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. 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...

  13. 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...

  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. 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.

  19. 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.

  20. 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

  1. 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

  2. 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

  3. 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

  4. 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

  5. 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

  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. 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 ...

  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. 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...

  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 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 ...

  10. 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 ...

  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. 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.

  16. 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.

  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. 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.

  3. 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 ...

  4. 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.

  5. 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.

  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. 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 ...

  5. 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 ...

  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, 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.

  9. 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.

  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. 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. ; ...

  12. [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.

  13. 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.

  14. 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 ...

  15. 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.

  16. 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 ...

  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. 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.

  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. 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.

  10. 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.

  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. 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

  13. 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.

  14. 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

  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. 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.

  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 | 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...

  19. 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. ...

  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. 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.

  6. 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...

  7. 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

  8. 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

  9. 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

  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. 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.

  14. 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.

  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. 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.

  17. 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.

  18. 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.

  19. 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.

  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. 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),

  2. 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

  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. 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.

  11. 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

  12. 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

  13. 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.

  14. 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.

  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. 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.

  17. 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

  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 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...

  2. 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...

  3. 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 ...

  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. 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.

  13. 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 ...

  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. 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...

  16. 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...

  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. 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.

  4. 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.

  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. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  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. 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.

  5. 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.

  6. 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

  7. 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

  8. 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.

  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. 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.

  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. 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.

  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. 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.

  18. 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...

  19. 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

  20. 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

  1. 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:

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. 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)

  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. 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

  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. 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.

  16. 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.

  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. 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.

  19. 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. ...

  20. 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. ...

  1. 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.

  2. 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

  3. 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

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. 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...

  10. 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 ...