Elboujdaini, M.; Gu, G. Ping; Sahoo, M.

    2004-04-29

    Grain refinement behavior of copper alloys cast in permanent molds was investigated. This is one of the least studied subjects in copper alloy castings. Grain refinement is not widely practiced for leaded copper alloys cast in sand molds. Aluminum bronzes and high strength yellow brasses, cast in sand and permanent molds, were usually fine grained due to the presence of more than 2% iron. Grain refinement of the most common permanent mold casting alloys, leaded yellow brass and its lead-free replacement EnviroBrass III, is not universally accepted due to the perceived problem of hard spots in finished castings and for the same reason these alloys contain very low amounts of iron. The yellow brasses and Cu-Si alloys are gaining popularity in North America due to their low lead content and amenability for permanent mold casting. These alloys are prone to hot tearing in permanent mold casting. Grain refinement is one of the solutions for reducing this problem. However, to use this technique it is necessary to understand the mechanism of grain refinement and other issues involved in the process. The following issues were studied during this three year project funded by the US Department of Energy and the copper casting industry: (1) Effect of alloying additions on the grain size of Cu-Zn alloys and their interaction with grain refiners; (2) Effect of two grain refining elements, boron and zirconium, on the grain size of four copper alloys, yellow brass, EnviroBrass II, silicon brass and silicon bronze and the duration of their effect (fading); (3) Prediction of grain refinement using cooling curve analysis and use of this method as an on-line quality control tool; (4) Hard spot formation in yellow brass and EnviroBrass due to grain refinement; (5) Corrosion resistance of the grain refined alloys; (6) Transfer the technology to permanent mold casting foundries; It was found that alloying elements such as tin and zinc do not change the grain size of Cu-Zn alloys

  1. A little drop will do it: Tiny grains of lithium can dramatically...

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

    A little drop will do it: Tiny grains of lithium can dramatically improve the performance ... Right: Cross-section of plasma in which lithium has turned the emitted light green. ...

  2. A little drop will do it: Tiny grains of lithium can dramatically...

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

    A little drop will do it: Tiny grains of lithium can dramatically improve the performance ... Right, Cross-section of plasma in which lithium has turned the emitted light green. ...

  3. Nondestructive method and apparatus for imaging grains in curved surfaces of polycrystalline articles

    DOE Patents [OSTI]

    Carpenter, Donald A.

    1995-01-01

    A nondestructive method, and associated apparatus, are provided for determining the grain flow of the grains in a convex curved, textured polycrystalline surface. The convex, curved surface of a polycrystalline article is aligned in a horizontal x-ray diffractometer and a monochromatic, converging x-ray beam is directed onto the curved surface of the polycrystalline article so that the converging x-ray beam is diffracted by crystallographic planes of the grains in the polycrystalline article. The diffracted x-ray beam is caused to pass through a set of horizontal, parallel slits to limit the height of the beam and thereafter. The linear intensity of the diffracted x-ray is measured, using a linear position sensitive proportional counter, as a function of position in a direction orthogonal to the counter so as to generate two dimensional data. An image of the grains in the curved surface of the polycrystalline article is provided based on the two-dimensional data.

  4. Intrinsic fluctuations of dust grain charge in multi-component plasmas

    SciTech Connect (OSTI)

    Shotorban, B.

    2014-03-15

    A master equation is formulated to model the states of the grain charge in a general multi-component plasma, where there are electrons and various kinds of positive or negative ions that are singly or multiply charged. A Fokker-Planck equation is developed from the master equation through the system-size expansion method. The Fokker-Planck equation has a Gaussian solution with a mean and variance governed by two initial-value differential equations involving the rates of the attachment of ions and electrons to the dust grain. Also, a Langevin equation and a discrete stochastic method are developed to model the time variation of the grain charge. Grain charging in a plasma containing electrons, protons, and alpha particles with Maxwellian distributions is considered as an example problem. The Gaussian solution is in very good agreement with the master equation solution numerically obtained for this problem.

  5. 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.

  6. Method of applying coatings to substrates

    DOE Patents [OSTI]

    Hendricks, Charles D.

    1991-01-01

    A method for applying novel coatings to substrates is provided. The ends of multiplicity of rods of different materials are melted by focused beams of laser light. Individual electric fields are applied to each of the molten rod ends, thereby ejecting charged particles that include droplets, atomic clusters, molecules, and atoms. The charged particles are separately transported, by the accelerations provided by electric potentials produced by an electrode structure, to substrates where they combine and form the coatings. Layered and thickness graded coatings comprised of hithereto unavailable compositions, are provided.

  7. Determination of surface recombination velocity at a grain boundary using electron-beam-induced current

    SciTech Connect (OSTI)

    Burk, D.E.; Kanner, S.; Muyshondt, J.E.; Shaulis, D.S.; Russell, P.E.

    1983-01-01

    In order to determine the surface recombination velocity at a grain boundary surface, computer-aided calculations of the theoretical electron-beam-induced-current response to a point source excitation are fitted to data taken as a function of distance from the grain boundary. It is demonstrated that the data is in good agreement with this theoretical response for distances greater than two maximum penetration depths of the incident electron beam.

  8. Ultra-Fine Grain Foils and Sheets by Large-Strain Extrusion Machining |

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

    Department of Energy Fine Grain Foils and Sheets by Large-Strain Extrusion Machining Ultra-Fine Grain Foils and Sheets by Large-Strain Extrusion Machining 2011 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation lm034_rohatgi_2011_o.pdf (1.05 MB) More Documents & Publications Vehicle Technologies Office: 2010 Lightweight Materials R&D Annual Progress Report Nanostructured Materials by Machining 2011 Annual Progress Report for

  9. Apparatus and method for the determination of grain size in thin films

    DOE Patents [OSTI]

    Maris, Humphrey J

    2001-01-01

    A method for the determination of grain size in a thin film sample comprising the steps of measuring first and second changes in the optical response of the thin film, comparing the first and second changes to find the attenuation of a propagating disturbance in the film and associating the attenuation of the disturbance to the grain size of the film. The second change in optical response is time delayed from the first change in optical response.

  10. Apparatus and method for the determination of grain size in thin films

    DOE Patents [OSTI]

    Maris, Humphrey J

    2000-01-01

    A method for the determination of grain size in a thin film sample comprising the steps of measuring first and second changes in the optical response of the thin film, comparing the first and second changes to find the attenuation of a propagating disturbance in the film and associating the attenuation of the disturbance to the grain size of the film. The second change in optical response is time delayed from the first change in optical response.

  11. Calculation of grain boundary normals directly from 3D microstructure images

    SciTech Connect (OSTI)

    Lieberman, E. J.; Rollett, A. D.; Lebensohn, R. A.; Kober, E. M.

    2015-03-11

    The determination of grain boundary normals is an integral part of the characterization of grain boundaries in polycrystalline materials. These normal vectors are difficult to quantify due to the discretized nature of available microstructure characterization techniques. The most common method to determine grain boundary normals is by generating a surface mesh from an image of the microstructure, but this process can be slow, and is subject to smoothing issues. A new technique is proposed, utilizing first order Cartesian moments of binary indicator functions, to determine grain boundary normals directly from a voxelized microstructure image. In order to validate the accuracy of this technique, the surface normals obtained by the proposed method are compared to those generated by a surface meshing algorithm. Specifically, the local divergence between the surface normals obtained by different variants of the proposed technique and those generated from a surface mesh of a synthetic microstructure constructed using a marching cubes algorithm followed by Laplacian smoothing is quantified. Next, surface normals obtained with the proposed method from a measured 3D microstructure image of a Ni polycrystal are used to generate grain boundary character distributions (GBCD) for Σ3 and Σ9 boundaries, and compared to the GBCD generated using a surface mesh obtained from the same image. Finally, the results show that the proposed technique is an efficient and accurate method to determine voxelized fields of grain boundary normals.

  12. Multi analysis of the effect of grain size on the dynamic behavior of microalloyed steels

    SciTech Connect (OSTI)

    Zurek, Anna K; Muszka, K; Majta, J; Wielgus, M

    2009-01-01

    This study presents some aspects of multiscale analysis and modeling of variously structured materials behavior in quasi-static and dynamic loading conditions. The investigation was performed for two different materials of common application: high strength microalloyed steel (HSLA, X65), and as a reference more ductile material, Ti-IF steel. The MaxStrain technique and one pass hot rolling processes were used to produce ultrafine-grained and coarse-grained materials. The efficiency and inhomogeneity of microstructure refinement were examined because of their important role in work hardening and the initiation and growth of fracture under tensile stresses. It is shown that the combination of microstructures characterized by their different features contributes to the dynamic behavior and final properties of the product. In particular, the role of solute segregation at grain boundaries as well as precipitation of carbonitrides in coarse and ultrafine-grained structures is assessed. The predicted mechanical response of ultrafine-grained structures, using modified KHL model is in reasonable agreement with the experiments. This is a result of proper representation of the role of dislocation structure and the grain boundary and their multiscale effects included in this model.

  13. Enhancing grain boundary ionic conductivity in mixed ionic–electronic conductors

    SciTech Connect (OSTI)

    Lin, Ye; Fang, Shumin; Su, Dong; Brinkman, Kyle S.; Chen, Fanglin

    2015-04-10

    Mixed ionic–electronic conductors are widely used in devices for energy conversion and storage. Grain boundaries in these materials have nanoscale spatial dimensions, which can generate substantial resistance to ionic transport due to dopant segregation. Here, we report the concept of targeted phase formation in a Ce0.8Gd0.2O2₋δ–CoFe2O4 composite that serves to enhance the grain boundary ionic conductivity. Using transmission electron microscopy and spectroscopy approaches, we probe the grain boundary charge distribution and chemical environments altered by the phase reaction between the two constituents. The formation of an emergent phase successfully avoids segregation of the Gd dopant and depletion of oxygen vacancies at the Ce0.8Gd0.2O2₋δ–Ce0.8Gd0.2O2₋δ grain boundary. This results in superior grain boundary ionic conductivity as demonstrated by the enhanced oxygen permeation flux. Lastly, this work illustrates the control of mesoscale level transport properties in mixed ionic–electronic conductor composites through processing induced modifications of the grain boundary defect distribution.

  14. Calculation of grain boundary normals directly from 3D microstructure images

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

    Lieberman, E. J.; Rollett, A. D.; Lebensohn, R. A.; Kober, E. M.

    2015-03-11

    The determination of grain boundary normals is an integral part of the characterization of grain boundaries in polycrystalline materials. These normal vectors are difficult to quantify due to the discretized nature of available microstructure characterization techniques. The most common method to determine grain boundary normals is by generating a surface mesh from an image of the microstructure, but this process can be slow, and is subject to smoothing issues. A new technique is proposed, utilizing first order Cartesian moments of binary indicator functions, to determine grain boundary normals directly from a voxelized microstructure image. In order to validate the accuracymore » of this technique, the surface normals obtained by the proposed method are compared to those generated by a surface meshing algorithm. Specifically, the local divergence between the surface normals obtained by different variants of the proposed technique and those generated from a surface mesh of a synthetic microstructure constructed using a marching cubes algorithm followed by Laplacian smoothing is quantified. Next, surface normals obtained with the proposed method from a measured 3D microstructure image of a Ni polycrystal are used to generate grain boundary character distributions (GBCD) for Σ3 and Σ9 boundaries, and compared to the GBCD generated using a surface mesh obtained from the same image. Finally, the results show that the proposed technique is an efficient and accurate method to determine voxelized fields of grain boundary normals.« less

  15. Effect of Grain Boundaries on Krypton Segregation Behavior in Irradiated Uranium Dioxide

    SciTech Connect (OSTI)

    Valderrama, Billy; He, Lingfeng; Henderson, Hunter B.; Pakarinen, Janne; Jaques, Brian; Gan, Jian; Butt, Darryl P.; Allen, Todd R.; Manuel, Michele V.

    2014-11-01

    Fission products, such as krypton (Kr), are known to be insoluble within UO2, segregating towards grain boundaries, eventually leading to a lowering of the thermal conductivity and fuel swelling. Recent computational studies have identified that differences in grain boundary structure have a significant effect on the segregation behavior of fission products. However, experimental work supporting these simulations is lacking. Atom probe tomography was used to measure the Kr distribution across grain boundaries in UO2. Polycrystalline depleted-UO2 samples was irradiated with 0.7 and 1.8 MeV Kr-ions and annealed to 1000C, 1300C, and 1600C for 1 hour to produce a Kr-bubble dominated microstructure. The results of this work indicate a strong dependence of Kr concentration as a function of grain boundary structure. Temperature also influences grain boundary chemistry with greater Kr concentration evident at higher temperatures, resulting in a reduced Kr concentration in the bulk. While Kr migration is active at elevated temperatures, no changes in grain size or texture were observed in the irradiated UO2 samples.

  16. Enhancing grain boundary ionic conductivity in mixed ionic–electronic conductors

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

    Lin, Ye; Fang, Shumin; Su, Dong; Brinkman, Kyle S.; Chen, Fanglin

    2015-04-10

    Mixed ionic–electronic conductors are widely used in devices for energy conversion and storage. Grain boundaries in these materials have nanoscale spatial dimensions, which can generate substantial resistance to ionic transport due to dopant segregation. Here, we report the concept of targeted phase formation in a Ce0.8Gd0.2O2₋δ–CoFe2O4 composite that serves to enhance the grain boundary ionic conductivity. Using transmission electron microscopy and spectroscopy approaches, we probe the grain boundary charge distribution and chemical environments altered by the phase reaction between the two constituents. The formation of an emergent phase successfully avoids segregation of the Gd dopant and depletion of oxygen vacanciesmore » at the Ce0.8Gd0.2O2₋δ–Ce0.8Gd0.2O2₋δ grain boundary. This results in superior grain boundary ionic conductivity as demonstrated by the enhanced oxygen permeation flux. Lastly, this work illustrates the control of mesoscale level transport properties in mixed ionic–electronic conductor composites through processing induced modifications of the grain boundary defect distribution.« less

  17. How to Apply for Senior Executive positions

    Broader source: Energy.gov [DOE]

    To apply vacancies for SENIOR EXECUTIVE SERVICE (SES) , SENIOR LEVEL (SL), SCIENTIFIC AND PROFESSIONAL (ST) positions within the Department of Energy please visit OPM's website: http://www.usajobs.gov. From this site, you may download announcements for vacancies of interest to you.

  18. (Applied mass spectrometry in the health sciences)

    SciTech Connect (OSTI)

    Glish, G.L.

    1990-05-03

    The traveler attended the 2nd International Symposium on Applied Mass Spectrometry in the Health Sciences and presented and invited paper. Papers presented that were of interest to ORNL mass spectrometry programs involved ionization of large molecules by electrospray and laser desorption. Other papers of interest included applications of MS/MS for structural elucidation and new instrumentation.

  19. Uniform insulation applied-B ion diode

    DOE Patents [OSTI]

    Seidel, David B.; Slutz, Stephen A.

    1988-01-01

    An applied-B field extraction ion diode has uniform insulation over an anode surface for increased efficiency. When the uniform insulation is accomplished with anode coils, and a charge-exchange foil is properly placed, the ions may be focused at a point on the z axis.

  20. Direct observation of electron emission from the grain boundaries of chemical vapour deposition diamond films by tunneling atomic force microscopy

    SciTech Connect (OSTI)

    Chatterjee, Vijay; Harniman, Robert; May, Paul W.; Barhai, P. K.

    2014-04-28

    The emission of electrons from diamond in vacuum occurs readily as a result of the negative electron affinity of the hydrogenated surface due to features with nanoscale dimensions, which can concentrate electric fields high enough to induce electron emission from them. Electrons can be emitted as a result of an applied electric field (field emission) with possible uses in displays or cold-cathode devices. Alternatively, electrons can be emitted simply by heating the diamond in vacuum to temperatures as low as 350?C (thermionic emission), and this may find applications in solar energy generation or energy harvesting devices. Electron emission studies usually use doped polycrystalline diamond films deposited onto Si or metallic substrates by chemical vapor deposition, and these films have a rough, faceted morphology on the micron or nanometer scale. Electron emission is often improved by patterning the diamond surface into sharp points or needles, the idea being that the field lines concentrate at the points lowering the barrier for electron emission. However, there is little direct evidence that electrons are emitted from these sharp tips. The few reports in the literature that have studied the emission sites suggested that emission came from the grain boundaries and not the protruding regions. We now present direct observation of the emission sites over a large area of polycrystalline diamond using tunneling atomic force microscopy. We confirm that the emission current comes mostly from the grain boundaries, which is consistent with a model for emission in which the non-diamond phase is the source of electrons with a threshold that is determined by the surrounding hydrogenated diamond surface.

  1. Applied Mathematics Conferences and Workshops | U.S. DOE Office...

    Office of Science (SC) Website

    ASCR Home About Research Applied Mathematics Applied Mathematics Conferences And Workshops Computer Science Next Generation Networking Scientific Discovery through Advanced ...

  2. Applied Cathode Enhancement and Robustness Technologies (ACERT)

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

    Accelerators, Electrodynamics » ACERT Applied Cathode Enhancement and Robustness Technologies (ACERT) World leading experts from fields of accelerator design & testing, chemical synthesis of nanomaterials, and shielding application of nanomaterials. thumbnail of Nathan Moody Nathan Moody Principal Investigator (PI) Email ACERT Logo Team Our project team, a part of Los Alamos National Laboratory (LANL) comprised of world leading experts from fields of accelerator design & testing,

  3. Summer of Applied Geophysical Experience Reading List

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

    Geophysical Experience Reading List Summer of Applied Geophysical Experience Reading List A National Science Foundation Research Experiences for Undergraduates program Contacts Institute Director Reinhard Friedel-Los Alamos SAGE Co-Director W. Scott Baldridge-Los Alamos SAGE Co-Director Larry Braile-Purdue University Professional Staff Assistant Georgia Sanchez (505) 665-0855 Keller, R., Khan, M. A., Morgan, P., et al., 1991, A Comparative Study of the Rio Grande and Kenya rifts, Tectonophys.,

  4. Drying grain using crop residence as a fuel source. Final technical report

    SciTech Connect (OSTI)

    Hammond, C.

    1982-08-01

    An indirectly-fired biomass fueled furnace was evaluated to determine the feasibility of drying grain using crop residues as a fuel source. The furnace efficiency and total heat delivery were determined. Funds for this project were provided by the Department of Energy through an appropriate technology grant. Stalks and residue were harvested in large round bales using conventional hay-handling equipment available on most farms. Calorimeter tests were made to determine the heat content available in various residues prior to combustion in the Stormor Bio Mass Heat System. This allowed total efficiency measurements by comparing total heat available and total heat delivered to the grain dryer. For example, a bale of cotton stalks returned over 60 percent of the useable heat for an efficiency of 63.7 percent. Other residues such as corn stalks gave slightly lower efficiency but clearly showed that adequate heat could be obtained to dry grain using heated air and no petroleum fuels. The air from the furnace went through an air-to-air heat exchanger to prevent contamination of the grain from smoke and combustion by-products. Although reducing efficiency somewhat, the heat exchanger allows grain or other materials such as peanuts to be dried for human consumption. Some evidence of overheating of the firebox doors was observed which led to some warping of the doors. This warping subsequently made temperature control more difficult, since the air supply and burn rate are directly related. Air temperatures of up to 160/sup 0/F were measured. The results show that biomass combustion as a fuel source to dry grain is possible with fuel savings of about ten cents per bushel at current fuel prices. Thus, the cost of the biomass burner could be recovered in drying some 70,000 bushels of grain. 5 figures, 5 tables.

  5. LUNAR DUST GRAIN CHARGING BY ELECTRON IMPACT: COMPLEX ROLE OF SECONDARY ELECTRON EMISSIONS IN SPACE ENVIRONMENTS

    SciTech Connect (OSTI)

    Abbas, M. M.; Craven, P. D.; LeClair, A. C.; Spann, J. F.; Tankosic, D.

    2010-08-01

    Dust grains in various astrophysical environments are generally charged electrostatically by photoelectric emissions with radiation from nearby sources, or by electron/ion collisions by sticking or secondary electron emissions (SEEs). The high vacuum environment on the lunar surface leads to some unusual physical and dynamical phenomena involving dust grains with high adhesive characteristics, and levitation and transportation over long distances. Knowledge of the dust grain charges and equilibrium potentials is important for understanding a variety of physical and dynamical processes in the interstellar medium, and heliospheric, interplanetary/planetary, and lunar environments. It has been well recognized that the charging properties of individual micron-/submicron-size dust grains are expected to be substantially different from the corresponding values for bulk materials. In this paper, we present experimental results on the charging of individual 0.2-13 {mu}m size dust grains selected from Apollo 11 and 17 dust samples, and spherical silica particles by exposing them to mono-energetic electron beams in the 10-200 eV energy range. The dust charging process by electron impact involving the SEEs discussed is found to be a complex charging phenomenon with strong particle size dependence. The measurements indicate substantial differences between the polarity and magnitude of the dust charging rates of individual small-size dust grains, and the measurements and model properties of corresponding bulk materials. A more comprehensive plan of measurements of the charging properties of individual dust grains for developing a database for realistic models of dust charging in astrophysical and lunar environments is in progress.

  6. Composition and grain size effects on the structural and mechanical properties of CuZr nanoglasses

    SciTech Connect (OSTI)

    Adibi, Sara [Institute of High Performance Computing, A*STAR, 138632 Singapore (Singapore); Mechanical Engineering Department, National University of Singapore, 117576 Singapore (Singapore); Branicio, Paulo S., E-mail: branicio@ihpc.a-star.edu.sg; Zhang, Yong-Wei [Institute of High Performance Computing, A*STAR, 138632 Singapore (Singapore); Joshi, Shailendra P., E-mail: Shailendra@nus.edu.sg [Mechanical Engineering Department, National University of Singapore, 117576 Singapore (Singapore)

    2014-07-28

    Nanoglasses (NGs), metallic glasses (MGs) with a nanoscale grain structure, have the potential to considerably increase the ductility of traditional MGs while retaining their outstanding mechanical properties. We investigated the effects of composition on the structural and mechanical properties of CuZr NG films with grain sizes between 3 to 15?nm using molecular dynamics simulations. Results indicate a transition from localized shear banding to homogeneous superplastic flow with decreasing grain size, although the critical average grain size depends on composition: 5?nm for Cu{sub 36}Zr{sub 64} and 3?nm for Cu{sub 64}Zr{sub 36}. The flow stress of the superplastic NG at different compositions follows the trend of the yield stress of the parent MG, i.e., Cu{sub 36}Zr{sub 64} yield/flow stress: 2.54?GPa/1.29?GPa and Cu{sub 64}Zr{sub 36} yield/flow stress: 3.57?GPa /1.58?GPa. Structural analysis indicates that the differences in mechanical behavior as a function of composition are rooted at the distinct statistics of prominent atomic Voronoi polyhedra. The mechanical behavior of NGs is also affected by the grain boundary thickness and the fraction of atoms at interfaces for a given average grain size. The results suggest that the composition dependence of the mechanical behavior of NGs follows that of their parent MGs, e.g., a stronger MG will generate a stronger NG, while the intrinsic tendency for homogeneous deformation occurring at small grain size is not affected by composition.

