National Library of Energy BETA

Sample records for materials science computational

  1. Theory VI. Computational Materials Sciences Network (CMSN)

    SciTech Connect (OSTI)

    Zhang, Z Y

    2008-06-25

    The Computational Materials Sciences Network (CMSN) is a virtual center consisting of scientists interested in working together, across organizational and disciplinary boundaries, to formulate and pursue projects that reflect challenging and relevant computational research in the materials sciences. The projects appropriate for this center involve those problems best pursued through broad cooperative efforts, rather than those key problems best tackled by single investigator groups. CMSN operates similarly to the DOE Center of Excellence for the Synthesis and Processing of Advanced Materials, coordinated by George Samara at Sandia. As in the Synthesis and Processing Center, the intent of the modest funding for CMSN is to foster partnering and collective activities. All CMSN proposals undergo external peer review and are judged foremost on the quality and timeliness of the science and also on criteria relevant to the objective of the center, especially concerning a strategy for partnering. More details about CMSN can be found on the CMSN webpages at: http://cmpweb.ameslab.gov/ccms/CMSN-homepage.html.

  2. Computer Science

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

    Cite Seer Department of Energy provided open access science research citations in chemistry, physics, materials, engineering, and computer science IEEE Xplore Full text...

  3. Computational Science

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

    ... Advanced Materials Laboratory Center for Integrated Nanotechnologies Combustion Research Facility Computational Science Research Institute Joint BioEnergy Institute About EC News ...

  4. Computational Materials Sciences Awards | U.S. DOE Office of Science (SC)

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

    Closed Funding Opportunity Announcements (FOAs) » Computational Materials Sciences Awards Basic Energy Sciences (BES) BES Home About Research Facilities Science Highlights Benefits of BES Funding Opportunities Closed Funding Opportunity Announcements (FOAs) Closed Lab Announcements Award Search / Public Abstracts Additional Requirements and Guidance for Digital Data Management Peer Review Policies EFRCs FOA Applications from Universities and Other Research Institutions Construction Review

  5. Materials Science

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

    Materials Science science-innovationassetsimagesicon-science.jpg Materials Science National security depends on science and technology. The United States relies on Los Alamos ...

  6. Computing and Computational Sciences Directorate - Computer Science...

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

    Computer Science and Mathematics Division The Computer Science and Mathematics Division (CSMD) is ORNL's premier source of basic and applied research in high-performance computing, ...

  7. Computing and Computational Sciences Directorate - Computer Science...

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

    Computer Science and Mathematics Division Citation: For exemplary administrative secretarial support to the Computer Science and Mathematics Division and to the ORNL ...

  8. Computing Sciences

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

    Computing Sciences Our Vision National User Facilities Research Areas In Focus Global Solutions ⇒ Navigate Section Our Vision National User Facilities Research Areas In Focus Global Solutions Computational Research Division The Computational Research Division conducts research and development in mathematical modeling and simulation, algorithm design, data storage, management and analysis, computer system architecture and high-performance software implementation. Scientific Networking

  9. Computational Materials Sciences Awards | U.S. DOE Office of...

    Office of Science (SC) Website

    ... Functional Materials and Ultra-Fast X-Ray Laser Experiments Team: Principal Investigator, ... Validation of materials specific predictions includes ultrafast free electron laser ...

  10. Year 1 Progress Report Computational Materials and Chemical Sciences Network Administration

    SciTech Connect (OSTI)

    Rehr, John J.