  7. Multiscale simulation of xenon diffusion and grain boundary segregation in UO₂

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

    Andersson, David A.; Tonks, Michael R.; Casillas, Luis; Vyas, Shyam; Nerikar, Pankaj; Uberuaga, Blas P.; Stanek, Christopher R.

    2015-07-01

    In light water reactor fuel, gaseous fission products segregate to grain boundaries, resulting in the nucleation and growth of large intergranular fission gas bubbles. The segregation rate is controlled by diffusion of fission gas atoms through the grains and interaction with the boundaries. Based on the mechanisms established from earlier density functional theory (DFT) and empirical potential calculations, diffusion models for xenon (Xe), uranium (U) vacancies and U interstitials in UO₂ have been derived for both intrinsic (no irradiation) and irradiation conditions. Segregation of Xe to grain boundaries is described by combining the bulk diffusion model with a model formore » the interaction between Xe atoms and three different grain boundaries in UO₂ (Σ5 tilt, Σ5 twist and a high angle random boundary), as derived from atomistic calculations. The present model does not attempt to capture nucleation or growth of fission gas bubbles at the grain boundaries. The point defect and Xe diffusion and segregation models are implemented in the MARMOT phase field code, which is used to calculate effective Xe and U diffusivities as well as to simulate Xe redistribution for a few simple microstructures.« less

  8. Charging of dust grains in a nonequilibrium plasma of a stratified glow discharge

    SciTech Connect (OSTI)

    Sukhinin, G. I.; Fedoseev, A. V.

    2007-12-15

    A theoretical model is presented that describes the charging of dust grains in the positive plasma column of a stratified glow dc discharge in argon. A one-dimensional self-consistent model is used to obtain axial profiles of the electric field, as well as the electron energy distribution function along the axis of the discharge tube. Radial profiles of the electric field are determined in the ambipolar diffusion approximation. It is assumed that, in the radial direction, the electron distribution function depends only on the total electron energy. Two-dimensional distributions of the discharge plasma parameters are calculated and used to determine the potential and charge of a test dust grain at a certain point within the discharge and the electrostatic forces acting on it. It is shown that the grain charge distribution depends strongly on the nonequilibrium electron distribution function and on the nonuniform distribution of the electric field in a stratified glow discharge. A discussion is presented on the suspension of dust grains, the separation of grains by size in the discharge striations, and a possible mechanism for the onset of vortex dust motion at the edge of a dust cloud.

  9. Re-examination of laminated osagid grains from a Lower Permian midcontinent limestone

    SciTech Connect (OSTI)

    Toomey, D.F. ); Lowenstein, T.K. ); Mitchell, R.W. )

    1989-02-01

    Osagid grains from the Lower Permian (Wolfcamp) Winfield Limestone of southern Kansas-northern Oklahoma are small accretionary structures formed in shallow, well-agitated waters on a carbonate shelf. Osagid grains consist of small shell fragments serving as nuclei, which during formation were rolled about and coated by roughly concentric algal-foraminiferal laminations. Their shapes range from round to subround to elliptical, dependent primarily on the size and shape of the shell nuclei. Grain laminae are dark micrite which in places contain tubules of the blue-green alga Girvanella, and/or various encrusting foraminifers, with either calcareous or agglutinated tests, or intermixtures of all three components. Formic acid etching of individual osagid grains indicates that the agglutinated foraminiferal component is of greater importance than previously believed and can be their principal biotic component. Girvanella tubules appear to be most susceptible to diagenetic alteration, with the end-product generally a dark, micritic groundmass of algal dust. Since these accretionary structures are not true biological species, the generic term Osagia should be dropped and these structures should be called osgid grains.

  10. Testing thermal gradient driving force for grain boundary migration using molecular dynamics simulations

    SciTech Connect (OSTI)

    Bai, Xian-Ming; Zhang, Yongfeng; Tonks, Michael R.

    2015-02-01

    Strong thermal gradients in low-thermal-conductivity ceramics may drive extended defects, such as grain boundaries and voids, to migrate in preferential directions. In this work, molecular dynamics simulations are conducted to study thermal gradient driven grain boundary migration and to verify a previously proposed thermal gradient driving force equation, using uranium dioxide as a model system. It is found that a thermal gradient drives grain boundaries to migrate up the gradient and the migration velocity increases under a constant gradient owing to the increase in mobility with temperature. Different grain boundaries migrate at very different rates due to their different intrinsic mobilities. The extracted mobilities from the thermal gradient driven simulations are compared with those calculated from two other well-established methods and good agreement between the three different methods is found, demonstrating that the theoretical equation of the thermal gradient driving force is valid, although a correction of one input parameter should be made. The discrepancy in the grain boundary mobilities between modeling and experiments is also discussed.

  11. Spatially Resolved Mapping of Electrical Conductivity around Individual Domain (Grain) Boundaries in Graphene

    SciTech Connect (OSTI)

    Li, An-Ping [ORNL; Clark, Kendal W [ORNL; Zhang, Xiaoguang [ORNL; Vlassiouk, Ivan V [ORNL; He, Guowei [Carnegie Mellon University (CMU); Feenstra, Randall [Carnegie Mellon University (CMU)

    2013-01-01

    Graphene films can now be produced on the scale of up to meters. However, all large-scale graphene films contain topological defects that can significantly affect the characteristic transport behaviors of graphene. Here, we spatially map the structures and electronic transport near specific domain and grain boundaries in graphene, and evaluate effects of different types of defect on the electronic conductivity in epitaxial graphene grown on SiC and CVD graphene on Cu subsequently transferred to a SiO2 substrate. We use a combined approach with a multi-probe scanning tunneling potentiometry to investigate both structures and transport at individual grain boundaries and domain boundaries that are defined by coalesced grains, surface steps, and changes in layer thickness. It is found that the substrate step on SiC presents a significant potential barrier for electron transport of epitaxial graphene due to the reduced charge transport from the substrate at the step edges, monolayer-bilayer boundaries exhibit a high resistivity that can change depending on directions of the current across the boundary, and the resistivity of grain boundaries changes with the transition width of the disordered region between two adjacent grains in graphene. The detailed understanding of graphene defects will provide the feedback for controlled engineering of defects in large-scale graphene films.

  12. Surface and grain boundary scattering in nanometric Cu thin films: A quantitative analysis including twin boundaries

    SciTech Connect (OSTI)

    Barmak, Katayun [Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027 and Department of Materials Science and Engineering and Materials Research Science and Engineering Center, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, Pennsylvania 15213 (United States); Darbal, Amith [Department of Materials Science and Engineering and Materials Research Science and Engineering Center, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, Pennsylvania 15213 (United States); Ganesh, Kameswaran J.; Ferreira, Paulo J. [Materials Science and Engineering, The University of Texas at Austin, 1 University Station, Austin, Texas 78712 (United States); Rickman, Jeffrey M. [Department of Materials Science and Engineering and Department of Physics, Lehigh University, Bethlehem, Pennsylvania 18015 (United States); Sun, Tik; Yao, Bo; Warren, Andrew P.; Coffey, Kevin R., E-mail: kb2612@columbia.edu [Department of Materials Science and Engineering, University of Central Florida, 4000 Central Florida Boulevard, Orlando, Florida 32816 (United States)

    2014-11-01

    The relative contributions of various defects to the measured resistivity in nanocrystalline Cu were investigated, including a quantitative account of twin-boundary scattering. It has been difficult to quantitatively assess the impact twin boundary scattering has on the classical size effect of electrical resistivity, due to limitations in characterizing twin boundaries in nanocrystalline Cu. In this study, crystal orientation maps of nanocrystalline Cu films were obtained via precession-assisted electron diffraction in the transmission electron microscope. These orientation images were used to characterize grain boundaries and to measure the average grain size of a microstructure, with and without considering twin boundaries. The results of these studies indicate that the contribution from grain-boundary scattering is the dominant factor (as compared to surface scattering) leading to enhanced resistivity. The resistivity data can be well-described by the combined FuchsSondheimer surface scattering model and MayadasShatzkes grain-boundary scattering model using Matthiessen's rule with a surface specularity coefficient of p?=?0.48 and a grain-boundary reflection coefficient of R?=?0.26.

  13. Multiscale simulation of xenon diffusion and grain boundary segregation in UO₂

    SciTech Connect (OSTI)

    Andersson, David A.; Tonks, Michael R.; Casillas, Luis; Vyas, Shyam; Nerikar, Pankaj; Uberuaga, Blas P.; Stanek, Christopher R.

    2015-07-01

    In light water reactor fuel, gaseous fission products segregate to grain boundaries, resulting in the nucleation and growth of large intergranular fission gas bubbles. The segregation rate is controlled by diffusion of fission gas atoms through the grains and interaction with the boundaries. Based on the mechanisms established from earlier density functional theory (DFT) and empirical potential calculations, diffusion models for xenon (Xe), uranium (U) vacancies and U interstitials in UO₂ have been derived for both intrinsic (no irradiation) and irradiation conditions. Segregation of Xe to grain boundaries is described by combining the bulk diffusion model with a model for the interaction between Xe atoms and three different grain boundaries in UO₂ (Σ5 tilt, Σ5 twist and a high angle random boundary), as derived from atomistic calculations. The present model does not attempt to capture nucleation or growth of fission gas bubbles at the grain boundaries. The point defect and Xe diffusion and segregation models are implemented in the MARMOT phase field code, which is used to calculate effective Xe and U diffusivities as well as to simulate Xe redistribution for a few simple microstructures.

  14. Apply for a Job | Argonne National Laboratory

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

    FAQs Answers to frequently asked questions about applying for a job at Argonne A Note About Privacy We do not ask you for personally identifiable information such as birthdate, social security number, or driver's license number. To ensure your privacy, please do not include such information in the documents that you upload to the system A Note About File Size Our application system has a file size limit of 820KB. While this is sufficient for the vast majority of documents, we have found that

  15. Exploration of the mechanisms of temperature-dependent grain boundary mobility: Search for the common origin of ultrafast grain boundary motion

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

    O’Brien, C. J.; Foiles, S. M.

    2016-04-19

    The temperature dependence of grain boundary mobility is complex, varied, and rarely fits ideal Arrhenius behavior. This work presents a series of case studies of planar grain boundaries in a model FCC system that were previously demonstrated to exhibit a variety of temperature-dependent mobility behaviors. It is demonstrated that characterization of the mobility versus temperature plots is not sufficient to predict the atomic motion mechanism of the grain boundaries. Herein, the temperature-dependent motion and atomistic motion mechanisms of planar grain boundaries are driven by a synthetic, orientation-dependent, driving force. The systems studied include CSL boundaries with Σ values of 5,more » 7, and 15, including both symmetric and asymmetric boundaries. These boundaries represent a range of temperature-dependent trends including thermally activated, antithermal, and roughening behaviors. Examining the atomic-level motion mechanisms of the thermally activated boundaries reveals that each involves a complex shuffle, and at least one atom that changes the plane it resides on. The motion mechanism of the antithermal boundary is qualitatively different and involves an in-plane coordinated shuffle that rotates atoms about a fixed atom lying on a point in the coincident site lattice. Furthermore, this provides a mechanistic reason for the observed high mobility, even at low temperatures, which is due to the low activation energy needed for such motion. However, it will be demonstrated that this mechanism is not universal, or even common, to other boundaries exhibiting non-thermally activated motion. This work concludes that no single atomic motion mechanism is sufficient to explain the existence of non-thermally activated boundary motion.« less

  16. 2009 Applied and Environmental Microbiology GRC

    SciTech Connect (OSTI)

    Nicole Dubilier

    2009-07-12

    The topic of the 2009 Gordon Conference on Applied and Environmental Microbiology is: From Single Cells to the Environment. The Conference will present and discuss cutting-edge research on applied and environmental microbiology with a focus on understanding interactions between microorganisms and the environment at levels ranging from single cells to complex communities. The Conference will feature a wide range of topics such as single cell techniques (including genomics, imaging, and NanoSIMS), microbial diversity at scales ranging from clonal to global, environmental 'meta-omics', biodegradation and bioremediation, metal - microbe interactions, animal microbiomes and symbioses. The Conference will bring together investigators who are at the forefront of their field, and will provide opportunities for junior scientists and graduate students to present their work in poster format and exchange ideas with leaders in the field. Some poster presenters will be selected for short talks. The collegial atmosphere of this Conference, with extensive discussion sessions as well as opportunities for informal gatherings in the afternoons and evenings, provides an ideal setting for scientists from different disciplines to exchange ideas, brainstorm and discuss cross-disciplinary collaborations.

  17. Process of Equiaxed Grains of RE-Al Alloy under Slope Vibration

    SciTech Connect (OSTI)

    Xie Shikun; Yi Rongxi; Pan Xiaoliang; Zheng Xiaoqiu; Guo Xiuyan [School of Engineering, Jinggangshan University, Ji'an, 343009 (China)

    2010-06-15

    A new technique using slope vibration casting process during heating and isothermal holding period to prepare Al-7Si-2RE alloy has been studied. The small, near-spherical and non-dendritic microstructure with the semi-solid processing requirements has been obtained. Experiments show that the cooling method, pouring process and the convection of melt caused by slope vibration had significant effects on the formation of near-spherical primary gains. The water-cooled copper mold casting with slope vibration at the temperature near liquidus can obtain Al-7Si-2RE alloy with small homogeneous equiaxed grains, the average grain diameter is 48.3 mum, and the average grain roundness is 1.92.

  18. Substitutional Boron in Nanodiamond, Bucky-Diamond, and Nanocrystalline Diamond Grain Boundaries

    SciTech Connect (OSTI)

    Barnard, Amanda S.; Sternberg, Michael G.

    2006-10-05

    Although boron has been known for many years to be a successful dopant in bulk diamond, efficient doping of nanocrystalline diamond with boron is still being developed. In general, the location, configuration, and bonding structure of boron in nanodiamond is still unknown, including the fundamental question of whether it is located within grains or grain boundaries of thin films and whether it is within the core or at the surface of nanoparticles. Presented here are density functional tight-binding simulations examining the configuration, potential energy surface, and electronic charge of substitutional boron in various types of nanocrystalline diamond. The results predict that boron is likely to be positioned at the surface of isolated particles and at the grain boundary of thin-film samples.

  19. CRADA 2009S001: Investigation of the Supercondcuting RF Properties of Large Grain Ingot Niobium

    SciTech Connect (OSTI)

    Grimm, Terry; Hollister, Jerry L.; Kolka, Ahren; Myneni, Ganapati Rao

    2012-12-18

    This CRADA intended to explore the properties of large grain ingot niobium by fabricating four single cell TESLA shaped accelerating cavities. Once the cavities were fabricated, SRF performance would be measured. Niowave received four discs of large grain ingot niobium from JLAB in February 2009. Niowave cut samples from each disc and tested the RRR. After the RRR was measured with disappointing results, the project lost interest. A no cost extension was signed in July 2009 to allow progress until June 2010, but ultimately no further work was accomplished by either party. No firm conclusions were drawn, as further investigations were not made. Large grain ingot niobium has shown real potential for high accelerating gradient superconducting cavities. However, this particular CRADA did not gather enough data to reach any conclusions in this regard.

  20. Identification of sub-grains and low angle boundaries beyond the angular resolution of EBSD maps

    SciTech Connect (OSTI)

    Germain, L.; Kratsch, D.; Salib, M.; Gey, N.

    2014-12-15

    A new method called ALGrId (Anti-Leak GRain IDentification) is proposed for the detection of sub-grains beyond the relative angular resolution of Electron Backscatter Diffraction maps. It does not use any additional information such as Kikuchi Pattern Quality map nor need data filtering. It uses a modified Dijkstra algorithm which seeks the continuous set of boundaries having the highest average disorientation angle. - Highlights: ALGrId is a new method to identify sub-grains and low angle boundaries in EBSD maps. Unlike classical methods, ALGrId works even beyond the relative angular resolution. If the orientation noise peaks at 0.7, ALGrid detects 0.4-boundaries correctly. In the same example, the classical algorithm identifies 1.1-boundaries only.

  1. Phosphorus removal from slow-cooled steelmaking slags: Grain size determination and liberation studies

    SciTech Connect (OSTI)

    Fregeau-Wu, E.; Iwasaki, I.

    1995-07-01

    The major obstacle in recycling steelmaking slags to the blast furnace is their phosphorus content. Removal of the phosphorus, which is primarily associated with the silicate and phosphate phases, would allow for greater recycle of these slags for their iron, manganese, and lime contents. Calculations show that separation of the silicates from the oxide phases would remove nearly 90% of the phosphorus from the slag. The variable grain size of the as-received slag made liberation by fine grinding difficult. Therefore, slow-cooling experiments were undertaken to improve the grain size distribution. The grain size distributions were determined using in-situ image analysis. The samples were ground to their apparent liberation size and high gradient magnetic separation was used to separate the magnetic oxides from the nonmagnetic silicates and phosphates. Liberation analysis and modeling was performed on selected separation products for discussion of benefication characteristics.

  2. CASL - Effect of Grain Boundaries on Irradiation Growth of Zirconium-based

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

    Alloys Effect of Grain Boundaries on Irradiation Growth of Zirconium-based Alloys At the end of August, researchers S.I. Golubov, A.V. Barashev and R.E. Stoller delivered to CASL an analysis of the effect of grain size on the radiation growth of multigrain, hexagonal close-packed (hcp) metals, taking into account the features of cascade damage due to neutron exposure. Irradiation growth occurs in zirconium-based alloys used for LWR fuel cladding. Experimental data suggests that irradiation

  3. Microstructure and mechanical behavior of neutron irradiated ultrafine grained ferritic steel

    SciTech Connect (OSTI)

    Ahmad Alsabbagh; Apu Sarkar; Brandon Miller; Jatuporn Burns; Leah Squires; Douglas Porter; James I. Cole; K. L. Murty

    2014-10-01

    Neutron irradiation effects on ultra-fine grain (UFG) low carbon steel prepared by equal channel angular pressing (ECAP) has been examined. Counterpart samples with conventional grain (CG) sizes have been irradiated alongside with the UFG ones for comparison. Samples were irradiated in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) to 1.24 dpa. Atom probe tomography revealed manganese, silicon-enriched clusters in both ECAP and CG steel after neutron irradiation. X-ray quantitative analysis showed that dislocation density in CG increased after irradiation. However, no significant change was observed in UFG steel revealing better radiation tolerance.

  4. Irradiation-induced grain growth in nanocrystalline reduced activation ferrite/martensite steel

    SciTech Connect (OSTI)

    Liu, W. B.; Chen, L. Q. [Key Laboratory of Advanced Materials of Ministry of Education, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Zhang, C., E-mail: chizhang@tsinghua.edu.cn; Yang, Z. G. [Key Laboratory of Advanced Materials of Ministry of Education, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Ji, Y. Z. [Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Zang, H. [Department of Nuclear Science and Technology, Xi'an Jiaotong University, Xi'an 710049 (China); Shen, T. L. [Institute of Modern Physics, Chinese Academy of Science, Lanzhou 730000 (China)

    2014-09-22

    In this work, we investigate the microstructure evolution of surface-nanocrystallized reduced activation ferrite/martensite steels upon high-dose helium ion irradiation (24.3 dpa). We report a significant irradiation-induced grain growth in the irradiated buried layer at a depth of 300500?nm, rather than at the peak damage region (at a depth of ?840?nm). This phenomenon can be explained by the thermal spike model: minimization of the grain boundary (GB) curvature resulting from atomic diffusion in the cascade center near GBs.

  5. FY 1990 Applied Sciences Branch annual report

    SciTech Connect (OSTI)

    Keyes, B.M.; Dippo, P.C.

    1991-11-01

    The Applied Sciences Branch actively supports the advancement of DOE/SERI goals for the development and implementation of the solar photovoltaic technology. The primary focus of the laboratories is to provide state-of-the-art analytical capabilities for materials and device characterization and fabrication. The branch houses a comprehensive facility which is capable of providing information on the full range of photovoltaic components. A major objective of the branch is to aggressively pursue collaborative research with other government laboratories, universities, and industrial firms for the advancement of photovoltaic technologies. Members of the branch disseminate research findings to the technical community in publications and presentations. This report contains information on surface and interface analysis, materials characterization, development, electro-optical characterization module testing and performance, surface interactions and FTIR spectroscopy.

  6. Discriminating binding mechanisms of an intrinsically disordered protein via a multi-state coarse-grained model

    SciTech Connect (OSTI)

    Knott, Michael [Department of Chemistry, Cambridge University, Lensfield Road, Cambridge CB2 1EW (United Kingdom)] [Department of Chemistry, Cambridge University, Lensfield Road, Cambridge CB2 1EW (United Kingdom); Best, Robert B., E-mail: robertbe@helix.nih.gov [Department of Chemistry, Cambridge University, Lensfield Road, Cambridge CB2 1EW (United Kingdom); Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892-0520 (United States)

    2014-05-07

    Many proteins undergo a conformational transition upon binding to their cognate binding partner, with intrinsically disordered proteins (IDPs) providing an extreme example in which a folding transition occurs. However, it is often not clear whether this occurs via an induced fit or conformational selection mechanism, or via some intermediate scenario. In the first case, transient encounters with the binding partner favour transitions to the bound structure before the two proteins dissociate, while in the second the bound structure must be selected from a subset of unbound structures which are in the correct state for binding, because transient encounters of the incorrect conformation with the binding partner are most likely to result in dissociation. A particularly interesting situation involves those intrinsically disordered proteins which can bind to different binding partners in different conformations. We have devised a multi-state coarse-grained simulation model which is able to capture the binding of IDPs in alternate conformations, and by applying it to the binding of nuclear coactivator binding domain (NCBD) to either ACTR or IRF-3 we are able to determine the binding mechanism. By all measures, the binding of NCBD to either binding partner appears to occur via an induced fit mechanism. Nonetheless, we also show how a scenario closer to conformational selection could arise by choosing an alternative non-binding structure for NCBD.

  7. A multiscale variational approach to the kinetics of viscous classical liquids: The coarse-grained mean field approximation

    SciTech Connect (OSTI)

    Sereda, Yuriy V.; Ortoleva, Peter J.

    2014-04-07

    A closed kinetic equation for the single-particle density of a viscous simple liquid is derived using a variational method for the Liouville equation and a coarse-grained mean-field (CGMF) ansatz. The CGMF ansatz is based on the notion that during the characteristic time of deformation a given particle interacts with many others so that it experiences an average interaction. A trial function for the N-particle probability density is constructed using a multiscale perturbation method and the CGMF ansatz is applied to it. The multiscale perturbation scheme is based on the ratio of the average nearest-neighbor atom distance to the total size of the assembly. A constraint on the initial condition is discovered which guarantees that the kinetic equation is mass-conserving and closed in the single-particle density. The kinetic equation has much of the character of the Vlasov equation except that true viscous, and not Landau, damping is accounted for. The theory captures condensation kinetics and takes much of the character of the Gross-Pitaevskii equation in the weak-gradient short-range force limit.

  8. Energy Department Extends Deadline to Apply for START Tribal...

    Energy Savers [EERE]

    Extends Deadline to Apply for START Tribal Renewable Energy Project Development Assistance to May 22, 2015 Energy Department Extends Deadline to Apply for START Tribal Renewable...

  9. An exact general remeshing scheme applied to physically conservative...

    Office of Scientific and Technical Information (OSTI)

    Published Article: An exact general remeshing scheme applied to physically conservative voxelization Title: An exact general remeshing scheme applied to physically conservative ...

  10. Identifying a cooperative control mechanism between an applied...

    Office of Scientific and Technical Information (OSTI)

    Identifying a cooperative control mechanism between an applied field and the environment ... Title: Identifying a cooperative control mechanism between an applied field and the ...

  11. Building America Webinar: Opportunities to Apply Phase Change...

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

    to Apply Phase Change Materials to Building Enclosures Building America Webinar: Opportunities to Apply Phase Change Materials to Building Enclosures This webinar, presented by ...

  12. Large Eddy Simulation (LES) Applied to Advanced Engine Combustion...

    Broader source: Energy.gov (indexed) [DOE]

    Large Eddy Simulation (LES) Applied to Advanced Engine Combustion Research Large Eddy Simulation (LES) Applied to Low-Temperature and Diesel Engine Combustion Research Vehicle ...

  13. Applying physics, teamwork to fusion energy science | Princeton Plasma

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

    Physics Lab Applying physics, teamwork to fusion energy science American Fusion News Category: Massachusetts Institute of Technology (MIT) Link: Applying physics, teamwork to fusion energy science

  14. Statistical and Domain Analytics Applied to PV Module Lifetime...

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

    Statistical and Domain Analytics Applied to PV Module Lifetime and Degradation Science Statistical and Domain Analytics Applied to PV Module Lifetime and Degradation Science ...

  15. James Webb Space Telescope: PM Lessons Applied - Eric Smith,...

    Energy Savers [EERE]

    James Webb Space Telescope: PM Lessons Applied - Eric Smith, Deputy Program Director, NASA James Webb Space Telescope: PM Lessons Applied - Eric Smith, Deputy Program Director,...

  16. ADR LUNCHTIME PROGRAM: "Crisis Negotiation: Apply the Skills...

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

    Apply the Skills Used By Law Enforcement In Resolving Conflict Situations" ADR LUNCHTIME PROGRAM: "Crisis Negotiation: Apply the Skills Used By Law Enforcement In Resolving ...

  17. Effect of Grain Refinement on the Mechanical Behaviour of an Al6061 Alloy at Cryogenic Temperatures

    SciTech Connect (OSTI)

    Moreno-Valle, E.; Sabirov, I.; Murashkin, M. Yu.; Valiev, R. Z.; Bobruk, E. V.; Perez-Prado, M. T.

    2011-05-04

    A solution treated coarse grained (CG) Al6061 was subjected to high pressure torsion (HPT) at room temperature resulting in the formation of a homogeneous ultra-fine grained (UFG) microstructure with an average grain size of 170 nm. Tensile tests were performed at room temperature (RT) and liquid nitrogen temperature (LNT). The as-HPT UFG Al6061 alloy shows an increased strength at both RT and LNT. The decrease of testing temperature results in increased flow stress and in enhanced elongation to failure in both CG and UFG samples. The ratio {sigma}{sub y}{sup LNT}/{sigma}{sub y}{sup RT} was found to be larger for the CG Al6061 than for the UFG Al6061. Both surface relief and fracture surface observations were performed. The effect of the grain size and of the testing temperature on the mechanical behaviour of the Al6061 alloy is analyzed in detail. It is suggested that the solute atoms play an important role in the plastic deformation of the UFG Al6061 alloy.

  18. Measurements of stress fields near a grain boundary: Exploring blocked arrays of dislocations in 3D

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

    Guo, Y.; Collins, D. M.; Tarleton, E.; Hofmann, F.; Tischler, J.; Liu, W.; Xu, R.; Wilkinson, A. J.; Britton, T. B.

    2015-06-24

    The interaction between dislocation pile-ups and grain boundaries gives rise to heterogeneous stress distributions when a structural metal is subjected to mechanical loading. Such stress heterogeneity leads to preferential sites for damage nucleation and therefore is intrinsically linked to the strength and ductility of polycrystalline metals. To date the majority of conclusions have been drawn from 2D experimental investigations at the sample surface, allowing only incomplete observations. Our purpose here is to significantly advance the understanding of such problems by providing quantitative measurements of the effects of dislocation pile up and grain boundary interactions in 3D. This is accomplished throughmore » the application of differential aperture X-ray Laue micro-diffraction (DAXM) and high angular resolution electron backscatter diffraction (HR-EBSD) techniques. Our analysis demonstrates a similar strain characterization capability between DAXM and HR-EBSD and the variation of stress intensity in 3D reveals that different parts of the same grain boundary may have different strengths in resisting slip transfer, likely due to the local grain boundary curvature.« less

  19. Preface: Special Topic on Coarse Graining of Macromolecules, Biopolymers, and Membranes

    SciTech Connect (OSTI)

    Holm, Christian; Gompper, Gerhard; Dill, Ken A.

    2015-12-28

    This special issue highlights new developments in theory and coarse-graining in biological and synthetic macromolecules and membranes. Such approaches give unique insights into the principles and design of the structures, dynamics, and assembly processes of these complex fluids and soft materials, where the length and time scales are often prohibitively long for fully atomistic modeling.

  20. NanoSIMS, TEM, and XANES studies of a unique presolar supernova graphite grain

    SciTech Connect (OSTI)

    Groopman, Evan; Bernatowicz, Thomas; Zinner, Ernst; Nittler, Larry R.

    2014-07-20

    We report on isotopic and microstructural investigations of a unique presolar supernova (SN) graphite grain, referred to as G6, isolated from the Orgueil CI chondrite. G6 contains complex heterogeneities in its isotopic composition and in its microstructure. Nano-scale secondary ion mass spectrometer isotope images of ultramicrotome sections reveal heterogeneities in its C, N, and O isotopic compositions, including anomalous shell-like structures. Transmission electron microscope studies reveal a nanocrystalline core surrounded by a turbostratic graphite mantle, the first reported nanocrystalline core from a low-density SN graphite grain. Electron diffraction analysis shows that the nanocrystalline core consists of randomly oriented 2-4 nm graphene particles, similar to those in cores of high-density (HD) presolar graphite grains from asymptotic giant branch stars. G6's core also exhibits evidence for planar stacking of these graphene nano-sheets with a domain size up to 4.5 nm, which was unobserved in the nanocrystalline cores of HD graphite grains. We also report on X-ray absorption near-edge structure measurements of G6. The complex isotopic- and micro-structure of G6 provides evidence for mixing and/or granular transport in SN ejecta.

  1. Carbide/nitride grain refined rare earth-iron-boron permanent magnet and method of making

    DOE Patents [OSTI]

    McCallum, R. William; Branagan, Daniel J.

    1996-01-23

    A method of making a permanent magnet wherein 1) a melt is formed having a base alloy composition comprising RE, Fe and/or Co, and B (where RE is one or more rare earth elements) and 2) TR (where TR is a transition metal selected from at least one of Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W, and Al) and at least one of C and N are provided in the base alloy composition melt in substantially stoichiometric amounts to form a thermodynamically stable compound (e.g. TR carbide, nitride or carbonitride). The melt is rapidly solidified in a manner to form particulates having a substantially amorphous (metallic glass) structure and a dispersion of primary TRC, TRN and/or TRC/N precipitates. The amorphous particulates are heated above the crystallization temperature of the base alloy composition to nucleate and grow a hard magnetic phase to an optimum grain size and to form secondary TRC, TRN and/or TRC/N precipitates dispersed at grain boundaries. The crystallized particulates are consolidated at an elevated temperature to form a shape. During elevated temperature consolidation, the primary and secondary precipitates act to pin the grain boundaries and minimize deleterious grain growth that is harmful to magnetic properties.

  2. Carbide/nitride grain refined rare earth-iron-boron permanent magnet and method of making

    DOE Patents [OSTI]

    McCallum, R.W.; Branagan, D.J.

    1996-01-23

    A method of making a permanent magnet is disclosed wherein (1) a melt is formed having a base alloy composition comprising RE, Fe and/or Co, and B (where RE is one or more rare earth elements) and (2) TR (where TR is a transition metal selected from at least one of Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W, and Al) and at least one of C and N are provided in the base alloy composition melt in substantially stoichiometric amounts to form a thermodynamically stable compound (e.g. TR carbide, nitride or carbonitride). The melt is rapidly solidified in a manner to form particulates having a substantially amorphous (metallic glass) structure and a dispersion of primary TRC, TRN and/or TRC/N precipitates. The amorphous particulates are heated above the crystallization temperature of the base alloy composition to nucleate and grow a hard magnetic phase to an optimum grain size and to form secondary TRC, TRN and/or TRC/N precipitates dispersed at grain boundaries. The crystallized particulates are consolidated at an elevated temperature to form a shape. During elevated temperature consolidation, the primary and secondary precipitates act to pin the grain boundaries and minimize deleterious grain growth that is harmful to magnetic properties. 33 figs.

  3. Solid State Theory of Photovoltaic Materials: Nanoscale Grain Boundaries and Doping CIGS

    SciTech Connect (OSTI)

    Zunger, A

    2005-01-01

    We use modern first-principles electronic structure theory to investigate (1) why are grain boundaries in chalcopyrites passive; (2) can chalcopyrites be doped by transition metals, and; (3) can hot electrons and carrier multiplication be efficient in quantum-dot solar cells.

  4. Farmer owned multi-use solar buildings for drying hay, grain, or heating shop

    SciTech Connect (OSTI)

    DeBusk, K.E.

    1983-06-01

    Identical multi-use solar buildings were built and tested on two farms in 1982. Actual (not simple) pay back periods are given for the two buildings for hay and for grain drying. Comparisons between solar and computed propane gas costs are reported.

  5. Nondestructive method and apparatus for imaging grains in curved surfaces of polycrystalline articles

    DOE Patents [OSTI]

    Carpenter, D.A.

    1995-05-23

    A nondestructive method, and associated apparatus, are provided for determining the grain flow of the grains in a convex curved, textured polycrystalline surface. The convex, curved surface of a polycrystalline article is aligned in a horizontal x-ray diffractometer and a monochromatic, converging x-ray beam is directed onto the curved surface of the polycrystalline article so that the converging x-ray beam is diffracted by crystallographic planes of the grains in the polycrystalline article. The diffracted x-ray beam is caused to pass through a set of horizontal, parallel slits to limit the height of the beam and thereafter. The linear intensity of the diffracted x-ray is measured, using a linear position sensitive proportional counter, as a function of position in a direction orthogonal to the counter so as to generate two dimensional data. An image of the grains in the curved surface of the polycrystalline article is provided based on the two-dimensional data. 7 Figs.

  6. Grain Growth Behavior, Tensile Impact Ductility, and Weldability of Cerium-Doped Iridium Alloys

    SciTech Connect (OSTI)

    McKamey, C.G.

    2002-05-28

    An iridium alloy doped with small amounts of cerium and thorium is being developed as a potential replacement for the iridium-based DOP-26 alloy (doped with thorium only) that is currently used by the National Aeronautics and Space Administration (NASA) for cladding and post-impact containment of the radioactive fuel in radioisotope thermoelectric generator (RTG) heat sources which provide electric power for interplanetary spacecraft. This report summarizes results of studies conducted to date under the Iridium Alloy Characterization and Development subtask of the Radioisotope Power System Materials Production and Technology Program to characterize the properties of the iridium-based alloy (designated as DOP-40) containing both cerium and thorium. Included within this report are data on grain growth of sheet material in vacuum and low-pressure oxygen environments, grain growth in vacuum of the clad vent set cup material, weldability, and the effect of grain size and test temperature on tensile properties. Where applicable, data for the DOP-26 alloy are included for comparison. Both grain size and grain-boundary cohesion affect the ductility of iridium alloys. In this study it was found that cerium and thorium, when added together, refine grain size more effectively than when thorium is added by itself (especially at high temperatures). In addition, the effect of cerium additions on grain-boundary cohesion is similar to that of thorium. Mechanical testing at both low ({approx} 10{sup -3}s{sup -1}) and high ({approx} 10{sup -3}s{sup -1}) strain rates showed that the Ce/Th-doped alloys have tensile ductilities that are as good or better than the DOP-26 alloy. The general conclusion from these studies is that cerium can be used to replace some of the radioactive thorium currently used in DOP-26 while maintaining or improving its metallurgical properties. The current DOP-26 alloy meets all requirements for cladding the radioactive fuel in the RTG heat source, but the

  7. Artificial intelligence technologies applied to terrain analysis

    SciTech Connect (OSTI)

    Wright, J.C. ); Powell, D.R. )

    1990-01-01

    The US Army Training and Doctrine Command is currently developing, in cooperation with Los Alamos National Laboratory, a Corps level combat simulation to support military analytical studies. This model emphasizes high resolution modeling of the command and control processes, with particular attention to architectural considerations that enable extension of the model. A planned future extension is the inclusion of an computer based planning capability for command echelons that can be dynamical invoked during the execution of then model. Command and control is the process through which the activities of military forces are directed, coordinated, and controlled to achieve the stated mission. To perform command and control the commander must understand the mission, perform terrain analysis, understand his own situation and capabilities as well as the enemy situation and his probable actions. To support computer based planning, data structures must be available to support the computer's ability to understand'' the mission, terrain, own capabilities, and enemy situation. The availability of digitized terrain makes it feasible to apply artificial intelligence technologies to emulate the terrain analysis process, producing data structures for uses in planning. The work derived thus for to support the understanding of terrain is the topic of this paper. 13 refs., 5 figs., 6 tabs.

  8. Image processing applied to laser cladding process

    SciTech Connect (OSTI)

    Meriaudeau, F.; Truchetet, F.

    1996-12-31

    The laser cladding process, which consists of adding a melt powder to a substrate in order to improve or change the behavior of the material against corrosion, fatigue and so on, involves a lot of parameters. In order to perform good tracks some parameters need to be controlled during the process. The authors present here a low cost performance system using two CCD matrix cameras. One camera provides surface temperature measurements while the other gives information relative to the powder distribution or geometric characteristics of the tracks. The surface temperature (thanks to Beer Lambert`s law) enables one to detect variations in the mass feed rate. Using such a system the authors are able to detect fluctuation of 2 to 3g/min in the mass flow rate. The other camera gives them information related to the powder distribution, a simple algorithm applied to the data acquired from the CCD matrix camera allows them to see very weak fluctuations within both gaz flux (carriage or protection gaz). During the process, this camera is also used to perform geometric measurements. The height and the width of the track are obtained in real time and enable the operator to find information related to the process parameters such as the speed processing, the mass flow rate. The authors display the result provided by their system in order to enhance the efficiency of the laser cladding process. The conclusion is dedicated to a summary of the presented works and the expectations for the future.

  9. Hanford Waste Vitrification Plant applied technology plan

    SciTech Connect (OSTI)

    Kruger, O.L.

    1990-09-01

    This Applied Technology Plan describes the process development, verification testing, equipment adaptation, and waste form qualification technical issues and plans for resolution to support the design, permitting, and operation of the Hanford Waste Vitrification Plant. The scope of this Plan includes work to be performed by the research and development contractor, Pacific Northwest Laboratory, other organizations within Westinghouse Hanford Company, universities and companies with glass technology expertise, and other US Department of Energy sites. All work described in this Plan is funded by the Hanford Waste Vitrification Plant Project and the relationship of this Plan to other waste management documents and issues is provided for background information. Work to performed under this Plan is divided into major areas that establish a reference process, develop an acceptable glass composition envelope, and demonstrate feed processing and glass production for the range of Hanford Waste Vitrification Plant feeds. Included in this work is the evaluation and verification testing of equipment and technology obtained from the Defense Waste Processing Facility, the West Valley Demonstration Project, foreign countries, and the Hanford Site. Development and verification of product and process models and other data needed for waste form qualification documentation are also included in this Plan. 21 refs., 4 figs., 33 tabs.

  10. Theoretical investigation of the impact of grain boundaries and fission gases on UO2 thermal conductivity

    SciTech Connect (OSTI)

    Du, Shiyu; Andersson, Anders D.; Germann, Timothy C.; Stanek, Christopher R.

    2012-05-02

    Thermal conductivity is one of the most important metrics of nuclear fuel performance. Therefore, it is crucial to understand the impact of microstructure features on thermal conductivity, especially since the microstructure evolves with burn-up or time in the reactor. For example, UO{sub 2} fuels are polycrystalline and for high-burnup fuels the outer parts of the pellet experience grain sub-division leading to a very fine grain structure. This is known to impact important physical properties such as thermal conductivity as fission gas release. In a previous study, we calculated the effect of different types of {Sigma}5 grain boundaries on UO{sub 2} thermal conductivity and predicted the corresponding Kapitza resistances, i.e. the resistance of the grain boundary in relation to the bulk thermal resistance. There have been reports of pseudoanisotropic effects for the thermal conductivity in cubic polycrystalline materials, as obtained from molecular dynamics simulations, which means that the conductivity appears to be a function of the crystallographic direction of the temperature gradient. However, materials with cubic symmetry should have isotropic thermal conductivity. For this reason it is necessary to determine the cause of this apparent anisotropy and in this report we investigate this effect in context of our earlier simulations of UO{sub 2} Kapitza resistances. Another source of thermal resistance comes from fission products and fission gases. Xe is the main fission gas and when generated in sufficient quantity it dissolves from the lattice and forms gas bubbles inside the crystalline structure. We have performed studies of how Xe atoms dissolved in the UO{sub 2} matrix or precipitated as bubbles impact thermal conductivity, both in bulk UO{sub 2} and in the presence of grain boundaries.

  11. Uptake, translocation, and metabolism of oxabetrinil and CGA-133205 in grain sorghum (Sorghum bicolor) and their influence on metolachlor metabolism

    SciTech Connect (OSTI)

    Yenne, S.P.; Hatzios, K.K.; Meredith, S.A. )

    1990-10-01

    The uptake, translocation, and metabolism of the oxime ether safeners oxabetrinil and CGA-133205 in grain sorghum (Sorghum bicolor (L.) Moench, var. Funk G-522-DR) were investigated. Following application of ({sup 14}C)oxabetrinil and ({sup 14}C)CGA-133205 to imbibed seeds, it appears that the safeners are conferring protection to grain sorghum by increasing the rate of metolachlor metabolism.

  12. Effect of particles attachment to multi-sized dust grains present in electrostatic sheaths of discharge plasmas

    SciTech Connect (OSTI)

    Zaham, B.; Tahraoui, A. Chekour, S.; Benlemdjaldi, D.

    2014-12-15

    The loss of electrons and ions due to their attachment to a Gauss-distributed sizes of dust grains present in electrostatic sheaths of discharge plasmas is investigated. A uni-dimensional, unmagnetized, and stationary multi-fluid model is proposed. Forces acting on the dust grain along with its charge are self-consistently calculated, within the limits of the orbit motion limited model. The dynamic analysis of dust grains shows that the contribution of the neutral drag force in the net force acting on the dust grain is negligible, whereas the contribution of the gravity force is found considerable only for micrometer particles. The dust grains trapping is only possible when the electrostatic force is balanced by the ion drag and the gravity forces. This trapping occurs for a limited radius interval of micrometer dust grains, which is around the most probable dust grain radius. The effect of electron temperature and ion density at the sheath edge is also discussed. It is shown that the attachment of particles reduces considerably the sheath thickness and induces dust grain deceleration. The increase of the lower limit as well as the upper limit of the dust radius reduces also the sheath thickness.

  13. Suppression of Twinning and Phase Transformation in an Ultrafine Grained 2 GPa Strong Metastable Austenitic Steel: Experiment and Simulation

    SciTech Connect (OSTI)

    Shen, Yongfeng; Jia, Nan; Wang, Y. D.; Sun, Xin; Zuo, Liang; Raabe, Dierk

    2015-07-17

    An ultrafine-grained 304 austenitic 18 wt.%Cr-8 wt.%Ni stainless steel with a grain size of ~270 nm was synthesized by accumulative rolling (67 % total reduction) and annealing (550 °C, 150s). Uniaxial tensile testing at room temperature reveals an extremely high yield strength of 1890 ± 50MPa and a tensile strength of 2050 ± 30MPa, while the elongation reaches 6 ± 1%. Experimental characterization on samples with different grain sizes between 270 nm and 35 μm indicates that both, deformation twinning and martensitic phase transformation are significantly retarded with increasing grain refinement. A crystal plasticity finite element model incorporating a constitutive law reflecting the grain size-controlled dislocation slip and deformation twinning captures the micromechanical behavior of the steels with different grain sizes. Comparison of simulation and experiment shows that the deformation of ultrafine-grained 304 steels is dominated by the slip of partial dislocations, whereas for coarse-grained steels dislocation slip, twinning and martensite formation jointly contribute to the shape change.

  14. Patterns and perspectives in applied fracture mechanics

    SciTech Connect (OSTI)

    Merkle, J.G.

    1994-12-31

    This lecture begins with a overview of applied fracture mechanics pertinent to safety of pressure vessels. It then progresses to a chronological panorama of experimental and analytical results. To be useful and dependable in safety analysis of real structures, new analysis developments must be physically realistic, which means that they must accurately describe physical cause and effect. Consequently, before mathematical modeling can begin, cause and effect must be established from experimental data. This can be difficult and time consuming, but worth the effort. Accordingly, the theme of this paper is that the search for patterns is constant and vital. This theme is illustrated by the development of small, single-specimen, fracture toughness testing techniques. It is also illustrated by the development, based on two different published large-strain, elastic-plastic, three-dimensional finite-element analyses, of a hypothesis concerning three-dimensional loss of constraint. When a generalization of Irwin`s thickness-normalized plastic-zone parameter, reaches a value close to 2{pi}, the through-thickness contraction strain at the apex of the near-tip logarithmic-spiral slip-line region becomes the dominant negative strain accommodating crack opening. Because slip lines passing from the midplane to the stress-free side surfaces do not have to curve, once these slip lines are established, stresses near the crack tip are only elevated by strain hardening and constraint becomes significantly relaxed. This hypothesis, based on published three-dimensional elastic-plastic analyses, provides a potentially valuable means for gaining additional insight into constraint effects on fracture toughness by considering the roles played by the plastic strains as well as the stresses that develop near a crack tip.

  15. Multiscale Modeling of Grain Boundary Segregation and Embrittlement in Tungsten for Mechanistic Design of Alloys for Coal Fired Plants

    SciTech Connect (OSTI)

    Luo, Jian; Tomar, Vikas; Zhou, Naixie; Lee, Hongsuk

    2013-06-30

    Based on a recent discovery of premelting-like grain boundary segregation in refractory metals occurring at high temperatures and/or high alloying levels, this project investigated grain boundary segregation and embrittlement in tungsten (W) based alloys. Specifically, new interfacial thermodynamic models have been developed and quantified to predict high-temperature grain boundary segregation in the W-Ni binary alloy and W-Ni-Fe, W-Ni-Ti, W-Ni-Co, W-Ni-Cr, W-Ni-Zr and W-Ni-Nb ternary alloys. The thermodynamic modeling results have been experimentally validated for selected systems. Furthermore, multiscale modeling has been conducted at continuum, atomistic and quantum-mechanical levels to link grain boundary segregation with embrittlement. In summary, this 3-year project has successfully developed a theoretical framework in combination with a multiscale modeling strategy for predicting grain boundary segregation and embrittlement in W based alloys.