    2012-08-02

    This document reports progress on the project Computational Materials and Chemical Sciences Network Administration, which is supported by DOE BES Grant DE-FG02-02ER45990 MOD 08. As stated in the original proposal, the primary goal of this project is to carry out the scientific administrative responsibilities for the Computational Materials and Chemical Sciences Network (CMCSN) of the U.S. Department of Energy, Office of Basic Energy Sciences. These responsibilities include organizing meetings, publishing and maintaining CMCSNs website, publishing a periodic newsletter, writing original material for both the website and the newsletter, maintaining CMCSN documentation, editing scientific documents, as needed, serving as liaison for the entire Network, facilitating information exchange across the network, communicating CMCSNs success stories to the larger community and numerous other tasks outside the purview of the scientists in the CMCSN. Given the dramatic increase in computational power, advances in computational materials science can have an enormous impact in science and technology. For many of the questions that can be addressed by computation there is a choice of theoretical techniques available, yet often there is no accepted understanding of the relative strengths and effectiveness of the competing approaches. The CMCSN fosters progress in this understanding by providing modest additional funding to research groups which engage in collaborative activities to develop, compare, and test novel computational techniques. Thus, the CMCSN provides the glue money which enables different groups to work together, building on their existing programs and expertise while avoiding unnecessary duplication of effort. This includes travel funding, partial postdoc salaries, and funding for periodic scientific meetings. The activities supported by this grant are briefly summarized below.

  11. COMPUTATIONAL SCIENCE CENTER

    SciTech Connect (OSTI)

    DAVENPORT, J.

    2005-11-01

    The Brookhaven Computational Science Center brings together researchers in biology, chemistry, physics, and medicine with applied mathematicians and computer scientists to exploit the remarkable opportunities for scientific discovery which have been enabled by modern computers. These opportunities are especially great in computational biology and nanoscience, but extend throughout science and technology and include, for example, nuclear and high energy physics, astrophysics, materials and chemical science, sustainable energy, environment, and homeland security. To achieve our goals we have established a close alliance with applied mathematicians and computer scientists at Stony Brook and Columbia Universities.

  12. Information Science, Computing, Applied Math

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

    Information Science, Computing, Applied Math science-innovationassetsimagesicon-science.jpg Information Science, Computing, Applied Math National security depends on science ...

  13. Computing and Computational Sciences Directorate - Divisions

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

    CCSD Divisions Computational Sciences and Engineering Computer Sciences and Mathematics Information Technolgoy Services Joint Institute for Computational Sciences National Center ...

  14. Materials Science | NREL

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

    black band, and the central ZnS section exhibits a dense black band. State-of-the-art advances in materials science come from a combination of experiments and computations....

  15. SC e-journals, Materials Science

    Office of Scientific and Technical Information (OSTI)

    Materials Science Acta Materialia Advanced Composite Materials Advanced Energy Materials Advanced Engineering Materials Advanced Functional Materials Advanced Materials Advanced Powder Technology Advances in Materials Science and Engineering - OAJ Annual Review of Materials Research Applied Composite Materials Applied Mathematical Modelling Applied Mathematics & Computation Applied Physics A Applied Physics B Applied Surface Science Archives of Computational Materials Science and Surface

  16. Science Gateway: The Materials Project

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

    of pre-computed properties comprises some 35,000 materials, all accessible through a web-based NERSC Science Gateway: The Materials Project (https:materialsproject.org)....

  17. Sandia National Laboratories: Research: Materials Science

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

    Materials Science Bioscience Computing and Information Science Electromagnetics Engineering Science Geoscience Materials Science About Materials Science Research Image Gallery Video Gallery Facilities Nanodevices and Microsystems Radiation Effects and High Energy Density Science Research Materials Science Creating materials for energy applications and defense needs Aries Applying innovative characterization and diagnostic techniques Hongyou Fan Development of new materials to support national

  18. Computational Earth Science

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

    6 Computational Earth Science We develop and apply a range of high-performance computational methods and software tools to Earth science projects in support of environmental ...

  19. Computer, Computational, and Statistical Sciences

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

    ... Directed Research and Development (LDRD) Defense Advanced Research Projects Agency (DARPA) Defense Threat Reduction Agency (DTRA) Research Applied Computer Science Co-design ...

  20. Materials Science Research | Materials Science | NREL

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

    Science Research For photovoltaics and other energy applications, NREL's primary research in materials science includes the following core competencies. A photo of laser light rays...