  16. Grain in weakly ionized plasma in the presence of an external magnetic field: Charging by plasma currents and effective potential

    SciTech Connect (OSTI)

    Momot, A. I.; M.M. Bogolubov Institute for Theoretical Physics, Nat. Acad. Sci. of Ukraine, 14b, Metrologichna Str., Kyiv, 03680

    2013-07-15

    The problem of grain screening is solved numerically for the case of weakly ionized plasma in the presence of an external magnetic field. The plasma dynamics is described within the drift-diffusion approximation under the assumption that the grain absorbs all encountered electrons and ions. We also assume that the plasma current through the grain surface is equal to zero in the stationary state. This condition is used to perform self-consistent calculations of the grain charge. The spatial distribution of the screened grain potential is studied and compared with the analytical estimates. It is shown that at the distances larger than the Debye length such potential has the Coulomb-like asymptotics with the effective charge dependent on the angle between the radius vector and the external magnetic field direction. The numerical solutions show that in the direction parallel to the external magnetic field the effective potential can have nonmonotonic behavior.

  17. Uranium vacancy mobility at the sigma 5 symmetric tilt grain boundary in UO2

    SciTech Connect (OSTI)

    Uberuaga, Blas P.

    2012-05-02

    An important consequence of the fissioning process occurring during burnup is the formation of fission products. These fission products alter the thermo-mechanical properties of the fuel. They also lead to macroscopic changes in the fuel structure, including the formation of bubbles that are connected to swelling of the fuel. Subsequent release of fission gases increase the pressure in the plenum and can cause changes in the properties of the fuel pin itself. It is thus imperative to understand how fission products, and fission gases in particular, behave within the fuel in order to predict the performance of the fuel under operating conditions. Fission gas redistribution within the fuel is governed by mass transport and the presence of sinks such as impurities, dislocations, and grain boundaries. Thus, to understand how the distribution of fission gases evolves in the fuel, we must understand the underlying transport mechanisms, tied to the concentrations and mobilities of defects within the material, and how these gases interact with microstructural features that might act as sinks. Both of these issues have been addressed in previous work under NEAMS. However, once a fission product has reached a sink, such as a grain boundary, its mobility may be different there than in the grain interior and predicting how, for example, bubbles nucleate within grain boundaries necessitates an understanding of how fission gases diffuse within boundaries. That is the goal of the present work. In this report, we describe atomic level simulations of uranium vacancy diffusion in the pressence of a {Sigma}5 symmetric tilt boundary in urania (UO{sub 2}). This boundary was chosen as it is the simplest of the boundaries we considered in previous work on segregation and serves as a starting point for understanding defect mobility at boundaries. We use a combination of molecular statics calculations and kinetic Monte Carlo (kMC) to determine how the mobility of uranium vacancies is

  18. Ultrasonic Sound Field Mapping Through Coarse Grained Cast Austenitic Stainless Steel Components

    SciTech Connect (OSTI)

    Crawford, Susan L.; Prowant, Matthew S.; Cinson, Anthony D.; Larche, Michael R.; Diaz, Aaron A.

    2014-08-01

    The Pacific Northwest National Laboratory (PNNL) has been involved with nondestructive examination (NDE) of coarse-grained cast austenitic stainless steel (CASS) components for over 30 years. More recent work has focused on mapping the ultrasonic sound fields generated by low-frequency phased array probes that are typically used for the evaluation of CASS materials for flaw detection and characterization. The casting process results in the formation of large grained material microstructures that are nonhomogeneous and anisotropic. The propagation of ultrasonic energy for examination of these materials results in scattering, partitioning and redirection of these sound fields. The work reported here provides an assessment of sound field formation in these materials and provides recommendations on ultrasonic inspection parameters for flaw detection in CASS components.

  19. An examination of abnormal grain growth in low strain nickel-200

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

    Underwood, O.; Madison, J.; Martens, R. M.; Thompson, G. B.; Welsh, S.; Evans, J.

    2016-06-21

    Here, this study offers experimental observation of the effect of low strain conditions (ε < 10%) on abnormal grain growth (AGG) in Nickel-200. At such conditions, stored mechanical energy is low within the microstructure enabling one to observe the impact of increasing mechanical deformation on the early onset of AGG compared to a control, or nondeformed, equivalent sample. The onset of AGG was observed to occur at specific pairings of compressive strain and annealing temperature and an empirical relation describing the influence of thermal exposure and strain content was developed. The evolution of low-Σ coincident site lattice (CSL) boundaries andmore » overall grain size distributions are quantified using electron backscatter diffraction preceding, at onset and during ensuing AGG, whereby possible mechanisms for AGG in the low strain regime are offered and discussed.« less

  20. Stochastic thermodynamics of fluctuating density fields: Non-equilibrium free energy differences under coarse-graining

    SciTech Connect (OSTI)

    Leonard, T.; Lander, B.; Seifert, U.; Speck, T.

    2013-11-28

    We discuss the stochastic thermodynamics of systems that are described by a time-dependent density field, for example, simple liquids and colloidal suspensions. For a time-dependent change of external parameters, we show that the Jarzynski relation connecting work with the change of free energy holds if the time evolution of the density follows the Kawasaki-Dean equation. Specifically, we study the work distributions for the compression and expansion of a two-dimensional colloidal model suspension implementing a practical coarse-graining scheme of the microscopic particle positions. We demonstrate that even if coarse-grained dynamics and density functional do not match, the fluctuation relations for the work still hold albeit for a different, apparent, change of free energy.

  1. Synthesis of high-strength W-Ta ultrafine-grain composites

    SciTech Connect (OSTI)

    Ott, R. T.; Yang, X. Y.; Guyer, D. E.; Chauhan, S.; Sordelet, D. J.

    2015-09-30

    Bulk samples of an ultrafine-grained tungstentantalum composite alloy have been synthesized by consolidating mechanically milled composite powders. The grain growth during densification is limited due to the submicron-scale layering of the individual metals in the composite particles and the relatively low sintering temperature (1300 C). The ultrafine microstructure of the high-density (~99% theoretical density) samples leads to a high yield stress of ~3 GPa under quasi-static uniaxial compression. A tendency for Ta-rich solid-solution formation during densification was observed, and the high-temperature phase equilibria in the composite powders were examined further using high-energy x-ray diffraction at temperatures up to 1300 C.

  2. Simulating Cellulose Structure, Properties, Thermodynamics, Synthesis, and Deconstruction with Atomistic and Coarse-Grain Models

    SciTech Connect (OSTI)

    Crowley, M. F.; Matthews, J.; Beckham, G.; Bomble, Y.; Hynninen, A. P.; Ciesielski, P. F.

    2012-01-01

    Cellulose is still a mysterious polymer in many ways: structure of microfibrils, thermodynamics of synthesis and degradation, and interactions with other plant cell wall components. Our aim is to uncover the details and mechanisms of cellulose digestion and synthesis. We report the details of the structure of cellulose 1-beta under several temperature conditions and report here the results of these studies and connections to experimental measurements and the measurement in-silico the free energy of decrystallization of several morphologies of cellulose. In spatially large modeling, we show the most recent work of mapping atomistic and coarse-grain models into tomographic images of cellulose and extreme coarse-grain modeling of interactions of large cellulase complexes with microfibrils. We discuss the difficulties of modeling cellulose and suggest future work both experimental and theoretical to increase our understanding of cellulose and our ability to use it as a raw material for fuels and materials.

  3. Influence of grain boundary phosphorus concentration on liquid metal and hydrogen embrittlement of Monel 400

    SciTech Connect (OSTI)

    Funkenbusch, A.W.; Heldt, L.A.; Stein, D.F.

    1982-04-01

    Susceptibility to embrittlement by mercury and hydrogen was measured as affected by thermal treatment. Specimens were annealed at 900/degree/C and either quenched or furnace cooled. Fractures in air were ductile, and not affected by thermal treatment. Fractures of mercury-coated and hydrogen-charged samples were brittle and intergranular; elongation to fracture increased with increasing concentration of grain boundary phosphorus. 45 refs.

  4. Non-wetting surface-driven high-aspect-ratio crystalline grain growth for efficient hybrid perovskite solar cells

    SciTech Connect (OSTI)

    Bi, Cheng; Wang, Qi; Shao, Yuchuan; Yuan, Yongbo; Xiao, Zhengguo; Huang, Jinsong

    2015-07-20

    Large-aspect-ratio grains are needed in polycrystalline thin-film solar cells for reduced charge recombination at grain boundaries; however, the grain size in organolead trihalide perovskite (OTP) films is generally limited by the film thickness. Here we report the growth of OTP grains with high average aspect ratio of 2.3–7.9 on a wide range of non-wetting hole transport layers (HTLs), which increase nucleus spacing by suppressing heterogeneous nucleation and facilitate grain boundary migration in grain growth by imposing less drag force. The reduced grain boundary area and improved crystallinity dramatically reduce the charge recombination in OTP thin films to the level in OTP single crystals. Combining the high work function of several HTLs, a high stabilized device efficiency of 18.3% in low-temperature-processed planar-heterojunction OTP devices under 1 sun illumination is achieved. As a result, this simple method in enhancing OTP morphology paves the way for its application in other optoelectronic devices for enhanced performance.

  5. Non-wetting surface-driven high-aspect-ratio crystalline grain growth for efficient hybrid perovskite solar cells

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

    Bi, Cheng; Wang, Qi; Shao, Yuchuan; Yuan, Yongbo; Xiao, Zhengguo; Huang, Jinsong

    2015-07-20

    Large-aspect-ratio grains are needed in polycrystalline thin-film solar cells for reduced charge recombination at grain boundaries; however, the grain size in organolead trihalide perovskite (OTP) films is generally limited by the film thickness. Here we report the growth of OTP grains with high average aspect ratio of 2.3–7.9 on a wide range of non-wetting hole transport layers (HTLs), which increase nucleus spacing by suppressing heterogeneous nucleation and facilitate grain boundary migration in grain growth by imposing less drag force. The reduced grain boundary area and improved crystallinity dramatically reduce the charge recombination in OTP thin films to the level inmore » OTP single crystals. Combining the high work function of several HTLs, a high stabilized device efficiency of 18.3% in low-temperature-processed planar-heterojunction OTP devices under 1 sun illumination is achieved. As a result, this simple method in enhancing OTP morphology paves the way for its application in other optoelectronic devices for enhanced performance.« less

  6. Nontoxic chemical process for in situ permeability enhancement and accelerated decontamination of fine-grain subsurface sediments

    DOE Patents [OSTI]

    Kansa, E.J.; Wijesinghe, A.M.; Viani, B.E.

    1997-01-14

    The remediation of heterogeneous subsurfaces is extremely time consuming and expensive with current and developing technologies. Although such technologies can adequately remove contaminants in the high hydraulic conductivity, coarse-grained sediments, they cannot access the contaminated low hydraulic conductivity fine-grained sediments. The slow bleed of contaminants from the fine-grained sediments is the primary reason why subsurface remediation is so time-consuming and expensive. This invention addresses the problem of remediating contaminated fine-grained sediments. It is intended that, in the future, a heterogeneous site be treated by a hybrid process that first remediates the high hydraulic conductivity, coarse-grained sediments, to be followed by the process, described in this invention, to treat the contaminated low hydraulic conductivity fine-grained sediments. The invention uses cationic flocculants and organic solvents to collapse the swelling negative double layer surrounding water saturated clay particles, causing a flocculated, cracked clay structure. The modification of the clay fabric in fine-grained sediments dramatically increases the hydraulic conductivity of previously very tight clays many orders of magnitude. 8 figs.

  7. Nontoxic chemical process for in situ permeability enhancement and accelerated decontamination of fine-grain subsurface sediments

    DOE Patents [OSTI]

    Kansa, Edward J.; Wijesinghe, Ananda M.; Viani, Brian E.

    1997-01-01

    The remediation of heterogeneous subsurfaces is extremely time consuming and expensive with current and developing technologies. Although such technologies can adequately remove contaminants in the high hydraulic conductivity, coarse-grained sediments, they cannot access the contaminated low hydraulic conductivity fine-grained sediments. The slow bleed of contaminants from the fine-grained sediments is the primary reason why subsurface remediation is so time-consuming and expensive. This invention addresses the problem of remediating contaminated fine-grained sediments. It is intended that, in the future, a heterogeneous site be treated by a hybrid process that first remediates the high hydraulic conductivity, coarse-grained sediments, to be followed by the process, described in this invention, to treat the contaminated low hydraulic conductivity fine-grained sediments. The invention uses cationic flocculents and organic solvents to collapse the swelling negative double layer surrounding water saturated clay particles, causing a flocculated, cracked clay structure. The modification of the clay fabric in fine-grained sediments dramatically increases the hydraulic conductivity of previously very tight clays many orders of magnitude.

  8. NMR comparisons of nanocrystalline and coarse-grained palladium hydride and deuteride.

    SciTech Connect (OSTI)

    Eastman, J. A.; Materials Science Division; Washington Univ.; William Jewell College

    2003-02-01

    Two distinct proton NMR lines were previously reported in nanocrystalline PdH{sub x} (r=5nm, x=0.70), and were tentatively assigned to H in the crystalline cores and in grain boundaries. Here we show this assignment to be incorrect, with all of the H in the Pd forming a single line and the second line arising from surface-bound H{sub 2}O formed by reaction with an initial oxygen surface layer on the Pd. Distinct spectroscopic signatures of deuterium in boundaries and in crystalline cores are sought in the rigid lattice {sup 2}D spectrum of nano-PdD{sub x} and in the onset of motional narrowing. In neither case is two-part behavior found; the results are nearly identical to those in coarse-grained PdD{sub x}. The spin-lattice relaxation rate R{sub 1} of {sup 2}D in nano-PdD{sub x} is compared to that in coarse-grained material. The electronic (Korringa) contribution, dominant below 125 K, is 1.58 times as large in nano-PdD{sub x}, indicating a substantial difference in the electronic structure in the boundary regions of nano-PdD{sub x}. Above 200 K, a contribution to R{sub 1} from exchange with D{sub 2} gas and/or surface adsorbed species is observed for nano-PdD{sub x}, a result of the large surface area.

  9. Dynamic and impact contact mechanics of geologic materials: Grain-scale experiments and modeling

    SciTech Connect (OSTI)

    Cole, David M.; Hopkins, Mark A.; Ketcham, Stephen A.

    2013-06-18

    High fidelity treatments of the generation and propagation of seismic waves in naturally occurring granular materials is becoming more practical given recent advancements in our ability to model complex particle shapes and their mechanical interaction. Of particular interest are the grain-scale processes that are activated by impact events and the characteristics of force transmission through grain contacts. To address this issue, we have developed a physics based approach that involves laboratory experiments to quantify the dynamic contact and impact behavior of granular materials and incorporation of the observed behavior indiscrete element models. The dynamic experiments do not involve particle damage and emphasis is placed on measured values of contact stiffness and frictional loss. The normal stiffness observed in dynamic contact experiments at low frequencies (e.g., 10 Hz) are shown to be in good agreement with quasistatic experiments on quartz sand. The results of impact experiments - which involve moderate to extensive levels of particle damage - are presented for several types of naturally occurring granular materials (several quartz sands, magnesite and calcium carbonate ooids). Implementation of the experimental findings in discrete element models is discussed and the results of impact simulations involving up to 5 Multiplication-Sign 105 grains are presented.

  10. Synthesis and characterization of large-grain solid-phase crystallized polycrystalline silicon thin films

    SciTech Connect (OSTI)

    Kumar, Avishek, E-mail: avishek.kumar@nus.edu.sg, E-mail: dalapatig@imre.a-star.edu.sg [Solar Energy Research Institute of Singapore, National University of Singapore, 7 Engineering Drive 1, Block E3A, #06-01, Singapore 117574 (Singapore); Department of Electrical and Computer Engineering, National University of Singapore, Singapore 117583 (Singapore); Institute of Materials Research and Engineering, A*STAR (Agency for Science, Technology and Research), 3 Research Link, Singapore 117602 (Singapore); Law, Felix; Widenborg, Per I. [Solar Energy Research Institute of Singapore, National University of Singapore, 7 Engineering Drive 1, Block E3A, #06-01, Singapore 117574 (Singapore); Dalapati, Goutam K., E-mail: avishek.kumar@nus.edu.sg, E-mail: dalapatig@imre.a-star.edu.sg; Subramanian, Gomathy S.; Tan, Hui R. [Institute of Materials Research and Engineering, A*STAR (Agency for Science, Technology and Research), 3 Research Link, Singapore 117602 (Singapore); Aberle, Armin G. [Solar Energy Research Institute of Singapore, National University of Singapore, 7 Engineering Drive 1, Block E3A, #06-01, Singapore 117574 and Department of Electrical and Computer Engineering, National University of Singapore, Singapore 117583 (Singapore)

    2014-11-01

    n-type polycrystalline silicon (poly-Si) films with very large grains, exceeding 30??m in width, and with high Hall mobility of about 71.5?cm{sup 2}/V s are successfully prepared by the solid-phase crystallization technique on glass through the control of the PH{sub 3} (2% in H{sub 2})/SiH{sub 4} gas flow ratio. The effect of this gas flow ratio on the electronic and structural quality of the n-type poly-Si thin film is systematically investigated using Hall effect measurements, Raman microscopy, and electron backscatter diffraction (EBSD), respectively. The poly-Si grains are found to be randomly oriented, whereby the average area weighted grain size is found to increase from 4.3 to 18??m with increase of the PH{sub 3} (2% in H{sub 2})/SiH{sub 4} gas flow ratio. The stress in the poly-Si thin films is found to increase above 900?MPa when the PH{sub 3} (2% in H{sub 2})/SiH{sub 4} gas flow ratio is increased from 0.025 to 0.45. Finally, high-resolution transmission electron microscopy, high angle annular dark field-scanning tunneling microscopy, and EBSD are used to identify the defects and dislocations caused by the stress in the fabricated poly-Si films.

  11. Simulation of the effects of grain boundary fission gas during thermal transients

    SciTech Connect (OSTI)

    Fenske, G.R.; Emerson, J.E.; Beiersdorf, B.A.

    1984-11-01

    This report presents the results of an initial set of out-of-cell transient heating experiments performed on unirradiated UO/sub 2/ pellets fabricated to simulate the effect of grain boundary fission gas on fuel swelling and cladding failure. The fabrication involved trapping high-pressure argon on internal pores by sintering annular UO/sub 2/ pellets in a hot isostatic press (HIP). The pellet stack was subjected to two separate transients (DGF83-03A and -03B). Figures show photomicrographs of HIPped and non-HIPped UO/sub 2/, respectively, and the adjacent cladding after DGF83-03B. Fuel melting occurred at the center of both the HIPped and non-HIPped pellets; however, a dark ring is present near the center in the HIPped fuel but not in the non-HIPped fuel. This dark band is a high-porosity region due to increased grain boundary/edge swelling in that pellet. In contrast, grain boundary/edge swelling did not occur in the non-HIPped pellets. Thus, the presence of the high-pressure argon trapped on internal pores during sintering in the HIP altered the microstructural behavior. Results of these preliminary tests indicate that the microstructural behavior of HIPped fuel during thermal transients is different from the behavior of conventionally fabricated fuel.

  12. Pre-accretional sorting of grains in the outer solar nebula

    SciTech Connect (OSTI)

    Wozniakiewicz, P. J.; Bradley, J. P.; Ishii, H. A.; Price, M. C.; Brownlee, D. E.

    2013-12-20

    Despite their micrometer-scale dimensions and nanogram masses, chondritic porous interplanetary dust particles (CP IDPs) are an important class of extraterrestrial material since their properties are consistent with a cometary origin and they show no evidence of significant post-accretional parent body alteration. Consequently, they can provide information about grain accretion in the comet-forming region of the outer solar nebula. We have previously reported our comparative study of the sizes and size distributions of crystalline silicate and sulfide grains in CP IDPs, in which we found these components exhibit a size-density relationship consistent with having been sorted together prior to accretion. Here we extend our data set and include GEMS (glass with embedded metal and sulfide), the most abundant amorphous silicate phase observed in CP IDPs. We find that while the silicate and sulfide sorting trend previously observed is maintained, the GEMS size data do not exhibit any clear relationship to these crystalline components. Therefore, GEMS do not appear to have been sorted with the silicate and sulfide crystals. The disparate sorting trends observed in GEMS and the crystalline grains in CP IDPs present an interesting challenge for modeling early transport and accretion processes. They may indicate that several sorting mechanisms operated on these CP IDP components, or alternatively, they may simply be a reflection of different source environments.

  13. Effect of martensite to austenite reversion on the formation of nano/submicron grained AISI 301 stainless steel

    SciTech Connect (OSTI)

    Karimi, M.; Najafizadeh, A.; Kermanpur, A.; Eskandari, M.

    2009-11-15

    The martensite to austenite reversion behavior of 90% cold rolled AISI 301 stainless steel was investigated in order to refine the grain size. Cold rolled specimens were annealed at 600-900 deg. C, and subsequently characterized by scanning electron microscopy, X-ray diffraction, Feritscope, and hardness measurements. The effects of annealing parameters on the formation of fully-austenitic nano/submicron grained structure and the mechanisms involved were studied. It was found that annealing at 800 deg. C for 10 s exhibited the smallest average austenite grain size of 240 {+-} 60 nm with an almost fully-austenitic structure.

  14. DOE - Office of Legacy Management -- Case School of Applied Science...

    Office of Legacy Management (LM)

    Case School of Applied Science Ohio State University - OH 0-01 Site ID (CSD Index Number): OH.0-01 Site Name: Case School of Applied Science, Ohio State University Site Summary: Site ...

  15. Kerry Vahala: Jenkins Professor and Professor of Applied Physics...

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

    Applied Physics, California Institute of Technology Nov 6, 2013 | 4:00 PM - 5:00 PM Kerry Vahala Jenkins Professor and Professor of Applied Physics, California Institute of ...

  16. Oregon Learning About and Applying for Water Rights Webpage ...

    Open Energy Info (EERE)

    Learning About and Applying for Water Rights Webpage Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: Oregon Learning About and Applying for Water...