  1. Computational Science and Engineering

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

    Computational Science and Engineering NETL's Computational Science and Engineering competency consists of conducting applied scientific research and developing physics-based simulation models, methods, and tools to support the development and deployment of novel process and equipment designs. Research includes advanced computations to generate information beyond the reach of experiments alone by integrating experimental and computational sciences across different length and time scales. Specific

  2. Materials Science and Technology

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

    MST Materials Science and Technology Providing world-leading, innovative, and agile materials science and technology solutions for national security missions. MST is metallurgy. The Materials Science and Technology Division provides scientific and technical leadership in materials science and technology for Los Alamos National Laboratory. READ MORE MST is engineered materials. The Materials Science and Technology Division provides scientific and technical leadership in materials science and

  3. Computing and Computational Sciences Directorate - Contacts

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

    Home About Us Contacts Jeff Nichols Associate Laboratory Director Computing and Computational Sciences Becky Verastegui Directorate Operations Manager Computing and...

  4. Sandia National Laboratories: Research: Materials Science: Image Gallery

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

    Materials Science Bioscience Computing and Information Science Electromagnetics Engineering Science Geoscience Materials Science About Materials Science Research Image Gallery Video Gallery Facilities Nanodevices and Microsystems Radiation Effects and High Energy Density Science Research Image Gallery

  5. Sandia National Laboratories: Research: Materials Science: Video Gallery

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

    Materials Science Bioscience Computing and Information Science Electromagnetics Engineering Science Geoscience Materials Science About Materials Science Research Image Gallery Video Gallery Facilities Nanodevices and Microsystems Radiation Effects and High Energy Density Science Research Video Gallery

  6. Sandia National Laboratories: Research: Materials Science: About Us

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

    Materials Science Bioscience Computing and Information Science Electromagnetics Engineering Science Geoscience Materials Science About Materials Science Research Image Gallery Video Gallery Facilities Nanodevices and Microsystems Radiation Effects and High Energy Density Science Research About Materials Science Xunhu Dai Sandia excels in innovative fundamental materials science research - developing and integrating the theoretical insights, computational simulation tools and deliberate

  7. Sandia National Laboratories: Research: Materials Science

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

    Research Bioscience Computing and Information Science Electromagnetics Engineering Science Geoscience Materials Science About Materials Science Research Image Gallery Video Gallery Facilities Nanodevices and Microsystems Radiation Effects and High Energy Density Science Research Research Materials Processing Sandia research staff understand, characterize, model, and ultimately control materials fabrication technologies that are critical to component development and production. Plasma Spray

  8. Sandia National Laboratories: Research: Materials Science: Facilities

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

    Facilities Bioscience Computing and Information Science Electromagnetics Engineering Science Geoscience Materials Science About Materials Science Research Image Gallery Video Gallery Facilities Nanodevices and Microsystems Radiation Effects and High Energy Density Science Research Facilities Center for Integrated Nanotechnologies (CINT) CINT Ion Beam Laboratory Ion Beam Laboratory MESA High Performance Computing Processing and Environmental Technology Laboratory Processing and Environmental

  9. Computing and Computational Sciences Directorate - Joint Institute...

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

    (JICS). JICS combines the experience and expertise in theoretical and computational science and engineering, computer science, and mathematics in these two institutions and ...

  10. NREL: Energy Sciences - Chemical and Materials Science

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

    in the U.S. Department of Energy (DOE) National Photovoltaic Program and DOE Basic Energy Sciences Program. Materials Science. The Materials Science Group's research...

  11. COMPUTATIONAL SCIENCE CENTER

    SciTech Connect (OSTI)

    DAVENPORT, J.

    2006-11-01

    Computational Science is an integral component of Brookhaven's multi science mission, and is a reflection of the increased role of computation across all of science. Brookhaven currently has major efforts in data storage and analysis for the Relativistic Heavy Ion Collider (RHIC) and the ATLAS detector at CERN, and in quantum chromodynamics. The Laboratory is host for the QCDOC machines (quantum chromodynamics on a chip), 10 teraflop/s computers which boast 12,288 processors each. There are two here, one for the Riken/BNL Research Center and the other supported by DOE for the US Lattice Gauge Community and other scientific users. A 100 teraflop/s supercomputer will be installed at Brookhaven in the coming year, managed jointly by Brookhaven and Stony Brook, and funded by a grant from New York State. This machine will be used for computational science across Brookhaven's entire research program, and also by researchers at Stony Brook and across New York State. With Stony Brook, Brookhaven has formed the New York Center for Computational Science (NYCCS) as a focal point for interdisciplinary computational science, which is closely linked to Brookhaven's Computational Science Center (CSC). The CSC has established a strong program in computational science, with an emphasis on nanoscale electronic structure and molecular dynamics, accelerator design, computational fluid dynamics, medical imaging, parallel computing and numerical algorithms. We have been an active participant in DOES SciDAC program (Scientific Discovery through Advanced Computing). We are also planning a major expansion in computational biology in keeping with Laboratory initiatives. Additional laboratory initiatives with a dependence on a high level of computation include the development of hydrodynamics models for the interpretation of RHIC data, computational models for the atmospheric transport of aerosols, and models for combustion and for energy utilization. The CSC was formed to bring together researchers in these areas and to provide a focal point for the development of computational expertise at the Laboratory. These efforts will connect to and support the Department of Energy's long range plans to provide Leadership class computing to researchers throughout the Nation. Recruitment for six new positions at Stony Brook to strengthen its computational science programs is underway. We expect some of these to be held jointly with BNL.

  12. Materials Discovery | Materials Science | NREL

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

    Discovery Images of red and yellow particles NREL's research in materials discovery serves as a foundation for technological progress in renewable energies. Our experimental activities in inorganic solid-state materials innovation span a broad range of technological readiness levels-from basic science through applied research to device development-relying on a high-throughput combinatorial materials science approach, followed by traditional targeted experiments. In addition, our researchers work

  13. Sandia National Laboratories: Careers: Materials Science

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

    Materials Science Materials science worker Sandia materials scientists are creating scientifically tailored materials for U.S. energy applications and critical defense needs. Sandia's focus on scientifically tailored materials capitalizes on our expertise in solid-state sciences, advanced atomic-level diagnostics, and materials synthesis and processing science. Our research uses Sandia's experimental, theoretical, and computational capabilities to establish the state of the art in materials

  14. Information Science, Computing, Applied Math

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

    Information Science, Computing, Applied Math /science-innovation/_assets/images/icon-science.jpg 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

  15. Nuclear Materials Science

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

    16 Nuclear Materials Science Our multidisciplinary expertise comprises the core actinide materials science and metallurgical capability within the nuclear weapons production and surveillance communities. Contact Us Group Leader David Pugmire (acting) Email Group Office (505) 667-4665 The evaluations performed by our group are essential for the nuclear weapons program as well as nuclear materials storage, forensics, and actinide fundamental science. The evaluations performed by our group are

  16. 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

  17. PNNL: Staff Search - Fundamental & Computational Sciences Directorate

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

    Divisions Advanced Computing, Mathematics & Data Atmospheric Sciences & Global Change Biological Sciences Physical Sciences User Facilities Environmental Molecular Sciences ...

  18. NREL: Computational Science Home Page

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

    high-performance computing, computational science, applied mathematics, scientific data management, visualization, and informatics. NREL is home to the largest high performance...

  19. Science at ALCF | Argonne Leadership Computing Facility

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

    Three-dimensional view of shock reflection in a square tube First-Principles Simulations of High-Speed Combustion and Detonation Alexei Khokhlov Allocation Program: INCITE Allocation Hours: 140 Million Science at ALCF Allocation Program - Any - INCITE ALCC ESP Director's Discretionary Year Year -Year 2008 2009 2010 2011 2012 2013 2014 2015 2016 Research Domain - Any - Physics Mathematics Computer Science Chemistry Earth Science Energy Technologies Materials Science Engineering Biological

  20. Process Simulation Role in the Development of New Alloys Based on Integrated Computational Material Science and Engineering

    SciTech Connect (OSTI)

    Sabau, Adrian S [ORNL; Porter, Wallace D [ORNL; Roy, Shibayan [ORNL; Shyam, Amit [ORNL

    2014-01-01

    To accelerate the introduction of new materials and components, the development of metal casting processes requires the teaming between different disciplines, as multi-physical phenomena have to be considered simultaneously for the process design and optimization of mechanical properties. The required models for physical phenomena as well as their validation status for metal casting are reviewed. The data on materials properties, model validation, and relevant microstructure for materials properties are highlighted. One vehicle to accelerate the development of new materials is through combined experimental-computational efforts. Integrated computational/experimental practices are reviewed; strengths and weaknesses are identified with respect to metal casting processes. Specifically, the examples are given for the knowledge base established at Oak Ridge National Laboratory and computer models for predicting casting defects and microstructure distribution in aluminum alloy components.