  17. Attenuation-Based Remedies in the Subsurface Applied Field Research

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

    Initiative (ABRS AFRI) | Department of Energy Attenuation-Based Remedies in the Subsurface Applied Field Research Initiative (ABRS AFRI) Attenuation-Based Remedies in the Subsurface Applied Field Research Initiative (ABRS AFRI) Attenuation-Based Remedies in the Subsurface Applied Field Research Initiative (ABRS AFRI) Located at the Savannah River Site in Aiken, South Carolina, the Attenuation-Based Remedies in the Subsurface Applied Field Research Initiative (ABRS AFRI) was established to

  18. Vehicle Technologies Office: Applied Battery Research | Department of

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

    Energy Applied Battery Research Vehicle Technologies Office: Applied Battery Research Applied battery research addresses the barriers facing the lithium-ion systems that are closest to meeting the technical energy and power requirements for hybrid electric vehicle (HEV) and electric vehicle (EV) applications. In addition, applied battery research concentrates on technology transfer to ensure that the research results and lessons learned are effectively provided to U.S. automotive and battery

  19. Register to Apply for EERE Funding Opportunities | Department of Energy

    Office of Environmental Management (EM)

    Apply for Funding » Register to Apply for EERE Funding Opportunities Register to Apply for EERE Funding Opportunities Before applying to an EERE financial opportunity, potential applicants must complete specific registration requirements. Of the registrations listed below, the EERE Exchange registration does not have a delay; however, the remaining registration requirements could take several weeks to process and are necessary before a potential applicant can receive an award. To be eligible to

  20. Aachen University of Applied Sciences | Open Energy Information

    Open Energy Info (EERE)

    Aachen University of Applied Sciences Place: Germany Sector: Services Product: General Financial & Legal Services ( Academic Research foundation ) References: Aachen...

  1. Applied Process Engineering Laborotory APEL | Open Energy Information

    Open Energy Info (EERE)

    Engineering Laborotory (APEL) Place: United States Sector: Services Product: General Financial & Legal Services ( Private family-controlled ) References: Applied Process...

  2. PLURAL METALLIC COATINGS ON URANIUM AND METHOD OF APPLYING SAME

    DOE Patents [OSTI]

    Gray, A.G.

    1958-09-16

    A method is described of applying protective coatings to uranlum articles. It consists in applying chromium plating to such uranium articles by electrolysis in a chromic acid bath and subsequently applying, to this minum containing alloy. This aluminum contalning alloy (for example one of aluminum and silicon) may then be used as a bonding alloy between the chromized surface and an aluminum can.

  3. Applied Mathematics | U.S. DOE Office of Science (SC)

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

    Applied Mathematics Advanced Scientific Computing Research (ASCR) ASCR Home About Research Applied Mathematics Applied Mathematics Conferences And Workshops Computer Science Next Generation Networking Scientific Discovery through Advanced Computing (SciDAC) ASCR SBIR-STTR Facilities Science Highlights Benefits of ASCR Funding Opportunities Advanced Scientific Computing Advisory Committee (ASCAC) Community Resources Contact Information Advanced Scientific Computing Research U.S. Department of

  4. CX-009418: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Electron Beam Melting CX(s) Applied: None applied. Date: 10/30/2012 Location(s): Missouri Offices(s): Kansas City Site Office

  5. CX-009419: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Magnetic Pulser CX(s) Applied: None applied. Date: 10/30/2012 Location(s): Missouri Offices(s): Kansas City Site Office

  6. CX-009420: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Additive Manufacturing Using EOSINT M280 CX(s) Applied: None applied. Date: 10/30/2012 Location(s): Missouri Offices(s): Kansas City Site Office

  7. Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium)

    SciTech Connect (OSTI)

    Vögele, Martin; Holm, Christian; Smiatek, Jens

    2015-12-28

    We present simulations of aqueous polyelectrolyte complexes with new MARTINI models for the charged polymers poly(styrene sulfonate) and poly(diallyldimethylammonium). Our coarse-grained polyelectrolyte models allow us to study large length and long time scales with regard to chemical details and thermodynamic properties. The results are compared to the outcomes of previous atomistic molecular dynamics simulations and verify that electrostatic properties are reproduced by our MARTINI coarse-grained approach with reasonable accuracy. Structural similarity between the atomistic and the coarse-grained results is indicated by a comparison between the pair radial distribution functions and the cumulative number of surrounding particles. Our coarse-grained models are able to quantitatively reproduce previous findings like the correct charge compensation mechanism and a reduced dielectric constant of water. These results can be interpreted as the underlying reason for the stability of polyelectrolyte multilayers and complexes and validate the robustness of the proposed models.

  8. Multipass comminution process to produce precision wood particles of uniform size and shape with disrupted grain structure from wood chips

    DOE Patents [OSTI]

    Dooley, James H; Lanning, David N

    2014-05-27

    A process of comminution of wood chips (C) having a grain direction to produce a mixture of wood particles (P), wherein the wood chips are characterized by an average length dimension (L.sub.C) as measured substantially parallel to the grain, an average width dimension (W.sub.C) as measured normal to L.sub.C and aligned cross grain, and an average height dimension (H.sub.C) as measured normal to W.sub.C and L.sub.C, and wherein the comminution process comprises the step of feeding the wood chips in a direction of travel substantially randomly to the grain direction one or more times through a counter rotating pair of intermeshing arrays of cutting discs (D) arrayed axially perpendicular to the direction of wood chip travel.

  9. Shoreline, grain-size, and total-carbon distribution changes before and after Hurricane Alicia, Galveston Island, Texas, 1983

    SciTech Connect (OSTI)

    Rothammer, C.M.; Morrison, L.R.; Warkentin, S.L.

    1985-02-01

    Shoreline, grain-size, and sediment total-carbon changes were monitored, on a monthly basis, on three Galveston Island beaches, from January through December 1983. The study area included: (1) East Beach, obstructed by groins and a seawall; (2) Galveston Island State Park, obstructed by fences artificially stabilizing the dunes; and (3) West Beach, an unobstructed beach. Beach profiles revealed the effects of beach obstruction, such as erosion and undercutting at East Beach, and truncation of the dunes at Galveston Island State Park. Approximately 20 m of expansional cutback occurred on the beaches after Hurricane Alicia hit on August 18, 1983. Contour maps of grain-size and total-carbon distributions reflect the movement of beach sand by either onshore-offshore transport during low-energy periods, or longshore, edge-wave transport during high-energy periods. Statistical analyses revealed a small variation in grain size throughout the year. There were well-defined times of either no correlation or strong correlation between total carbon vs. mean grain size, skewness vs. mean grain size, kurtosis vs. mean grain size, skewness vs. mean grain size, kurtosis vs. mean grain size, total carbon vs. percent sand, total carbon vs. skewness, and skewness vs. kurtosis. Strong correlation was found in response to high-energy events, whereas no correlation was found in response to low-energy events. Galveston Island is undergoing net erosion and appears to be in a metastable state, still capable of responding to oceanographic conditions. The economic effects of Hurricane Alicia include considerable loss of the shoreline and destruction of property. Beach nourishment appears to be the only economically feasible solution to counteract the extensive erosion.

  10. Determination of Grain Boundary Charging in Cu(In,Ga)Se2 Thin Films: Preprint

    SciTech Connect (OSTI)

    Jiang, C. S.; Contreras, M. A.; Repins, I.; Moutinho, H. R.; Noufi, R.; Al-Jassim, M. M.

    2012-06-01

    Surface potential mapping of Cu(In,Ga)Se2 (CIGS) thin films using scanning Kelvin probe force microscopy (SKPFM) aims to understand the minority-carrier recombination at the grain boundaries (GBs) of this polycrystalline material by examining GB charging, which has resulted in a number of publications. However, the reported results are highly inconsistent. In this paper, we report on the potential mapping by measuring wide-bandgap or high-Ga-content films and by using a complementary atomic force microscopy-based electrical technique of scanning capacitance microscopy (SCM). The results demonstrate consistent, positively charged GBs on our high-quality films with minimal surface defects/charges. The potential image taken on a low-quality film with a 1.2-eV bandgap shows significantly degraded potential contrast on the GBs and degraded potential uniformity on grain surfaces, resulting from the surface defects/charges of the low-quality film. In contrast, the potential image on an improved high-quality film with the same wide bandgap shows significantly improved GB potential contrast and surface potential uniformity, indicating that the effect of surface defects is critical when examining GB charging using surface potential data. In addition, we discuss the effect of the SKPFM setup on the validity of potential measurement, to exclude possible artifacts due to improper SKPFM setups. The SKPFM results were corroborated by using SCM measurements on the films with a CdS buffer layer. The SCM image shows clear GB contrast, indicating different electrical impedance on the GB from the grain surface. Further, we found that the GB contrast disappeared when the CdS window layer was deposited after the CIGS film was exposed extensively to ambient, which was caused by the creation of CIGS surface defects by the ambient exposure.

  11. Effect of Substrate Configuration on the Grain Structure and Morphology of Electrodeposited Ni for Prototyping LIGA

    SciTech Connect (OSTI)

    Nacy Y. C. Yang

    2002-07-01

    Synchrotron X-ray lithographic molding of PMMA-Ti/Cu/Ti substrates has been developed and used in the electrodeposition of Ni microparts for prototype LIGA development at SNL, CA. Alternative molding processes that minimize x-ray beam line use and reduce processing time are of interest for the rapid fabrication of large quantities of microparts. The objective of this investigation is to examine, archive, and compare the grain structure and morphology of deposits produced from four different molding technologies currently under development. We conclude that deposit microstructure and uniformity are greatly influenced by substrate material and design configuration. The findings are summarized.

  12. Dynamic force matching: A method for constructing dynamical coarse-grained models with realistic time dependence

    SciTech Connect (OSTI)

    Davtyan, Aram; Dama, James F.; Voth, Gregory A.; Andersen, Hans C.

    2015-04-21

    Coarse-grained (CG) models of molecular systems, with fewer mechanical degrees of freedom than an all-atom model, are used extensively in chemical physics. It is generally accepted that a coarse-grained model that accurately describes equilibrium structural properties (as a result of having a well constructed CG potential energy function) does not necessarily exhibit appropriate dynamical behavior when simulated using conservative Hamiltonian dynamics for the CG degrees of freedom on the CG potential energy surface. Attempts to develop accurate CG dynamic models usually focus on replacing Hamiltonian motion by stochastic but Markovian dynamics on that surface, such as Langevin or Brownian dynamics. However, depending on the nature of the system and the extent of the coarse-graining, a Markovian dynamics for the CG degrees of freedom may not be appropriate. In this paper, we consider the problem of constructing dynamic CG models within the context of the Multi-Scale Coarse-graining (MS-CG) method of Voth and coworkers. We propose a method of converting a MS-CG model into a dynamic CG model by adding degrees of freedom to it in the form of a small number of fictitious particles that interact with the CG degrees of freedom in simple ways and that are subject to Langevin forces. The dynamic models are members of a class of nonlinear systems interacting with special heat baths that were studied by Zwanzig [J. Stat. Phys. 9, 215 (1973)]. The properties of the fictitious particles can be inferred from analysis of the dynamics of all-atom simulations of the system of interest. This is analogous to the fact that the MS-CG method generates the CG potential from analysis of equilibrium structures observed in all-atom simulation data. The dynamic models generate a non-Markovian dynamics for the CG degrees of freedom, but they can be easily simulated using standard molecular dynamics programs. We present tests of this method on a series of simple examples that demonstrate that

  13. A little drop will do it: Tiny grains of lithium can dramatically improve

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

    the performance of fusion plasmas | Princeton Plasma Physics Lab A little drop will do it: Tiny grains of lithium can dramatically improve the performance of fusion plasmas By Raphael Rosen May 22, 2015 Tweet Widget Google Plus One Share on Facebook Left: DIII-D tokamak. Right: Cross-section of plasma in which lithium has turned the emitted light green. (Credits: Left, General Atomics / Right, Steve Allen, Lawrence Livermore National Laboratory) Left: DIII-D tokamak. Right: Cross-section of

  14. A little drop will do it: Tiny grains of lithium can dramatically improve

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

    the performance of fusion plasmas | Princeton Plasma Physics Lab A little drop will do it: Tiny grains of lithium can dramatically improve the performance of fusion plasmas By Raphael Rosen May 22, 2015 Tweet Widget Google Plus One Share on Facebook Left: DIII-D tokamak. Right, Cross-section of plasma in which lithium has turned the emitted light green. (Credits: Left, General Atomics / Right: Steve Allen, Lawrence Livermore National Laboratory) Left: DIII-D tokamak. Right, Cross-section of

  15. W.C. Heraeus GmbH and its activities regarding large grain Niobium Discs

    SciTech Connect (OSTI)

    Spaniol, Bernd

    2007-08-09

    W.C. Heraeus is one of the leading companies in the field of precious and refractory metals. The refractory metals activities have been started in 1940. W.C. Heraeus is one of the qualified suppliers for high pure Niobium for the use in high-frequency-super-conducting cavities. The latest activities in that field are the development of a stable Electron-Beam-Melting and reliable cutting processes to produce large grain Niobium discs directly cut from the Ingot in an industrial scale. The first cavities out of these discs have been tested and are showing excellent magnetic properties.

  16. Grain Drier Project Report for task 2 dated July 1990 edited 1991, 1992. Follow up report

    SciTech Connect (OSTI)

    Frye, S.; Hall, R.; Lee, Myoung; Ouyang, Chieh

    1990-07-01

    One of the original projects undertaken under the cooperative agreement No. DE-FC04-87AL42558 between the Massachusetts Photovoltaic Program and the United States Department of Energy was to design, build, and test a grain drier which utilized solar energy effectively. Different grains have different drying requirements, and the grain drier team chose to design the drier for rice because of the worldwide economic importance of this staple food and also because of the challenges that drying rice presents. Rice loses much of its market value if it is exposed to large temperature changes while drying; therefore, a solar rice drier must be designed so as to try to level the temperature variations which naturally arise from the intermittency of the solar source. The design team committed itself early in the project to a hybrid concept, where solar energy is utilized in two ways: it is captured {open_quote}thermally{close_quote} in a rock-bed which acts at the same time as thermal storage and buffer, and it is converted {open_quote}directly{close_quote} in a small photovoltaic panel which generates electricity to power a small fan to circulate air through the rock-bed and the grain during daylight hours. At night, natural convection drives the air flow. The design of most of the system is flexible, in that the drier can be built with materials available at the intended site, with non-specialized labor. The team has purposely avoided any {open_quote}high tech{close_quote} solution which would increase the drier cost for third-world users. Therefore, the drier design does not incorporate selective surfaces or a vacuum, two common methods of enhancing solar thermal performance. The design does incorporate a small but relatively high value element, the PV panel and fan package. A major part of the group effort was devoted to data acquisition, to analyze the effects of different modifications on the drier performance. The results of the effort are summarized in this report.

  17. Opportunities to Apply Phase Change Materials to Building Enclosures

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

    Webinar | Department of Energy Opportunities to Apply Phase Change Materials to Building Enclosures Webinar Opportunities to Apply Phase Change Materials to Building Enclosures Webinar Slides from the Building America webinar on November 11, 2011. webinar_pcm_enclosures_20111111.pdf (2.99 MB) More Documents & Publications Building America Webinar: Opportunities to Apply Phase Change Materials to Building Enclosures Vehicle Technologies Office Merit Review 2016: ePATHS - electrical PCM

  18. 2008 Annual Merit Review Results Summary - 2. Applied Battery Research

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

    2-1 2. Applied Battery Research Introduction Applied battery research focuses on addressing the cross-cutting barriers facing the lithium-ion systems that are closest to meeting all of the technical energy and power requirements for hybrid electric vehicle (HEV) and electric vehicle (EV) applications. In addition, the applied battery research activity concentrates on technology transfer to ensure that the research results and lessons learned are effectively provided to U.S. automotive and

  19. Apply for the Parallel Computing Summer Research Internship

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

    How to Apply Apply for the Parallel Computing Summer Research Internship Creating next-generation leaders in HPC research and applications development Program Co-Lead Robert (Bob) Robey Email Program Co-Lead Gabriel Rockefeller Email Program Co-Lead Hai Ah Nam Email Professional Staff Assistant Nicole Aguilar Garcia (505) 665-3048 Email Current application deadline is February 5, 2016 with notification by early March 2016. Who can apply? Upper division undergraduate students and early graduate

  20. Where to Apply for Weatherization Assistance | Department of Energy

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

    You are here Home » Weatherization Assistance Program » Where to Apply for Weatherization Assistance Where to Apply for Weatherization Assistance To apply for weatherization assistance you need to contact your state weatherization agency. The U.S. Department of Energy (DOE) does not provide weatherization services or services of any kind to individuals. DOE also does not process applications-this process is handled by each state. How to Determine if You Are Eligible for Weatherization

  1. Building America Webinar: Opportunities to Apply Phase Change Materials to

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

    Building Enclosures | Department of Energy to Apply Phase Change Materials to Building Enclosures Building America Webinar: Opportunities to Apply Phase Change Materials to Building Enclosures This webinar, presented by research team Fraunhofer Center for Sustainable Energy Systems (CSE), reviewed basic physical characteristics and thermal properties of phase change materials (PCMs) and provided guidance on how to effectively apply PCMs in buildings in the United States.

  2. Apply: Funding Opportunity - Advancing Solutions to Improve Energy...

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

    Advancing Solutions to Improve Energy Efficiency of Commercial Buildings Apply: Funding Opportunity - Advancing Solutions to Improve Energy Efficiency of Commercial Buildings ...

  3. ENERGY STAR Webinar: How to Apply for the ENERGY STAR

    Broader source: Energy.gov [DOE]

    The U.S. Environmental Protection Agency (EPA) is hosting a webinar on how to apply for ENERGY STAR certification in Portfolio Manager.

  4. Identification of multi-modal plasma responses to applied magnetic...

    Office of Scientific and Technical Information (OSTI)

    Title: Identification of multi-modal plasma responses to applied magnetic ... Type: Publisher's Accepted Manuscript Journal Name: Physics of Plasmas Additional Journal ...

  5. Apply: Building Energy Efficiency Frontiers and Incubator Technologies...

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

    Building Energy Efficiency Frontiers and Incubator Technologies (BENEFIT) - 2014 (DE-FOA-0001027) Apply: Building Energy Efficiency Frontiers and Incubator Technologies (BENEFIT) - ...

  6. Attenuation-Based Remedies in the Subsurface Applied Field Research...

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

    The mission of the Attenuation Based Remedies in the Subsurface Applied Field Research Initiative is to seek holistic solutions to DOE's groundwater contamination problems that ...

  7. The generalized finite element method applied to the dynamic...

    Office of Scientific and Technical Information (OSTI)

    Title: The generalized finite element method applied to the dynamic response of heterogeneous media. Authors: Robbins, Joshua ; Voth, Thomas E. Publication Date: 2013-02-01 OSTI ...

  8. BLM Manual 2804: Applying for FLPMA Grants | Open Energy Information

    Open Energy Info (EERE)

    search OpenEI Reference LibraryAdd to library PermittingRegulatory Guidance - GuideHandbook: BLM Manual 2804: Applying for FLPMA GrantsPermittingRegulatory...

  9. Apply: Small Business Funding Opportunity for Lighting, Integrated...

    Office of Environmental Management (EM)

    Small Business Funding Opportunity for Lighting, Integrated Storage, and Distributed Generation Apply: Small Business Funding Opportunity for Lighting, Integrated Storage, and ...

  10. Crivelli, Silvia; Meza, Juan 60 APPLIED LIFE SCIENCES Ernest...

    Office of Scientific and Technical Information (OSTI)

    folding via divide-and-conquer optimization Oliva, Ricardo; Crivelli, Silvia; Meza, Juan 60 APPLIED LIFE SCIENCES Ernest Orlando Lawrence Berkeley NationalLaboratory, Berkeley, CA...

  11. Modular Applied General Equilibrium Tool (MAGNET) | Open Energy...

    Open Energy Info (EERE)

    Related Tools CRiSTAL Forests MCA4Climate - Guidance for scientifically sound climate change planning Environmental Impact and Sustainability Applied General Equilibrium Model...

  12. Applied Solar LLC formerly Open Energy Corp and Barnabus Energy...

    Open Energy Info (EERE)

    Open Energy Corp and Barnabus Energy Inc Jump to: navigation, search Name: Applied Solar LLC (formerly Open Energy Corp and Barnabus Energy Inc) Place: San Diego, California...

  13. Building America Whole-House Solutions for Existing Homes: Applying...

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

    Building America Whole-House Solutions for Existing Homes: Applying Best Practices to Florida Local Government Retrofit Programs - Central Florida (Fact Sheet) Building America ...

  14. Overview of Applied Battery Research | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    4_henriksen.pdf (802.95 KB) More Documents & Publications Overview of Applied Battery Research Electrochemistry Diagnostics at LBNL ELECTROCHEMISTRY DIAGNOSTICS AT LBNL

  15. Applied Studies and Technology (AS&T) | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    Applied Studies and Technology (AS&T) DOE established the Environmental Sciences Laboratory (ESL) in Grand Junction, Colorado, in 1991 to support its programs. ESL scientists ...

  16. Applied Materials Switzerland SA Formerly HCT Shaping Systems...

    Open Energy Info (EERE)

    Switzerland SA Formerly HCT Shaping Systems SA Jump to: navigation, search Name: Applied Materials Switzerland SA (Formerly HCT Shaping Systems SA) Place: Chezeaux, Switzerland...

  17. D&D Toolbox Project - Technology Demonstration of Fixatives Applied...

    Broader source: Energy.gov (indexed) [DOE]

    D&D Toolbox Project - Technology Demonstration of Fixatives Applied to Hot Cell Facilities via Remote Sprayer Platforms (215.59 KB) More Documents & Publications Demonstration of ...

  18. Expert Meeting Report: Recommendations for Applying Water Heaters...

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

    Recommendations for Applying Water Heaters in Combination Space and Domestic Water Heating Systems A. Rudd, K. Ueno, D. Bergey, R. Osser Building Science Corporation June 2012 i ...

  19. Building America Whole-House Solutions for Existing Homes: Applying...

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

    Homes: Applying Best Practices to Florida Local Government Retrofit Programs - Central Florida (Fact Sheet) Building America Whole-House Solutions for Existing Homes: ...

  20. Solar Applied Materials Technology Corp | Open Energy Information

    Open Energy Info (EERE)

    Name: Solar Applied Materials Technology Corp Place: Tainan, Taiwan Product: Taiwan's material process specialists with over 20 years experience and in the areas of sputtering...

  1. Energy Department Announces Up to $14 Million for Applying Landscape...

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

    Applying landscape design to bioenergy production systems is a promising approach for meeting multiple environmental, social, and economic objectives, such as maintaining or ...

  2. Webinar "Applying High Performance Computing to Engine Design...

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

    Webinar "Applying High Performance Computing to Engine Design Using Supercomputers" Share ... Study Benefits of Bioenergy Crop Integration Video: Biofuel technology at Argonne

  3. D&D Toolbox Project - Technology Demonstration of Fixatives Applied...

    Office of Environmental Management (EM)

    D&D activities, performed by Florida International University's Applied Research Center ... and selected for integration with a commercially available remotely operated platform. ...

  4. Am Shav Technological Applied Development Center | Open Energy...

    Open Energy Info (EERE)

    Technological Applied Development Center Place: Israel Sector: Services Product: General Financial & Legal Services ( Private family-controlled ) References: Am-Shav...