  1. Material Science and Nuclear Science

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

    Material Disposition Material returning to the United States will fall under the purview of the Office of Material Disposition which is also responsible for the disposition of domestic plutonium and HEU. It also works with international partners on plutonium management and fulfillment of nonproliferation commitments made under the U.S.-Russia Plutonium Management and Disposition Agreement (PMDA). The Office of Material Disposition also manages the resulting LEU supply from its HEU disposition

  2. Molecular Science Computing | EMSL

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

    computational and state-of-the-art experimental tools, providing a cross-disciplinary environment to further research. Additional Information Computing user policies Partners...

  3. Sandia National Laboratories: Careers: Computer Science

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

    Advanced software research & development Collaborative technologies Computational science and mathematics High-performance computing Visualization and scientific computing Advanced ...

  4. Materials Physics | Materials Science | NREL

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

    Physics A photo of laser light rays going in various directions atop a corrugated metal substrate In materials physics, NREL focuses on realizing materials that transcend the present constraints of photovoltaic (PV) and solid-state lighting technologies. Through materials growth and characterization, coupled with theoretical modeling, we seek to understand and control fundamental electronic and optical processes in semiconductors. Capabilities Optimizing New Materials An illustration showing

  5. Fermilab | Science at Fermilab | Computing

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

    Computing Computing is indispensable to science at Fermilab. High-energy physics experiments generate an astounding amount of data that physicists need to store, analyze and communicate with others. Cutting-edge technology allows scientists to work quickly and efficiently to advance our understanding of the world . Fermilab's Computing Division is recognized for its expertise in handling huge amounts of data, its success in high-speed parallel computing and its willingness to take its craft in

  6. Computational Earth Science

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

    Nucleosynthesis (Technical Report) | SciTech Connect Computational Astrophysics Consortium 3 - Supernovae, Gamma-Ray Bursts and Nucleosynthesis Citation Details In-Document Search Title: Computational Astrophysics Consortium 3 - Supernovae, Gamma-Ray Bursts and Nucleosynthesis Final project report for UCSC's participation in the Computational Astrophysics Consortium - Supernovae, Gamma-Ray Bursts and Nucleosynthesis. As an appendix, the report of the entire Consortium is also appended.

  7. Applied Computer Science

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

    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 ...

  8. Computational Materials Science | Materials Science | NREL

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

    Understanding the doping limit rules Overcoming doping limits in wide-gap oxides and nitrides Transition-metal doping in semiconductors and spintronics Defect properties in ...

  9. Computational Sciences and Engineering Division

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

    The Computational Sciences and Engineering Division is a major research division at the Department of Energy's Oak Ridge National Laboratory. CSED develops and applies creative information technology and modeling and simulation research solutions for National Security and National Energy Infrastructure needs. The mission of the Computational Sciences and Engineering Division is to enhance the country's capabilities in achieving important objectives in the areas of national defense, homeland

  10. Molecular Science Computing: 2010 Greenbook

    SciTech Connect (OSTI)

    De Jong, Wibe A.; Cowley, David E.; Dunning, Thom H.; Vorpagel, Erich R.

    2010-04-02

    This 2010 Greenbook outlines the science drivers for performing integrated computational environmental molecular research at EMSL and defines the next-generation HPC capabilities that must be developed at the MSC to address this critical research. The EMSL MSC Science Panel used EMSL’s vision and science focus and white papers from current and potential future EMSL scientific user communities to define the scientific direction and resulting HPC resource requirements presented in this 2010 Greenbook.

  11. Chemistry and Material Sciences Applications

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

    Chemistry and Material Sciences Applications Chemistry and Material Sciences Applications June 26, 2012 Jack Zhengji NERSC Training Event 09:00 - 12:00 PST June 26, 2012 Concurrently presented on the web and at NERSC's Oakland Scientific Facility Attendance: 45 Chemistry and Material Sciences Applications Zhengji Zhao, NERSC User Services Group Jack Deslippe, NERSC User Services Group The first hour of the training is targeted at beginners. We will show you how to get started running material

  12. Mathematics and Computer Science Division | Argonne National...

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

    Mathematics and Computer Science Division To help solve some of the nation's most critical scientific problems, the Mathematics and Computer Science (MCS) Division at Argonne ...

  13. Applications for Postdoctoral Fellowship in Computational Science...

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

    Postdoctoral Fellowship in Computational Science at Berkeley Lab Applications for Postdoctoral Fellowship in Computational Science at Berkeley Lab due November 26 October 15, 2012 ...

  14. Materials Science Application Training 2015

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

    Materials Science Application Training 2015 Materials Science Application Training 2015 NERSC will present an one-hour online training class focused on Materials Science applications, VASP and Quantum Espresso on June 5, 2015, Friday, from 10:00-11:00 PDT. This training class will be provided by NERSC consultants, Jack Deslippe and Zhengji Zhao. The targeted audience will be new to intermediate NERSC users who use the pre-installed VASP and QE at NERSC. The class will address the frequently

  15. Berkeley Lab - Materials Sciences Division

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

    How to Train Your Bacterium Peidong Yang, a chemist with Berkeley Lab's Materials Sciences Division, and his researchers are using the bacterium Moorella thermoacetica to perform...

  16. ENVIRONMENTAL SCIENCES; ENVIRONMENTAL MATERIALS; CONTAMINATION...

    Office of Scientific and Technical Information (OSTI)

    audit of SRP radioactive waste Ashley, C. 05 NUCLEAR FUELS; 54 ENVIRONMENTAL SCIENCES; ENVIRONMENTAL MATERIALS; CONTAMINATION; RADIOACTIVE EFFLUENTS; EMISSION; HIGH-LEVEL...

  17. Materials Science Applications

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

    Science Applications VASP VASP is a plane wave ab initio code for quantum mechanical molecular dynamics. It is highly scalable and shows very good parallel performance for a...

  18. Sandia Energy Materials Science

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

    Sandia Wins Funding for Two DOE-EERE Computer-Aided Battery-Safety R&D Projects http:energy.sandia.govsandia-wins-funding-for-two-doe-eere-computer-aided-battery-safety-rd-proje...

  19. Center for Nanophase Materials Sciences (CNMS) - CNMS User Research

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

    of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 4-Department of Physics and Department of Electrical Engineering and Computer...

  20. Materials Science | Department of Energy

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

    Materials Science Materials Science The unique internal construction of the gas-filled panels developed at the Lawrence Berkeley National Laboratory in California are as effective barriers to heat as its pink fibrous counterparts with less material in less space. <a href="http://energy.gov/articles/berkeley-labs-gas-filled-insulation-rivals-fiber-buildings-sector">Learn more about this cost-effective, energy-efficient insulation</a>. The unique internal construction of the

  1. Materials Science in Radiation and Dynamics Extremes

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

    8 Materials Science in Radiation and Dynamics Extremes Our combination of modeling and experimental testing capabilities opens up unparalleled opportunities to do fundamental research leading to physics-based predictive models. Contact Us Group Leader Ellen Cerreta Email Deputy Group Leader Christopher Stanek Email Group Office (505) 665-4735 We predict structure/property relationships of materials, perform computational materials modeling, characterize thermophysical properties, and measure the

  2. Computer Science and Information Technology Student Pipeline

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

    Divisions recruit and hire promising undergraduate and graduate students in the areas of Computer Science, Information Technology, Management Information Systems, Computer...

  3. Materials Sciences and Engineering (MSE) Division Homepage |...

    Office of Science (SC) Website

    MSE Home About Research Areas Reports and Activities Science Highlights Principal ... Materials Chemistry Biomolecular Materials Synthesis and Processing Science Scattering and ...