  5. Equal Channel Angular Pressing (ECAP) and Its Application to Grain Refinement of Al-Zn-Mg-Cu Alloy

    SciTech Connect (OSTI)

    Tekeli, Sueleyman; Gueral, Ahmet

    2011-12-10

    Microstructure of a metal can be considerably changed by severe plastic deformation techniques such as high pressure torsion, extrusion and equal-channel angular pressing (ECAP). Among these methods, ECAP is particularly attractive because it has a potential for introducing significant grain refinement and homogeneous microstructure into bulk materials. Typically, it reduces the grain size to the submicrometer level or even nanometer range and thus produces materials that are capable of exhibiting unusual mechanical properties. In the present study, a test unites for equal channel angular pressing was constructed and this system was used for Al-Zn-Mg-Cu alloy. After the optimization tests, it was seen that the most effective lubricant for the dies was MoS{sub 2}, the pressing pressure was around 25-35 ton and the pressing speed was 2 mm/s. By using these parameters, the Al-Zn-Mg-Cu alloy was successfully ECAPed up to 14 passes at 200 deg. C using route C. After ECAP tests, the specimens were characterized by transmission electron microscope (TEM), hardness and macrostructural investigations. It was seen that the plastic deformation in the ECAPed specimens occurred from edge to the centre like whirlpool. In addition, the deformation intensity increased with increasing pass number. The grain size of the specimens effectively also decreased with increasing pass number. That is, while the grain size of unECAPed specimen was 10 {mu}m, this value decreased to 300 nm after 14 passes. At the beginning, while there was a banding tendency in the grains toward deformation direction, homogeneous and equiaxed grains were formed with increasing pass number. This grain refinement was as a result of an interaction between shear strain and thermal recovery during ECAP processing. Hardness measurements showed that the hardness values increased up to 4 passes, decreased effectively at 6th pass, again increased at 8th pass and after this pass, the hardness again decreased due to

  6. Visualizing nanoscale excitonic relaxation properties of disordered edges and grain boundaries in monolayer molybdenum disulfide

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

    Bao, Wei; Borys, Nicholas J.; Ko, Changhyun; Suh, Joonki; Fan, Wen; Thron, Andrew; Zhang, Yingjie; Buyanin, Alexander; Zhang, Jie; Cabrini, Stefano; et al

    2015-08-13

    The ideal building blocks for atomically thin, flexible optoelectronic and catalytic devices are two-dimensional monolayer transition metal dichalcogenide semiconductors. Although challenging for two-dimensional systems, sub-diffraction optical microscopy provides a nanoscale material understanding that is vital for optimizing their optoelectronic properties. We use the ‘Campanile’ nano-optical probe to spectroscopically image exciton recombination within monolayer MoS2 with sub-wavelength resolution (60 nm), at the length scale relevant to many critical optoelectronic processes. Moreover, synthetic monolayer MoS2 is found to be composed of two distinct optoelectronic regions: an interior, locally ordered but mesoscopically heterogeneous two-dimensional quantum well and an unexpected ~300-nm wide, energetically disorderedmore » edge region. Further, grain boundaries are imaged with sufficient resolution to quantify local exciton-quenching phenomena, and complimentary nano-Auger microscopy reveals that the optically defective grain boundary and edge regions are sulfur deficient. In conclusion, the nanoscale structure–property relationships established here are critical for the interpretation of edge- and boundary-related phenomena and the development of next-generation two-dimensional optoelectronic devices.« less

  7. Segregation and Migration of the Oxygen Vacancies in the 3 (111) Tilt Grain Boundaries of Ceria

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

    Yuan, Fenglin; Liu, Bin; Zhang, Yanwen; Weber, William J.

    2016-03-01

    In nanocrystalline materials, defect-grain boundary (GB) interaction plays a key role in determining the structure stability, as well as size-dependent ionic, electronic, magnetic and chemical properties. In this study, we systematically investigated using density functional theory segregation and migration of oxygen vacancies at the Σ3 [110] / (111) grain boundary of ceria. Three oxygen layers near the GB are predicted to be segregation sites for oxygen vacancies. Moreover, the presence of oxygen vacancies stabilizes this tilt GB at a low Fermi level and/or oxygen poor conditions. An atomic strain model was proposed to rationalize layer dependency of the relaxation energymore » for +2 charged oxygen vacancy. The structural origin of large relaxation energies at layers 1 and 2 was determined to be free-volume space that induces ion relaxation towards the GB. Our results not only pave the way for improving the oxygen transport near GBs of ceria, but also provide important insights into engineering the GB structure for better ionic, magnetic and chemical properties of nanocrystalline ceria.« less

  8. Size and grain morphology dependent magnetic behaviour of Co-doped ZnO

    SciTech Connect (OSTI)

    Vagadia, Megha; Ravalia, Ashish; Khachar, Uma; Solanki, P.S.; Doshi, R.R.; Rayaprol, S.; Kuberkar, D.G.

    2011-11-15

    Highlights: {yields} Structure and magnetic studies on Co-doped ZnO. {yields} Synthesis method dependent comparison of magnetic properties. {yields} Grain size and morphology affect the magnetic properties of Co-doped ZnO. -- Abstract: We have carried out a comparative study of structural, microstructural and magnetic properties of the two sets of Co-doped ZnO samples synthesized using solid state reaction and sol-gel method. Rietveld refinement of the X-ray diffraction data reveals single phase hexagonal wurtzite structure for all the samples, while the tunnelling electron microscopy measurements show the presence of nano-phase in the sol-gel grown Co-doped ZnO samples. It is found that, the microstructure strongly depends on the synthesis method adopted. Samples with higher Co-concentration synthesized by SSR route exhibit antiferromagnetism while SG grown Co-doped ZnO samples exhibit weak ferromagnetic behaviour. Improved magnetic phase in the SG grown samples has been attributed to the grain morphology.

  9. Low pressure shock initiation of porous HMX for two grain size distributions and two densities

    SciTech Connect (OSTI)

    Gustavsen, R.L.; Sheffield, S.A.; Alcon, R.R.

    1995-09-01

    Shock initiation measurements have been made on granular HMX (octotetramethylene tetranitrainine) for two particle size distributions and two densities. Samples were pressed to either 65% or 73% of crystal density from fine ({approx} 10 {mu}m grain size) and coarse (broad distribution of grain sizes peaking at {approx} 150 {mu}m) powders. Planar shocks of 0.2--1 GPa were generated by impacting gas gun driven projectiles on plastic targets containing the HMX. Wave profiles were measured at the input and output of the {approx} 3.9 mm thick HMX layer using electromagnetic particle velocity gauges. The initiation behavior for the two particle size distributions was very different. The coarse HMX began initiating at input pressures as low as 0.5 GPa. Transmitted wave profiles showed relatively slow reaction with most of the buildup occurring at the shock front. In contrast, the fine particle HMX did not begin to initiate at pressures below 0.9 GPa. When the fine powder did react, however, it did so much faster than the coarse HMX. These observations are consistent with commonly held ideas about bum rates being correlated to surface area, and initiation thresholds being correlated with the size and temperature of the hot spots created by shock passage. For each size, the higher density pressings were less sensitive than the lower density pressings.

  10. Composition for applying antireflective coating on solar cell

    SciTech Connect (OSTI)

    Whitehouse, D.L.

    1983-10-25

    A method is disclosed, and the composition, for the application of an antireflective coating on solar cells and the subsequent application of metal contacts comprising applying a screen to the surface of a solar cell, applying a paste comprising a metal alkoxide over the screen, heat treating the cell and metal alkoxide paste, and nickel plating the resultant cell.

  11. Method for applying antireflective coating on solar cell

    SciTech Connect (OSTI)

    Whitehouse, D.L.

    1982-05-04

    A method for the application and the composition of an antireflective coating on solar cells and the subsequent application of metal contacts comprises applying a screen to the surface of a solar cell, applying a paste comprising a metal alkoxide over the screen, heat treating the cell and metal alkoxide paste, and nickel plating the resultant cell.

  12. Computational Advances in Applied Energy | Department of Energy

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

    Computational Advances in Applied Energy Computational Advances in Applied Energy Friedmann-LLNL-SEAB.10.11.pdf (19.92 MB) More Documents & Publications Director's Perspective by George Miller Fact Sheet: Collaboration of Oak Ridge, Argonne, and Livermore (CORAL) QER - Comment of Canadian Hydropower Association

  13. ENERGY STAR Webinar: How to Apply for the ENERGY STAR

    Broader source: Energy.gov [DOE]

    The U.S. Environmental Protection Agency (EPA) is hosting a webinar on how to apply for ENERGY STAR certification in Portfolio Manager. Understand the value of the ENERGY STAR certification, see the step-by-step process of applying, and gain tips to help your property get from application to award.

  14. Applied research in the solar thermal-energy-systems program

    SciTech Connect (OSTI)

    Brown, C. T.; Lefferdo, J. M.

    1981-03-01

    Within the Solar Thermal Research and Advanced Development (RAD) program a coordinated effort in materials research, fuels and chemical research and applied research is being carried out to meet the systems' needs. Each of these three program elements are described with particular attention given to the applied research activity.

  15. Deep Vadose Zone Applied Field Research Initiative (DVZ AFRI) - Overview

    SciTech Connect (OSTI)

    2011-02-01

    The Deep Vadoze Zone Applied Field Research Initiative (DVZ AFRI) was established to protect water resources and to address the challenge of preventing contamination in the deep vadose zone from reaching groundwater. This factsheet provides an overview of the initiative and the approach to integrate basic science and needs-driven applied research activities with cleanup operations.

  16. ENERGY STAR Webinar: How to Apply for ENERGY STAR

    Broader source: Energy.gov [DOE]

    The U.S. Environmental Protection Agency (EPA) ENERGY STAR is hosting a webinar on how to apply for ENERGY STAR Certification in Portfolio Manager. Understand the value of the ENERGY STAR certification, see the step-by-step process of applying, and gain tips to help your property get from application to award.

  17. Observation and modeling of polycrystalline grain formation in Ge{sub 2}Sb{sub 2}Te{sub 5}

    SciTech Connect (OSTI)

    Burr, Geoffrey W.; Tchoulfian, Pierre; Topuria, Teya; Nyffeler, Clemens; Virwani, Kumar; Padilla, Alvaro; Shelby, Robert M.; Eskandari, Mona; Jackson, Bryan; Lee, Bong-Sub

    2012-05-15

    The relationship between the polycrystalline nature of phase change materials (such as Ge{sub 2}Sb{sub 2}Te{sub 5}) and the intermediate resistance states of phase change memory (PCM) devices has not been widely studied. A full understanding of such states will require knowledge of how polycrystalline grains form, how they interact with each other at various temperatures, and how the differing electrical (and thermal) characteristics within the grains and at their boundaries combine through percolation to produce the externally observed electrical (and thermal) characteristics of a PCM device. We address the first of these tasks (and introduce a vehicle for the second) by studying the formation of fcc polycrystalline grains from the as-deposited amorphous state in undoped Ge{sub 2}Sb{sub 2}Te{sub 5}. We perform ex situ transmission electron microscopy membrane experiments and then match these observations against numerical simulation. Ramped-anneal experiments show that the temperature ramp-rate strongly influences the median grain size. By truncating such ramped-anneal experiments at various peak temperatures, we convincingly demonstrate that the temperature range over which these grains are established is quite narrow. Subsequent annealing at elevated temperature appears to change these established distributions of grain sizes only slightly. Our numerical simulator--which models nuclei formation through classical nucleation theory and then tracks the subsequent time- and temperature-dependent growth of these grains--can match these experimental observations of initial grain distributions and crystallization temperature both qualitatively and quantitatively. These simulations show that the particular narrow temperature range over which crystallization occurs shifts as a function of temperature ramp-rate, which allows us to quantify the lower portions of the time-temperature-transformation map for Ge{sub 2}Sb{sub 2}Te{sub 5}. Future experiments and extensions of

  18. Effects of rolling temperature and subsequent annealing on mechanical properties of ultrafine-grained Cu–Zn–Si alloy

    SciTech Connect (OSTI)

    Zhang, Xiangkai; Yang, Xuyue; Chen, Wei; Qin, Jia; Fouse, Jiaping

    2015-08-15

    The effects of rolling temperature and subsequent annealing on mechanical properties of Cu–Zn–Si alloy were investigated by using X-ray diffraction, transmission electron microscope, electron back scattered diffraction and tensile tests. The Cu–Zn–Si alloy has been processed at cryogenic temperature (approximately 77 K) and room temperature up to different rolling strains. It has been identified that the cryorolled Cu–Zn–Si alloy samples show a higher strength compared with those room temperature rolled samples. The improved strength of cryorolled samples is resulted from grain size effect and higher densities of dislocations and deformation twins. And subsequent annealing, as a post-heat treatment, enhanced the ductility. An obvious increase in uniform elongation appears when the volume fraction of static recrystallization grains exceeds 25%. The strength–ductility combination of the annealed cryorolled samples is superior to that of annealed room temperature rolled samples, owing to the finer grains, high fractions of high angle grain boundaries and twins. - Highlights: • An increase in hardness of Cu–Zn–Si alloy is noticed during annealing process. • Thermal stability is reduced in Cu–Zn–Si alloy by cryorolling. • An obvious enhancement in UE is noticed when fraction of SRX grains exceeds 25%. • A superior strength–ductility combination is achieved in the cryorolling samples.

  19. Enhanced performance of CdS/CdTe thin-film devices through temperature profiling techniques applied to close-spaced sublimation deposition

    SciTech Connect (OSTI)

    Xiaonan Li; Sheldon, P.; Moutinho, H.; Matson, R.

    1996-05-01

    The authors describe a methodology developed and applied to the close-spaced sublimation technique for thin-film CdTe deposition. The developed temperature profiles consisted of three discrete temperature segments, which the authors called the nucleation, plugging, and annealing temperatures. They have demonstrated that these temperature profiles can be used to grow large-grain material, plug pinholes, and improve CdS/CdTe photovoltaic device performance by about 15%. The improved material and device properties have been obtained while maintaining deposition temperatures compatible with commercially available substrates. This temperature profiling technique can be easily applied to a manufacturing environment by adjusting the temperature as a function of substrate position instead of time.

  20. Examinations of Oxidation and Sulfidation of Grain Boundaries in Alloy 600 Exposed to Simulated Pressurized Water Reactor Primary Water

    SciTech Connect (OSTI)

    Schreiber, Daniel K.; Olszta, Matthew J.; Saxey, David W.; Kruska, Karen; Moore, K. L.; Lozano-Perez, Sergio; Bruemmer, Stephen M.

    2013-06-01

    High-resolution characterizations of intergranular attack in alloy 600 (Ni-17Cr-9Fe) exposed to 325 C simulated pressurized water reactor (PWR) primary water have been conducted using a combination of scanning electron microscopy, NanoSIMS, analytical transmission electron microscopy and atom probe tomography. The intergranular attack exhibited a two-stage microstructure that consisted of continuous corrosion/oxidation to a depth of ~200 nm from the surface followed by discrete Cr-rich sulfides to a further depth of ~500 nm. The continuous oxidation region contained primarily nanocrystalline MO-structure oxide particles and ended at Ni-rich, Cr-depleted grain boundaries with spaced CrS precipitates. Three-dimensional characterization of the sulfidized region using site-specific atom probe tomography revealed extraordinary grain boundary composition changes, including total depletion of Cr across a several nm wide dealloyed zone as a result of grain boundary migration.

  1. Comminution process to produce engineered wood particles of uniform size and shape with disrupted grain structure from veneer

    DOE Patents [OSTI]

    Dooley, James H; Lanning, David N

    2013-07-30

    Comminution process of wood veneer to produce wood particles, by feeding wood veneer in a direction of travel substantially normal to grain through a counter rotating pair of intermeshing arrays of cutting discs arrayed axially perpendicular to the direction of veneer travel, wherein the cutting discs have a uniform thickness (Td), to produce wood particles characterized by a length dimension (L) substantially equal to the Td and aligned substantially parallel to grain, a width dimension (W) normal to L and aligned cross grain, and a height dimension (H) substantially equal to the veneer thickness (Tv) and aligned normal to W and L, wherein the W.times.H dimensions define a pair of substantially parallel end surfaces with end checking between crosscut fibers.

  2. Simulation of xenon, uranium vacancy and interstitial diffusion and grain boundary segregation in UO2

    SciTech Connect (OSTI)

    Andersson, Anders D.; Tonks, Michael R.; Casillas, Luis; Nerikar, Pankaj; Vyas, Shyam; Uberuaga, Blas P.; Stanek, Christopher R.

    2014-10-31

    In light water reactor fuel, gaseous fission products segregate to grain boundaries, resulting in the nucleation and growth of large intergranular fission gas bubbles. Based on the mechanisms established from density functional theory (DFT) and empirical potential calculations 1, continuum models for diffusion of xenon (Xe), uranium (U) vacancies and U interstitials in UO2 have been derived for both intrinsic conditions and under irradiation. Segregation of Xe to grain boundaries is described by combining the bulk diffusion model with a model for the interaction between Xe atoms and three different grain boundaries in UO2 ( Σ5 tilt, Σ5 twist and a high angle random boundary),as derived from atomistic calculations. All models are implemented in the MARMOT phase field code, which is used to calculate effective Xe and U diffusivities as well as redistribution for a few simple microstructures.

  3. Anomalous grain growth in the surface region of a nanocrystalline CeO2 film under low-temperature heavy ion irradiation

    SciTech Connect (OSTI)

    Edmondson, Philip D.; Zhang, Yanwen; Moll, Sandra J.; Varga, Tamas; Namavar, Fereydoon; Weber, William J.

    2012-06-15

    Grain growth and phase stability of nanocrystalline ceria are investigated under ion irradiation at different temperatures. Irradiations at temperatures of 300 and 400 K result in uniform grain growth throughout the film. Anomalous grain growth is observed in thin films of nanocrystalline ceria under 3 MeV Au+ irradiation at 160 K. At this low temperature, significant grain growth is observed within 100 nm from the surface, no obvious growth is detected in the rest of the films. While the grain growth is attributed to a defect-stimulated mechanism at room temperature and above, a defect diffusion-limited mechanism is significant at low temperature with the primary defect responsible being the oxygen vacancy. The nanocrystalline grains remain in the cubic phase regardless of defect kinetics.

  4. Study of grain boundary segregation using the Auger electron emission technique. Annual Technical Progress Report January 1, 1979-December 31, 1979

    SciTech Connect (OSTI)

    Stein, D. F.; Heldt, L. A.; Funkenbusch, A. W.

    1980-01-01

    The influence of grain boundary chemical composition on hydrogen embrittlement was investigated. Auger electron spectroscopy was employed to determine the grain boundary compositions of nickel-copper alloys containing various concentrations of phosphorus and subjected to various thermal treatments. Phosphorus segregates to grain boundaries during slow cooling, accompanied by reduced concentrations of grain boundary copper. Tensile tests were conducted in air and following cathodic charging with hydrogen. All samples tested in air exhibited a completely ductile fracture; ductility was insensitive to grain boundary composition. Fractures of hydrogen-charged samples were brittle and intergranular; elongation to fracture increased significantly with increasing concentration of grain boundary phosphorus. The influence of phosphorus segregation on embrittlement by hydrogen or by mercury (reported previously) is analyzed in terms of additive and interactive mechanisms. A mechanism based on reduced embrittler concentration at the site of bond rupture due to improved atomic packing is proposed and found to be consistent with the experimental results of this and other investigations.

  5. CX-100656 Categorical Exclusion Determination | Department of Energy

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

    6 Categorical Exclusion Determination CX-100656 Categorical Exclusion Determination Improving reliability and reducing cost in CdTe photovoltaics via grain boundary engineering Award Number: DE-EE0007545 CX(s) Applied: A9, B3.6 Solar Energy Technologies Office Date: 7/12/2016 Location(s): IL Office(s): Golden Field Office The U.S. Department of Energy (DOE) is proposing to provide federal funding to the University of Illinois at Chicago (UIC) to develop a multi-scale approach that will bridge

  6. Amphoteric doping of praseodymium Pr3+ in SrTiO3 grain boundaries

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

    Yang, H.; Lee, H. S.; Kotula, P. G.; Sato, Y.; Ikuhara, Y.; Browning, N. D.

    2015-03-26

    Charge Compensation in rare-earth Praseodymium (Pr3+) doped SrTiO3 plays an important role in determining the overall photoluminescence properties of the system. Here, the Pr3+ doping behavior in SrTiO3 grain boundaries (GBs) is analyzed using aberration corrected scanning transmission electron microscopy (STEM). The presence of Pr3+ induces structure variations and changes the statistical prevalence of GB structures. In contrast to the assumption that Pr3+ substitutes for A site as expected in the bulk, Pr3+ is found to substitute both Sr and Ti sites inside GBs with the highest concentration in the Ti sites. As a result, this amphoteric doping behavior inmore »the boundary plane is further confirmed by first principles theoretical calculations.« less

  7. Modeling the influence of bubble pressure on grain boundary separation and fission gas release

    SciTech Connect (OSTI)

    Pritam Chakraborty; Michael R. Tonks; Giovanni Pastore

    2014-09-01

    Grain boundary (GB) separation as a mechanism for fission gas release (FGR), complementary to gas bubble interlinkage, has been experimentally observed in irradiated light water reactor fuel. However there has been limited effort to develop physics-based models incorporating this mechanism for the analysis of FGR. In this work, a computational study is carried out to investigate GB separation in UO2 fuel under the effect of gas bubble pressure and hydrostatic stress. A non-dimensional stress intensity factor formula is obtained through 2D axisymmetric analyses considering lenticular bubbles and Mode-I crack growth. The obtained functional form can be used in higher length-scale models to estimate the contribution of GB separation to FGR.

  8. Computer simulation study of the structure of vacancies in grain boundaries

    SciTech Connect (OSTI)

    Brokman, A.; Bristowe, P.D.; Balluffi, R.W.

    1981-01-01

    The structure of vacancies in grain boundaries has been investigated by computer molecular statics employing pairwise potentials. In order to gain an impression of the vacancy structures which may occur generally, a number of variables was investigated including: metal type, boundary type, degree of lattice coincidence and choice of boundary site. In all cases the vacancies remained as distinguishable point defects in the relatively irregular boundary structures. However, it was found that the vacancy often induced relatively large atomic displacements in the core of the boundary. These displacements often occurred only in the direct vicinity of the vacancy, but in certain cases they were widely distributed in the boundary, sometimes at surprisingly large distances.

  9. Amphoteric doping of praseodymium Pr3+ in SrTiO3 grain boundaries

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

    Yang, H.; Lee, H. S.; Kotula, P. G.; Sato, Y.; Ikuhara, Y.; Browning, N. D.

    2015-03-26

    Charge Compensation in rare-earth Praseodymium (Pr3+) doped SrTiO3 plays an important role in determining the overall photoluminescence properties of the system. Here, the Pr3+ doping behavior in SrTiO3 grain boundaries (GBs) is analyzed using aberration corrected scanning transmission electron microscopy (STEM). The presence of Pr3+ induces structure variations and changes the statistical prevalence of GB structures. In contrast to the assumption that Pr3+ substitutes for A site as expected in the bulk, Pr3+ is found to substitute both Sr and Ti sites inside GBs with the highest concentration in the Ti sites. As a result, this amphoteric doping behavior inmore » the boundary plane is further confirmed by first principles theoretical calculations.« less

  10. A temperature-dependent coarse-grained model for the thermoresponsive polymer poly(N-isopropylacrylamide)

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

    Abbott, Lauren J.; Stevens, Mark J.