  4. Chemistry and Material Sciences Codes at NERSC

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

    Chemistry and Material Sciences Codes Chemistry and Material Sciences Codes at NERSC April 6, 2011 Last edited: 2016-04-29 11:35:1

  5. Integrated Computational Materials Engineering (ICME) for Mg...

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

    More Documents & Publications Integrated Computational Materials Engineering (ICME) for Mg: International Pilot Project Integrated Computational Materials Engineering (ICME) for ...

  6. Fermilab | Science at Fermilab | Computing | Grid Computing

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

    Grid Computing Center interior. Grid Computing Center interior. Computing Grid Computing As high-energy physics experiments grow larger in scope, they require more computing power to process and analyze data. Laboratories purchase rooms full of computer nodes for experiments to use. But many experiments need even more capacity during peak periods . And some experiments do not need to use all of their computing power all of the time. In the early 2000s, members of Fermilab's Computing Division

  7. Thin-Film Material Science and Processing | Materials Science | NREL

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

    Thin-Film Material Science and Processing Photo of a stainless steel piece of equipment with multiple hoses and other equipment attached. NREL's expertise focuses on using thin films to create and enable technologically useful applications. For renewable energy, a prime example of this research is thin-film photovoltaics (PV). Thin films are important because they offer the potential for low-cost processing with minimal material usage while fulfilling application requirements. Importantly, this

  8. Computer Science and Information Technology Student Pipeline

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

    Science and Information Technology Student Pipeline Program Description Los Alamos National Laboratory's High Performance Computing and Information Technology Divisions recruit and hire promising undergraduate and graduate students in the areas of Computer Science, Information Technology, Management Information Systems, Computer Security, Software Engineering, Computer Engineering, and Electrical Engineering. Students are provided a mentor and challenging projects to demonstrate their

  9. Computing and Computational Sciences Directorate - About Us

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

    Three ORNL Supercomputers in Top 20 at SC11 Secretary of Energy recognizes ORNL Fukushima, Gulf, nonproliferation efforts Popular Science asks Jaguar: Oak Ridge National Lab ...

  10. Computing and Computational Sciences Directorate - Information...

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

    Three ORNL Supercomputers in Top 20 at SC11 Secretary of Energy recognizes ORNL Fukushima, Gulf, nonproliferation efforts Popular Science asks Jaguar: Oak Ridge National Lab ...

  11. Center for Nanophase Materials Sciences - Newsletter January...

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

    Center for Nanophase Materials Sciences and Panos Datskos of ORNL Measurement Science and Systems Engineering Division The technology, based on nonlinear nanomechanical resonators,...

  12. Margaret Butler Fellowship in Computational Science | Argonne...

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

    The 2016 Margaret Butler Fellowship call for applications has closed. Open to outstanding postdoctoral candidates, this computational science fellowship offers an opportunity to ...

  13. Computing, Environment & Life Sciences Directorate Organization...

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

    Intranet About Us Intranet Argonne National Laboratory Computing, Environment and Life Sciences Organizations Facilities and Institutes News Events About Us Organization...

  14. Materials Sciences Division 1990 annual report

    SciTech Connect (OSTI)

    Not Available

    1990-01-01

    This report is the Materials Sciences Division's annual report. It contains abstracts describing materials research at the National Center for Electron Microscopy, and for research groups in metallurgy, solid-state physics, materials chemistry, electrochemical energy storage, electronic materials, surface science and catalysis, ceramic science, high tc superconductivity, polymers, composites, and high performance metals.

  15. Materials Sciences Division 1990 annual report

    SciTech Connect (OSTI)

    Not Available

    1990-12-31

    This report is the Materials Sciences Division`s annual report. It contains abstracts describing materials research at the National Center for Electron Microscopy, and for research groups in metallurgy, solid-state physics, materials chemistry, electrochemical energy storage, electronic materials, surface science and catalysis, ceramic science, high tc superconductivity, polymers, composites, and high performance metals.