    2015-12-22

    In this study, a coarse-grained (CG) model is developed for the thermoresponsive polymer poly(N-isopropylacrylamide) (PNIPAM), using a hybrid top-down and bottom-up approach. Nonbonded parameters are fit to experimental thermodynamic data following the procedures of the SDK (Shinoda, DeVane, and Klein) CG force field, with minor adjustments to provide better agreement with radial distribution functions from atomistic simulations. Bonded parameters are fit to probability distributions from atomistic simulations using multi-centered Gaussian-based potentials. The temperature-dependent potentials derived for the PNIPAM CG model in this work properly capture the coil–globule transition of PNIPAM single chains and yield a chain-length dependence consistent with atomisticmore » simulations.« less

  11. A temperature-dependent coarse-grained model for the thermoresponsive polymer poly(N-isopropylacrylamide)

    SciTech Connect (OSTI)

    Abbott, Lauren J.; Stevens, Mark J.

    2015-12-22

    In this study, a coarse-grained (CG) model is developed for the thermoresponsive polymer poly(N-isopropylacrylamide) (PNIPAM), using a hybrid top-down and bottom-up approach. Nonbonded parameters are fit to experimental thermodynamic data following the procedures of the SDK (Shinoda, DeVane, and Klein) CG force field, with minor adjustments to provide better agreement with radial distribution functions from atomistic simulations. Bonded parameters are fit to probability distributions from atomistic simulations using multi-centered Gaussian-based potentials. The temperature-dependent potentials derived for the PNIPAM CG model in this work properly capture the coil–globule transition of PNIPAM single chains and yield a chain-length dependence consistent with atomistic simulations.

  12. Influence of interface mobility on the evolution of Austenite-Martensite grain assemblies during annealing

    SciTech Connect (OSTI)

    Clarke, Amy J; Santofimia, Maria J; Speer, John G; Zhao, L; Sietsma, Jilt

    2009-01-01

    The quenching and partitioning (Q&P) process is a new heat treatment for the creation of advanced high-strength steels. This treatment consists of an initial partial or full austenitization, followed by a quench to form a controlled amount of martensite and an annealing step to partition carbon atoms from the martensite to the austenite. In this work, the microstructural evolution during annealing of martensite-austenite grain assemblies has been analyzed by means of a modeling approach that considers the influence of martensite-austenite interface migration on the kinetics of carbon partitioning. Carbide precipitation is precluded in the model, and three different assumptions about interface mobility are considered, ranging from a completely immobile interface to the relatively high mobility of an incoherent ferrite-austenite interface. Simulations indicate that different interface mobilities lead to profound differences in the evolution of microstructure that is predicted during annealing.

  13. Resistance spot welding of ultra-fine grained steel sheets produced by constrained groove pressing: Optimization and characterization

    SciTech Connect (OSTI)

    Khodabakhshi, F.; Kazeminezhad, M., E-mail: mkazemi@sharif.edu; Kokabi, A.H.

    2012-07-15

    Constrained groove pressing as a severe plastic deformation method is utilized to produce ultra-fine grained low carbon steel sheets. The ultra-fine grained sheets are joined via resistance spot welding process and the characteristics of spot welds are investigated. Resistance spot welding process is optimized for welding of the sheets with different severe deformations and their results are compared with those of as-received samples. The effects of failure mode and expulsion on the performance of ultra-fine grained sheet spot welds have been investigated in the present paper and the welding current and time of resistance spot welding process according to these subjects are optimized. Failure mode and failure load obtained in tensile-shear test, microhardness, X-ray diffraction, transmission electron microscope and scanning electron microscope images have been used to describe the performance of spot welds. The region between interfacial to pullout mode transition and expulsion limit is defined as the optimum welding condition. The results show that optimum welding parameters (welding current and welding time) for ultra-fine grained sheets are shifted to lower values with respect to those for as-received specimens. In ultra-fine grained sheets, one new region is formed named recrystallized zone in addition to fusion zone, heat affected zone and base metal. It is shown that microstructures of different zones in ultra-fine grained sheets are finer than those of as-received sheets. - Highlights: Black-Right-Pointing-Pointer Resistance spot welding process is optimized for joining of UFG steel sheets. Black-Right-Pointing-Pointer Optimum welding current and time are decreased with increasing the CGP pass number. Black-Right-Pointing-Pointer Microhardness at BM, HAZ, FZ and recrystallized zone is enhanced due to CGP.

  14. Small-angle neutron scattering measurement of deuterium trapping at dislocations and grain boundaries in palladium

    SciTech Connect (OSTI)

    Heuser, B.J.

    1991-01-01

    Small angle neutron scattering measurements have been performed on deformed single and polycrystalline palladium with and without deuterium dissolved in the solution phase at room temperature. The purpose of these experiments was to directly measure the spatial distribution of trapped deuterium at dislocations in the deformed metal. The net scattering cross section for the same smaple with and without deuterium shows a behavior expected from deuterium correlation with dislocations froming rod-like scattering structures. The measured cross sections indicate the trapped deuterium is within 2 to 3 Burgers vectors of the dislocation core. On average 1 to 3 deuterons per {angstrom} are trapped at the dislocations in the deformed samples. The measurements also indicate the straight, rod-like correlation geometry extends on average 50 to 100 {angstrom} along the dislocations. Dislocation densities on the order of 5 {times} 10{sup 11} cm/cm{sup 3} were found for all samples investigated. Net scattering from a well annealed polycrystalline palladium sample exhibiting a behavior expected from spherical shells has been observed. This net scattering is attributed to deuterium trapping at grain boundaries in the polycrystalline sample. net scattering in excess of that expected from deuterium correlated at dislocations was also observed in a deformed polycrystalline measurement. This too is attributed to deuterium trapping at grain boundaries. The dislocation substructure of the deformed palladium samples was characterized by transmission electron microscopy (TEM). This analysis illustrated the cellular arrangement that evolved in palladium during cold working. The presence of MnO particles also was confirmed by TEM analysis.

  15. Computational Capabilities for Predictions of Interactions at the Grain Boundary of Refractory Alloys

    SciTech Connect (OSTI)

    Sengupta, Debasis; Kwak, Shaun; Vasenkov, Alex; Shin, Yun Kyung; Duin, Adri van

    2014-09-30

    New high performance refractory alloys are critically required for improving efficiency and decreasing CO2 emissions of fossil energy systems. The development of these materials remains slow because it is driven by a trial-and-error experimental approach and lacks a rational design approach. Atomistic Molecular Dynamic (MD) design has the potential to accelerate this development through the prediction of mechanical properties and corrosion resistance of new materials. The success of MD simulations depends critically on the fidelity of interatomic potentials. This project, in collaboration with Penn State, has focused on developing and validating high quality quantum mechanics based reactive potentials, ReaxFF, for Ni-Fe-Al-Cr-O-S system. A larger number of accurate density functional theory (DFT) calculations were performed to generate data for parameterizing the ReaxFF potentials. These potentials were then used in molecular dynamics (MD) and molecular dynamics-Monte Carlo (MD-MC) for much larger system to study for which DFT calculation would be prohibitively expensive, and to understand a number of chemical phenomena Ni-Fe-Al-Cr-O-S based alloy systems . These include catalytic oxidation of butane on clean Cr2O3 and pyrite/Cr2O3, interfacial reaction between Cr2O3 (refractory material) and Al2O3 (slag), cohesive strength of at the grain boundary of S-enriched Cr compared to bulk Cr and Ssegregation study in Al, Al2O3, Cr and Cr2O3 with a grain structure. The developed quantum based ReaxFF potential are available from the authors upon request. During this project, a number of papers were published in peer-reviewed journals. In addition, several conference presentations were made.

  16. Computational Capabilities for Predictions of Interactions at the Grain Boundary of Refractory Alloys

    SciTech Connect (OSTI)

    Sengupta, Debasis; Kwak, Shaun; Vasenkov, Alex; Shin, Yun Kyung; Duin, Adri van

    2014-09-30

    New high performance refractory alloys are critically required for improving efficiency and decreasing CO2 emissions of fossil energy systems. The development of these materials remains slow because it is driven by a trial-and-error experimental approach and lacks a rational design approach. Atomistic Molecular Dynamic (MD) design has the potential to accelerate this development through the prediction of mechanical properties and corrosion resistance of new materials. The success of MD simulations depends critically on the fidelity of interatomic potentials. This project, in collaboration with Penn State, has focused on developing and validating high quality quantum mechanics based reactive potentials, ReaxFF, for Ni-Fe-Al-Cr-O-S system. A larger number of accurate density functional theory (DFT) calculations were performed to generate data for parameterizing the ReaxFF potentials. These potentials were then used in molecular dynamics (MD) and molecular dynamics-Monte Carlo (MD-MC) for much larger system to study for which DFT calculation would be prohibitively expensive, and to understand a number of chemical phenomena Ni-Fe-Al-Cr-O-S based alloy systems . These include catalytic oxidation of butane on clean Cr2O3 and pyrite/Cr2O3, interfacial reaction between Cr2O3 (refractory material) and Al2O3 (slag), cohesive strength of at the grain boundary of S-enriched Cr compared to bulk Cr and Ssegregation study in Al, Al2O3, Cr and Cr2O3 with a grain structure. The developed quantum based ReaxFF potential are available from the authors upon request. During this project, a number of papers were published in peer-reviewed journals. In addition, several conference presentations were made.

  17. MIXING AND TRANSPORT OF SHORT-LIVED AND STABLE ISOTOPES AND REFRACTORY GRAINS IN PROTOPLANETARY DISKS

    SciTech Connect (OSTI)

    Boss, Alan P.

    2013-08-10

    Analyses of primitive meteorites and cometary samples have shown that the solar nebula must have experienced a phase of large-scale outward transport of small refractory grains as well as homogenization of initially spatially heterogeneous short-lived isotopes. The stable oxygen isotopes, however, were able to remain spatially heterogeneous at the {approx}6% level. One promising mechanism for achieving these disparate goals is the mixing and transport associated with a marginally gravitationally unstable (MGU) disk, a likely cause of FU Orionis events in young low-mass stars. Several new sets of MGU models are presented that explore mixing and transport in disks with varied masses (0.016 to 0.13 M{sub Sun }) around stars with varied masses (0.1 to 1 M{sub Sun }) and varied initial Q stability minima (1.8 to 3.1). The results show that MGU disks are able to rapidly (within {approx}10{sup 4} yr) achieve large-scale transport and homogenization of initially spatially heterogeneous distributions of disk grains or gas. In addition, the models show that while single-shot injection heterogeneity is reduced to a relatively low level ({approx}1%), as required for early solar system chronometry, continuous injection of the sort associated with the generation of stable oxygen isotope fractionations by UV photolysis leads to a sustained, relatively high level ({approx}10%) of heterogeneity, in agreement with the oxygen isotope data. These models support the suggestion that the protosun may have experienced at least one FU Orionis-like outburst, which produced several of the signatures left behind in primitive chondrites and comets.

  18. Modified Korteweg-de Vries soliton reflection in a magnetized plasma with dust grains and trapped electrons

    SciTech Connect (OSTI)

    Kumar, Ravinder; Malik, Hitendra K.

    2013-03-15

    This article aims at studying the reflection of solitons in an inhomogeneous magnetized warm plasma having dust grains with positive or negative charge and trapped electrons (low temperature nonisothermal electrons). In order to study the soliton reflection, a coupled modified Korteweg-de Vries equation is derived and solved along with the use of incident soliton solution. The expressions for the reflected soliton amplitude, width, and reflection coefficient are obtained, and examined under different parameter regimes. The combined effect of the dust grain density with their charge polarity and trapping of the electrons is largely studied on the soliton reflection characteristics under the influence of magnetic field.

  19. Grain-boundary strengthening in nanocrystalline chromium and the Hall- Petch coefficient of body-centered cubic metals

    SciTech Connect (OSTI)

    Wu, Dong; Junyan, Zhang; Huang, J C; Bei, Hongbin; Nieh, Tai-Gang

    2013-01-01

    Nanocrystalline Cr (nc-Cr) was synthesized by electrodeposition. Samples with various grain sizes (19 57 nm) were prepared by annealing the as-deposited sample. Microstructures were examined using X-ray and electron microscopy, and the mechanical prop- erties were evaluated using nanoindentation. The strength of nc-Cr samples apparently obeyed the classical Hall Petch relationship. It was found that hardening potency caused by grain refinement was generally higher in body-centered cubic metals than that in face-centered cubic and hexagonal close-packed metals. A possible explanation was offered.

  20. Two-stage sintering inhibits abnormal grain growth during beta to alpha transformation in SiC

    SciTech Connect (OSTI)

    Kueck, Aaron M.; De Jonghe, Lutgard C.

    2007-09-17

    Free sintering of SiC with Al, B, and C additions in two successive stages, first under nitrogen and then under argon, produced a near full-density ceramic with equiaxed grain structure. The beta to alpha transformation proceeded to completion; however, the grain shape remained equiaxed due to the action of nitrogen present during the first stage of sintering. It is found that the beta to alpha transformation is necessary but not sufficient for producing the microstructure of interlocking plates found in high-toughness SiC.

  1. Evidence of preferential diffusion of impurities along grain boundaries in very pure niobium used for radio frequency cavities

    SciTech Connect (OSTI)

    Antoine, C.; Bonin, B.; Safa, H.

    1997-02-01

    In order to overcome dissipation due to impurity segregation at grain boundaries, niobium cavities are submitted to a purification annealing (1300{degree}C{plus_minus}200{degree}C under vacuum) during which titanium is evaporated onto the Nb surface. The resulting titanium layer acts as a solid state getter reacting with light impurities (H, C, N, O), thereby removing these impurities from the bulk of the niobium. Preferential titanium diffusion along grain boundaries have been studied using proton-induced x-ray emission. {copyright} {ital 1997 American Institute of Physics.}

  2. Webinar: Understanding and Applying TM-30-15

    Broader source: Energy.gov [DOE]

    The IES recently approved TM-30-15, a new method for evaluating light source color rendition. This webinar, “Understanding and Applying TM-30-15, the IES Method for Evaluating Light Source Color...

  3. Mission Driven and Applied Science | The Ames Laboratory

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

    Integrating for Materials Technology, Engineering, Education, and Research (i-MatTER) i-MatTER matches our centers with applied activities in WDTS, EERE, FE, ARPA-E, technology ...

  4. How to Apply for Weatherization Assistance | Department of Energy

    Energy Savers [EERE]

    The funds announced earlier this month allow for people who make up to 200% of the federal poverty level to apply for weatherization-which is about 44,000 for a family of four in ...

  5. ENERGY STAR Webinar: How to Apply for the ENERGY STAR

    Broader source: Energy.gov [DOE]

    The U.S. Environmental Protection Agency (EPA) is hosting a webinar on how to apply for ENERGY STAR certification in Portfolio Manager. Understand the value of the ENERGY STAR certification, see...

  6. Apply: Increase Residential Energy Code Compliance Rates (DE...

    Office of Environmental Management (EM)

    Increase Residential Energy Code Compliance Rates (DE-FOA-0000953) Apply: Increase Residential Energy Code Compliance Rates (DE-FOA-0000953) April 21, 2014 - 12:32pm Addthis This ...

  7. Sandian Named Fellow of the Society for Industrial and Applied...

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

    ... Kolda and the other members of the 2015 class of SIAM fellows will be honored in August at the International Congress on Industrial and Applied Mathematics in Beijing. Read the ...

  8. Deep Vadose Zone Applied Field Research Initiative (DVZ-AFRI)

    Broader source: Energy.gov [DOE]

    Located on the Hanford Site in Richland, Washington, the Deep Vadose Zone Applied Field Research Initiative (DVZ AFRI) was established to protect water resources by addressing the challenge of...

  9. Directly correlated transmission electron microscopy and atom probe tomography of grain boundary oxidation in a Ni-Al binary alloy exposed to high-temperature water.

    SciTech Connect (OSTI)

    Schreiber, Daniel K.; Olszta, Matthew J.; Bruemmer, Stephen M.

    2013-10-30

    Intergranular oxidation of a Ni-4Al alloy exposed to hydrogenated, high-temperature water was characterized using directly correlated transmission electron microscopy and atom probe tomography. These combined analyses revealed that discrete, well-separated oxides (NiAl2O4) precipitated along grain boundaries in the metal. Aluminum was depleted from the grain boundary between oxides and also from one side of the boundary as a result of grain boundary migration. The discrete oxide morphology, disconnected from the continuous surface oxidation, suggests intergranular solid-state internal oxidation of Al. Keywords: oxidation; grain boundaries; nickel alloys; atom probe tomography; transmission electron microscopy (TEM)

  10. Rational Catalyst Design Applied to Development of Advanced Oxidation

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

    Catalysts for Diesel Emission Control | Department of Energy Rational Catalyst Design Applied to Development of Advanced Oxidation Catalysts for Diesel Emission Control Rational Catalyst Design Applied to Development of Advanced Oxidation Catalysts for Diesel Emission Control Presentation given at the 2007 Diesel Engine-Efficiency & Emissions Research Conference (DEER 2007). 13-16 August, 2007, Detroit, Michigan. Sponsored by the U.S. Department of Energy's (DOE) Office of FreedomCAR and

  11. Applying for EERE Funding Opportunities | Department of Energy

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

    You are here Home » Applying for EERE Funding Opportunities Applying for EERE Funding Opportunities EERE uses Funding Opportunity Announcements (FOAs) to solicit applications in specific program areas and selects projects based on a merit review process that includes industry and technology experts. What to Expect During the Application Process Illustration showing the funding and approval process. The application process may include multiple phases: letter of intent, concept paper, full

  12. Behavioral Economics Applied to Energy Demand Analysis: A Foundation

    U.S. Energy Information Administration (EIA) Indexed Site

    Behavioral Economics Applied to Energy Demand Analysis: A Foundation October 2014 Independent Statistics & Analysis www.eia.gov U.S. Department of Energy Washington, DC 20585 U.S. Energy Information Administration | Behavioral Economics Applied to Energy Demand Analysis i This report was prepared by the U.S. Energy Information Administration (EIA), the statistical and analytical agency within the U.S. Department of Energy. By law, EIA's data, analyses, and forecasts are independent of

  13. Bridging the Gap between Fundamental Physics and Chemistry and Applied

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

    Models for HCCI Engines | Department of Energy Bridging the Gap between Fundamental Physics and Chemistry and Applied Models for HCCI Engines Bridging the Gap between Fundamental Physics and Chemistry and Applied Models for HCCI Engines 2005 Diesel Engine Emissions Reduction (DEER) Conference Presentations and Posters 2005_deer_assanis.pdf (1.42 MB) More Documents & Publications Computationally Efficient Modeling of High-Efficiency Clean Combustion Engines Modeling of HCCI and PCCI

  14. Optical Diagnostics and Modeling Tools Applied to Diesel HCCI | Department

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

    of Energy Optical Diagnostics and Modeling Tools Applied to Diesel HCCI Optical Diagnostics and Modeling Tools Applied to Diesel HCCI 2002 DEER Conference Presentation: Caterpillar Engine Research 2002_deer_choi.pdf (954.08 KB) More Documents & Publications Computational Fluid Dynamics Modeling of Diesel Engine Combustion and Emissions Development of Enabling Technologies for High Efficiency, Low Emissions Homogeneous Charge Compression Ignition (HCCI) Engines 3-D Combustion Simulation

  15. 2008 Annual Merit Review Results Summary - 2. Applied Battery Research |

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

    Department of Energy 2. Applied Battery Research 2008 Annual Merit Review Results Summary - 2. Applied Battery Research DOE Vehicle Technologies Annual Merit Review 2008_merit_review_2.pdf (1.85 MB) More Documents & Publications 2008 Annual Merit Review Results Summary - 3. Battery Development, Testing, Simulation, Analysis 2008 Annual Merit Review Results Summary - 4. Exploratory Battery Research 2011 Annual Merit Review Results Report - Energy Storage Technologies

  16. Statistical and Domain Analytics Applied to PV Module Lifetime and

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

    Degradation Science | Department of Energy Statistical and Domain Analytics Applied to PV Module Lifetime and Degradation Science Statistical and Domain Analytics Applied to PV Module Lifetime and Degradation Science Presented at the PV Module Reliability Workshop, February 26 - 27 2013, Golden, Colorado pvmrw13_ps2_casewestern_bruckman.pdf (6.77 MB) More Documents & Publications Literature Review of the Effects of UV Exposure on PV Modules Failure Rates from Certification Testing to UL

  17. Applying Risk Communication to the Transportation of Radioactive Materials

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

    | Department of Energy Applying Risk Communication to the Transportation of Radioactive Materials Applying Risk Communication to the Transportation of Radioactive Materials Participants should expect to gain the following skills: How to recognize how the stakeholders prefer to receive information How to integrate risk communication principles into individual communication How to recognize the importance of earning trust and credibility How to identify stakeholders How to answer questions

  18. Applying an Experimental Design Loop to Shape Memory Alloys (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Conference: Applying an Experimental Design Loop to Shape Memory Alloys Citation Details In-Document Search Title: Applying an Experimental Design Loop to Shape Memory Alloys Authors: Hogden, John Edward [1] + Show Author Affiliations Los Alamos National Laboratory Publication Date: 2016-06-01 OSTI Identifier: 1257099 Report Number(s): LA-UR-16-23811 DOE Contract Number: AC52-06NA25396 Resource Type: Conference Resource Relation: Conference: Data Science and Optimal Learning

  19. CONTRACTOR LEGAL MANAGEMENT REQUIREMENTS: APPLYING THE FINAL RULE TO

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

    EXISTING CONTRACTS | Department of Energy CONTRACTOR LEGAL MANAGEMENT REQUIREMENTS: APPLYING THE FINAL RULE TO EXISTING CONTRACTS CONTRACTOR LEGAL MANAGEMENT REQUIREMENTS: APPLYING THE FINAL RULE TO EXISTING CONTRACTS The Department issued a Final Rule revising the regulations covering contractor legal management requirements at 10 C.F.R. 719 (Federal Register May 3, 2013; http://www.gpo.gov/fdsys/pkg/FR-2013-05-03/pdf/2013-10485.pdf). It requires Contracting Officers to attempt to execute

  20. Conference Proceedings Available - The Smart Grid Experience: Applying

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

    Results, Reaching Beyond | Department of Energy Conference Proceedings Available - The Smart Grid Experience: Applying Results, Reaching Beyond Conference Proceedings Available - The Smart Grid Experience: Applying Results, Reaching Beyond March 23, 2015 - 10:55am Addthis In October 2014, the Electric Power Research Institute (EPRI) and the U.S. Department of Energy's (DOE's) Office of Electricity Delivery and Energy Reliability (OE) held a conference to assess progress, impacts, benefits,

  1. Uranium vacancy mobility at the Σ5 symmetric tilt and Σ5 twist grain boundaries in UO₂

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

    Uberuaga, Blas Pedro; Andersson, David A.

    2015-10-01

    Ionic transport at grain boundaries in oxides dictates a number of important phenomena, from ionic conductivity to sintering to creep. For nuclear fuels, it also influences fission gas bubble nucleation and growth. Here, using a combination of atomistic calculations and object kinetic Monte Carlo (okMC) simulations, we examine the kinetic pathways associated with uranium vacancies at two model grain boundaries in UO2. The barriers for vacancy motion were calculated using the nudged elastic band method at all uranium sites at each grain boundary and were used as the basis of the okMC simulations. For both boundaries considered – a simplemore » tilt and a simple twist boundary – the mobility of uranium vacancies is significantly higher than in the bulk. For the tilt boundary, there is clearly preferred migration along the tilt axis as opposed to in the perpendicular direction while, for the twist boundary, migration is essentially isotropic within the boundary plane. These results show that cation defect mobility in fluorite-structured materials is enhanced at certain types of grain boundaries and is dependent on the boundary structure with the tilt boundary exhibiting higher rates of migration than the twist boundary.« less

  2. The Effect of High Temperature Annealing on the Grain Characteristics of a Thin Chemical Vapor Deposition Silicon Carbide Layer.

    SciTech Connect (OSTI)

    Isabella J van Rooyen; Philippus M van Rooyen; Mary Lou Dunzik-Gougar

    2013-08-01

    The unique combination of thermo-mechanical and physiochemical properties of silicon carbide (SiC) provides interest and opportunity for its use in nuclear applications. One of the applications of SiC is as a very thin layer in the TRi-ISOtropic (TRISO) coated fuel particles for high temperature gas reactors (HTGRs). This SiC layer, produced by chemical vapor deposition (CVD), is designed to withstand the pressures of fission and transmutation product gases in a high temperature, radiation environment. Various researchers have demonstrated that macroscopic properties can be affected by changes in the distribution of grain boundary plane orientations and misorientations [1 - 3]. Additionally, various researchers have attributed the release behavior of Ag through the SiC layer as a grain boundary diffusion phenomenon [4 - 6]; further highlighting the importance of understanding the actual grain characteristics of the SiC layer. Both historic HTGR fission product release studies and recent experiments at Idaho National Laboratory (INL) [7] have shown that the release of Ag-110m is strongly temperature dependent. Although the maximum normal operating fuel temperature of a HTGR design is in the range of 1000-1250C, the temperature may reach 1600C under postulated accident conditions. The aim of this specific study is therefore to determine the magnitude of temperature dependence on SiC grain characteristics, expanding upon initial studies by Van Rooyen et al, [8; 9].

  3. Misoriented grain boundaries vicinal to the (111) <11¯0> twin in nickel part II: Thermodynamics of hydrogen segregation

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

    O’Brien, Christopher J.; Foiles, Stephen M.

    2016-04-19

    Grain boundary engineered materials are of immense interest for their resistance to hydrogen embrittlement. This work builds on the work undertaken in Part I on the thermodynamic stability and structure of misoriented grain boundaries vicinal to the Σ3 (111) <11¯0> (coherent-twin) boundary to examine hydrogen segregation to those boundaries. The segregation of hydrogen reflects the asymmetry of the boundary structure with the sense of rotation of the grains about the coherent-twin boundary, and the temperature-dependent structural transition present in one sense of misorientation. This work also finds that the presence of hydrogen affects a change in structure of the boundariesmore » with increasing concentration. The structural change effects only one sense of misorientation and results in the reduction in length of the emitted stacking faults. Moreover, the structural change results in the generation of occupied sites populated by more strongly bound hydrogen. The improved understanding of misoriented twin grain boundary structure and the effect on hydrogen segregation resulting from this work is relevant to higher length-scale models. To that end, we examine commonly used metrics such as free volume and atomic stress at the boundary. In conclusion, free volume is found not to be useful as a surrogate for predicting the degree of hydrogen segregation, whereas the volumetric virial stress reliably predicts the locations of hydrogen segregation and exclusion at concentrations below saturation or the point where structural changes are induced by increasing hydrogen concentration.« less

  4. Grain Boundary Character Along Intergranular Stress Corrosion Crack Paths in Austenitic Stainless Alloys Removed from High-Temperature Water Service

    SciTech Connect (OSTI)

    Gertsman, Valerii Y.; Bruemmer, Stephen M.

    2002-01-01

    Stress-corrosion cracks produced in high-temperature water environments were examined in alloy 600 and stainless steel samples. The alloy 600 samples were removed from pressurized-water reactor (PWR) steam generator tubing after exhibiting cracking in service or after model-boiler stress corrosion cracking tests. The 304 and 316 stainless steel samples also experienced intergranular stress corrosion cracking (IGSCC) in high-temperature-water environments similar to a PWR steam generator. Grain boundary misorientations were measured along IG crack paths as well as in the bulk. In general, only twin Sigma 3 boundaries exhibited improved resistance to crack propagation. If the Sigma 3 were factored out, the fractions of grain boundary types of cracked boundaries corresponded to their frequency of occurrence in the bulk alloy. Other boundaries with coincident site lattice misorientations, including Sigma 9 and Sigma 27, were observed to crack. The cracks were often (but not always) arrested at grain boundary junctions containing Sigma 3 boundaries. The results obtained indicate that grain boundary crystallography does not fully determine its susceptibility to IGSCC in typical commercial alloys. Other factors must be taken into account when assessing material?s propensity to IG failure.

  5. NEAMS FPL M2 Milestone Report: Development of a UO? Grain Size Model using Multicale Modeling and Simulation

    SciTech Connect (OSTI)

    Michael R Tonks; Yongfeng Zhang; Xianming Bai

    2014-06-01

    This report summarizes development work funded by the Nuclear Energy Advanced Modeling Simulation program's Fuels Product Line (FPL) to develop a mechanistic model for the average grain size in UO? fuel. The model is developed using a multiscale modeling and simulation approach involving atomistic simulations, as well as mesoscale simulations using INL's MARMOT code.

  6. Comminution process to produce precision wood particles of uniform size and shape with disrupted grain structure from wood chips

    DOE Patents [OSTI]

    Dooley, James H.; Lanning, David N.

    2015-06-23

    A process of comminution of wood chips (C) having a grain direction to produce a mixture of wood particles (P), wherein the wood chips are characterized by an average length dimension (L.sub.C) as measured substantially parallel to the grain, an average width dimension (W.sub.C) as measured normal to L.sub.C and aligned cross grain, and an average height dimension (H.sub.C) as measured normal to W.sub.C and L.sub.C, wherein W.sub.C>L.sub.C, and wherein the comminution process comprises the step of feeding the wood chips in a direction of travel substantially randomly to the grain direction through a counter rotating pair of intermeshing arrays of cutting discs (D) arrayed axially perpendicular to the direction of wood chip travel, wherein the cutting discs have a uniform thickness (T.sub.D), and wherein at least one of L.sub.C, W.sub.C, and H.sub.C is less than T.sub.D.

  7. Comminution process to produce precision wood particles of uniform size and shape with disrupted grain structure from wood chips

    DOE Patents [OSTI]

    Dooley, James H; Lanning, David N

    2013-08-13

    A process of comminution of wood chips (C) having a grain direction to produce a mixture of wood particles (P), wherein the wood chips are characterized by an average length dimension (L.sub.C) as measured substantially parallel to the grain, an average width dimension (W.sub.C) as measured normal to L.sub.C and aligned cross grain, and an average height dimension (H.sub.C) as measured normal to W.sub.C and L.sub.C, and wherein the comminution process comprises the step of feeding the wood chips in a direction of travel substantially randomly to the grain direction through a counter rotating pair of intermeshing arrays of cutting discs (D) arrayed axially perpendicular to the direction of wood chip travel, wherein the cutting discs have a uniform thickness (T.sub.D), and wherein at least one of L.sub.C, W.sub.C, and H.sub.C is greater than T.sub.D.

  8. Defect sink characteristics of specific grain boundary types in 304 stainless steels under high dose neutron environments

    SciTech Connect (OSTI)

    Field, Kevin G.; Yang, Ying; Allen, Todd R.; Busby, Jeremy T.

    2015-05-01

    Radiation induced segregation (RIS) is a well-studied phenomena which occurs in many structurally relevant nuclear materials including austenitic stainless steels. RIS occurs due to solute atoms preferentially coupling to mobile point defect fluxes that migrate and interact with defect sinks. Here, a 304 stainless steel was neutron irradiated up to 47.1 dpa at 320 °C. Investigations into the RIS response at specific grain boundary types were utilized to determine the sink characteristics of different boundary types as a function of irradiation dose. A rate theory model built on the foundation of the modified inverse Kirkendall (MIK) model is proposed and benchmarked to the experimental results. This model, termed the GiMIK model, includes alterations in the boundary conditions based on grain boundary structure and includes expressions for interstitial binding. This investigation, through experiment and modeling, found specific grain boundary structures exhibit unique defect sink characteristics depending on their local structure. Such interactions were found to be consistent across all doses investigated and had larger global implications including precipitation of Ni-Si clusters near different grain boundary types.

  9. Uranium vacancy mobility at the Σ5 symmetric tilt and Σ5 twist grain boundaries in UO₂

    SciTech Connect (OSTI)

    Uberuaga, Blas Pedro; Andersson, David A.

    2015-10-01

    Ionic transport at grain boundaries in oxides dictates a number of important phenomena, from ionic conductivity to sintering to creep. For nuclear fuels, it also influences fission gas bubble nucleation and growth. Here, using a combination of atomistic calculations and object kinetic Monte Carlo (okMC) simulations, we examine the kinetic pathways associated with uranium vacancies at two model grain boundaries in UO2. The barriers for vacancy motion were calculated using the nudged elastic band method at all uranium sites at each grain boundary and were used as the basis of the okMC simulations. For both boundaries considered – a simple tilt and a simple twist boundary – the mobility of uranium vacancies is significantly higher than in the bulk. For the tilt boundary, there is clearly preferred migration along the tilt axis as opposed to in the perpendicular direction while, for the twist boundary, migration is essentially isotropic within the boundary plane. These results show that cation defect mobility in fluorite-structured materials is enhanced at certain types of grain boundaries and is dependent on the boundary structure with the tilt boundary exhibiting higher rates of migration than the twist boundary.

  10. Defect sink characteristics of specific grain boundary types in 304 stainless steels under high dose neutron environments

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

    Field, Kevin G.; Yang, Ying; Busby, Jeremy T.; Allen, Todd R.

    2015-03-09

    Radiation induced segregation (RIS) is a well-studied phenomena which occurs in many structurally relevant nuclear materials including austenitic stainless steels. RIS occurs due to solute atoms preferentially coupling to mobile point defect fluxes that migrate and interact with defect sinks. Here, a 304 stainless steel was neutron irradiated up to 47.1 dpa at 320 °C. Investigations into the RIS response at specific grain boundary types were utilized to determine the sink characteristics of different boundary types as a function of irradiation dose. A rate theory model built on the foundation of the modified inverse Kirkendall (MIK) model is proposed andmore » benchmarked to the experimental results. This model, termed the GiMIK model, includes alterations in the boundary conditions based on grain boundary structure and includes expressions for interstitial binding. This investigation, through experiment and modeling, found specific grain boundary structures exhibit unique defect sink characteristics depending on their local structure. Furthermore, such interactions were found to be consistent across all doses investigated and had larger global implications including precipitation of Ni-Si clusters near different grain boundary types.« less

  11. The effect of grain boundaries and adsorbates on the electrical properties of hydrogenated ultra nano crystalline diamond.

    SciTech Connect (OSTI)

    Gan, L.; Bolker, A.; Saguy, C.; Kalish, R.; Tan, D. L.; Tay, B. K.; Gruen, D.; Bruno, P.; Materials Science Division; Technion Haifa; Nanyang Technological Univ.

    2009-02-26

    The results of a comprehensive study on the temperature dependence of the electrical properties of hydrogenated and air exposed undoped UNCD layers following heating/cooling cycles are presented. The results clearly show that, in contrast to hydrogenated and air exposed single crystal type IIa diamond, which exhibits a clear highly conductive p-type surface layer, the electrical properties of hydrogen and H{sub 2}O exposure of UNCD are determined by the properties of the entire layer. The changes in the electrical conductivity of UNCD as a result of heating are governed by two different processes: (i) Loss of water from the external surface that takes place at about 150 C. This process is reversible, reviving the electrical properties upon exposure to humidity, just like in single crystalline diamond.(ii) Modification of the inter-grain material, which occurs at higher temperatures possibly due to H diffusion and passivation of some dangling bonds in the inter-grain material. This increases the resistivity in an irreversible manner. The conduction mechanism in the inter-grain material is characterized by variable range hopping in band tails thus indirectly proving that the material between the grains is some kind of amorphous carbon.

  12. CX-010375: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Replace Existing Firehouse CX(s) Applied: B1.15 Date: 09/20/2011 Location(s): California Offices(s): Berkeley Site Office

  13. FE Categorical Exclusions | Department of Energy

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

    8, 2011 CX-006459: Categorical Exclusion Determination Analytical Physics - Transmission Electron Microscopy (TEM) CX(s) Applied: B3.6 Date: 08082011 Location(s): Albany, Oregon...

  14. CX-012231: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Mica Peak Radio Station upgrade CX(s) Applied: B1.19 Date: 06/09/2014 Location(s): Washington Offices(s): Bonneville Power Administration

  15. CX-009515: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Tide Creek Property Funding CX(s) Applied: B1.25 Date: 11/08/2012 Location(s): Oregon Offices(s): Bonneville Power Administration

  16. CX-011215: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Nepese Marsh Upgrades CX(s) Applied: B2.5 Date: 10/17/2013 Location(s): Illinois Offices(s): Fermi Site Office

  17. CX-012606: Categorical Exclusion Determination

    Office of Energy Efficiency and Renewable Energy (EERE)

    Preparing of Environmental Samples for Analysis CX(s) Applied: B3.6Date: 41810 Location(s): South CarolinaOffices(s): Savannah River Operations Office

  18. CX-012581: Categorical Exclusion Determination

    Office of Energy Efficiency and Renewable Energy (EERE)

    Demolition of Outfall Sampling Station CX(s) Applied: B1.23Date: 41844 Location(s): South CarolinaOffices(s): Savannah River Operations Office

  19. CX-012572: Categorical Exclusion Determination

    Office of Energy Efficiency and Renewable Energy (EERE)

    H-Area Vehicle Barrier Installation CX(s) Applied: B1.15Date: 41862 Location(s): South CarolinaOffices(s): Savannah River Operations Office

  20. CX-012566: Categorical Exclusion Determination

    Office of Energy Efficiency and Renewable Energy (EERE)

    Z-Area Fire Tank Painting CX(s) Applied: B1.3Date: 41865 Location(s): South CarolinaOffices(s): Savannah River Operations Office

  1. CX-012628: Categorical Exclusion Determination

    Office of Energy Efficiency and Renewable Energy (EERE)

    Deactivation and Decommissioning of 711-L CX(s) Applied: B1.23Date: 41793 Location(s): South CarolinaOffices(s): Savannah River Operations Office

  2. CX-012559: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Seal Access Plugs at 105-C CX(s) Applied: B1.3Date: 41872 Location(s): South CarolinaOffices(s): Savannah River Operations Office

  3. CX-012587: Categorical Exclusion Determination

    Office of Energy Efficiency and Renewable Energy (EERE)

    HB-Line Security Upgrades CX(s) Applied: B1.3Date: 41835 Location(s): South CarolinaOffices(s): Savannah River Operations Office

  4. CX-011194: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Particle Physics Division Outback Garage CX(s) Applied: B1.15 Date: 09/19/2013 Location(s): Illinois Offices(s): Fermi Site Office

  5. CX-010195: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Polymer Synthesis Lab - Modification CX(s) Applied: B3.6 Date: 04/15/2013 Location(s): Pennsylvania Offices(s): National Energy Technology Laboratory

  6. CX-010241: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Hydrogen Pathway Analyses CX(s) Applied: A9 Date: 02/28/2013 Location(s): Virginia Offices(s): Golden Field Office

  7. CX-012310: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Sawmill Creek Stream Bank Erosion CX(s) Applied: B1.3 Date: 06/06/2014 Location(s): Illinois Offices(s): Argonne Site Office

  8. CX-012437: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    High Energy Density Lithium Battery CX(s) Applied: B3.6Date: 41878 Location(s): New YorkOffices(s): National Energy Technology Laboratory

  9. CX-012028: Categorical Exclusion Determination

    Office of Energy Efficiency and Renewable Energy (EERE)

    High Temperature Laboratory CX(s) Applied: B3.6 Date: 04/21/2014 Location(s): Oregon Offices(s): National Energy Technology Laboratory

  10. CX-011538: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Ninemile Creek Lower Property Funding CX(s) Applied: B1.25 Date: 11/26/2013 Location(s): Washington Offices(s): Bonneville Power Administration

  11. CX-011536: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Aeneans Creek Spring Property Funding CX(s) Applied: B1.25 Date: 11/25/2013 Location(s): Washington Offices(s): Bonneville Power Administration

  12. CX-011537: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Wanacut Creek Upper Property Funding CX(s) Applied: B1.25 Date: 11/26/2013 Location(s): Washington Offices(s): Bonneville Power Administration

  13. CX-012793: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    15-Minute Transmission Scheduling CX(s) Applied: B4.4, B4.5Date: 41933 Location(s): WashingtonOffices(s): Bonneville Power Administration

  14. CX-012110: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Cowlitz Falls Fish Facility Access Agreement Extension CX(s) Applied: A2 Date: 04/02/2014 Location(s): Washington Offices(s): Bonneville Power Administration

  15. CX-009707: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Alcoa Power Sales Contract CX(s) Applied: B4.1 Date: 12/04/2012 Location(s): Oregon, Washington Offices(s): Bonneville Power Administration

  16. CX-009513: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Aquatic Invasive Mussels Monitoring CX(s) Applied: B3.1 Date: 10/15/2012 Location(s): CX: none Offices(s): Bonneville Power Administration

  17. CX-013632: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Alcoa Power Sales Contract Amendment CX(s) Applied: B4.11Date: 04/23/2015 Location(s): WashingtonOffices(s): Bonneville Power Administration

  18. CX-008989: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    State Energy Program CX(s) Applied: A9, A11 Date: 08/27/2012 Location(s): Kansas Offices(s): Golden Field Office

  19. CX-008144: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Planned Repair of Flow Lines CX(s) Applied: B5.4 Date: 08/09/2011 Location(s): Wyoming Offices(s): RMOTC

  20. CX-011564: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Excess Facilities Deactivation and Demolition CX(s) Applied: B1.23 Date: 11/05/2013 Location(s): Idaho Offices(s): Idaho Operations Office

  1. CX-012705: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Materials and Fuels Complex (MFC)-703 Fire Alarm Replacement CX(s) Applied: B2.2Date: 41858 Location(s): IdahoOffices(s): Nuclear Energy

  2. CX-012725: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Materials and Fuel Complex (MFC)-782 Fire Sprinkler Installation CX(s) Applied: B2.2Date: 41829 Location(s): IdahoOffices(s): Nuclear Energy

  3. CX-013825: Categorical Exclusion Determination

    Office of Energy Efficiency and Renewable Energy (EERE)

    Lab A19 Cleanroom Construction CX(s) Applied: B1.31Date: 06/29/2015 Location(s): IdahoOffices(s): Nuclear Energy

  4. CX-014183: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Heyburn Substation Door Replacement CX(s) Applied: B4.6Date: 09/03/2015 Location(s): IdahoOffices(s): Bonneville Power Administration

  5. CX-009398: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Domestic Source Recovery CX(s) Applied: B2.6 Date: 11/01/2012 Location(s): New Mexico Offices(s): Los Alamos Site Office

  6. CX-014379: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Ouagga Mussel Study Funding CX(s) Applied: B3.16Date: 10/29/2015 Location(s): NevadaOffices(s): Bonneville Power Administration

  7. CX-012822: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Santiam-Toledo Structure 39/7 Replacement CX(s) Applied: B1.3Date: 41876 Location(s): OregonOffices(s): Bonneville Power Administration

  8. CX-012799: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Malin-Hilltop Wood Pole Replacements CX(s) Applied: B1.3Date: 41915 Location(s): CaliforniaOffices(s): Bonneville Power Administration

  9. CX-012805: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Brasada-Harney #1 Wood Pole Replacements CX(s) Applied: B1.3Date: 41908 Location(s): OregonOffices(s): Bonneville Power Administration

  10. CX-013386: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Chemical Vapor Deposition CX(s) Applied: B3.6Date: 01/07/2015 Location(s): South CarolinaOffices(s): Savannah River Operations Office

  11. CX-008724: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Rexburg Bus Lot Lease Termination CX(s) Applied: B1.24 Date: 07/05/2012 Location(s): Idaho Offices(s): Idaho Operations Office

  12. CX-012283: Categorical Exclusion Determination

    Office of Energy Efficiency and Renewable Energy (EERE)

    USC Autoclave CX(s) Applied: B3.6 Date: 06/14/2014 Location(s): Oregon Offices(s): National Energy Technology Laboratory

  13. CX-007853: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Arizona Rooftop Challenge (ARC) CX(s) Applied: A9, A11 Date: 01/27/2012 Location(s): Arizona Offices(s): Golden Field Office

  14. CX-007864: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Broward County SOLAR Project CX(s) Applied: A9, A11 Date: 01/27/2012 Location(s): Florida Offices(s): Golden Field Office

  15. CX-012640: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Lexington-Longview #1 Access Road Maintenance CX(s) Applied: B1.3Date: 41865 Location(s): WashingtonOffices(s): Bonneville Power Administration

  16. CX-011065: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Midwest Region Alternative Fuels Project CX(s) Applied: A1 Date: 08/29/2013 Location(s): Kansas Offices(s): National Energy Technology Laboratory

  17. CX-011788: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    I-75 Green Corridor Project CX(s) Applied: A1 Date: 02/10/2014 Location(s): Tennessee Offices(s): National Energy Technology Laboratory

  18. CX-007497: Categorical Exclusion Determination

    Office of Energy Efficiency and Renewable Energy (EERE)

    Clean Energy Coalition - Michigan Green Fleets CX(s) Applied: A1 Date: 12/06/2011 Location(s): Michigan Offices(s): National Energy Technology Laboratory

  19. CX-010938: Categorical Exclusion Determination

    Office of Energy Efficiency and Renewable Energy (EERE)

    Midwest Region Alternative Fuels Project CX(s) Applied: A1 Date: 09/17/2013 Location(s): Kansas, Kansas Offices(s): National Energy Technology Laboratory

  20. CX-011271: Categorical Exclusion Determination

    Office of Energy Efficiency and Renewable Energy (EERE)

    Idaho Petroleum Reduction Leadership Project CX(s) Applied: A1 Date: 09/30/2013 Location(s): Idaho Offices(s): National Energy Technology Laboratory