  16. Computing and Computational Sciences Directorate - Information...

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

    cost-effective, state-of-the-art computing capabilities for research and development. ... communicates and manages strategy, policy and finance across the portfolio of IT assets. ...

  17. ASCR Workshop on Quantum Computing for Science

    SciTech Connect (OSTI)

    Aspuru-Guzik, Alan; Van Dam, Wim; Farhi, Edward; Gaitan, Frank; Humble, Travis; Jordan, Stephen; Landahl, Andrew J; Love, Peter; Lucas, Robert; Preskill, John; Muller, Richard P.; Svore, Krysta; Wiebe, Nathan; Williams, Carl

    2015-06-01

    This report details the findings of the DOE ASCR Workshop on Quantum Computing for Science that was organized to assess the viability of quantum computing technologies to meet the computational requirements of the DOE’s science and energy mission, and to identify the potential impact of quantum technologies. The workshop was held on February 17-18, 2015, in Bethesda, MD, to solicit input from members of the quantum computing community. The workshop considered models of quantum computation and programming environments, physical science applications relevant to DOE's science mission as well as quantum simulation, and applied mathematics topics including potential quantum algorithms for linear algebra, graph theory, and machine learning. This report summarizes these perspectives into an outlook on the opportunities for quantum computing to impact problems relevant to the DOE’s mission as well as the additional research required to bring quantum computing to the point where it can have such impact.

  18. Panel 3 - material science (Conference) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Conference: Panel 3 - material science Citation Details In-Document Search Title: Panel 3 - material science In the last decades, NNSA's national security challenge has evolved, and the role of simulation and computation has grown dramatically. The process of certifying nuclear weapons performance has changed from one based on integrated tests to science-based certification in which underground nuclear tests have been replaced by large-scale simulations, appropriately validated with fundamental

  19. Previous Computer Science Award Announcements | U.S. DOE Office...

    Office of Science (SC) Website

    Previous Computer Science Award Announcements Advanced Scientific Computing Research (ASCR) ASCR Home About Research Applied Mathematics Computer Science Exascale Tools Workshop ...

  20. Chameleon: A Computer Science Testbed as Application of Cloud...

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

    Chameleon: A Computer Science Testbed as Application of Cloud Computing Event Sponsor: Mathematics and Computing Science Brownbag Lunch Start Date: Dec 15 2015 - 12:00pm Building...

  1. Materials Science: the science of everything | National Nuclear Security

    National Nuclear Security Administration (NNSA)

    Administration Materials Science: the science of everything Friday, July 24, 2015 - 10:57am Y-12 Senior Metallurgist Steven Dekanich and NASA Materials Science Branch Chief Steve McDanels teamed up to lead a weeklong materials science camp that took at the University of Tennessee in Knoxville. The camp, which has been held since 2004, was jointly sponsored by Consolidated Nuclear Services (CNS), Oak Ridge National Laboratory, the University of Tennessee and the Knoxville chapter of American

  2. Computer Science Program | U.S. DOE Office of Science (SC)

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

    Computer Science Advanced Scientific Computing Research (ASCR) ASCR Home About Research Applied Mathematics Computer Science Exascale Tools Workshop Programming Challenges Workshop ...

  3. Interfacial and Surface Science | Materials Science | NREL

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

    studies of energy-relevant materials, interfaces and device structures. Contact: Craig Perkins | Email | 303-384-6659 Atomic, Molecular, and Nanocrystal Deposition Apparatus Called...

  4. Materials sciences programs, Fiscal year 1997

    SciTech Connect (OSTI)

    1998-10-01

    The Division of Materials Sciences is responsible for basic research and research facilities in materials science topics important to the mission of the Department of Energy. The programmatic divisions under the Office of Basic Energy Sciences are Chemical Sciences, Engineering and Geosciences, and Energy Biosciences. Materials Science is an enabling technology. The performance parameters, economics, environmental acceptability and safety of all energy generation, conversion, transmission and conservation technologies are limited by the properties and behavior of materials. The Materials Sciences programs develop scientific understanding of the synergistic relationship among synthesis, processing, structure, properties, behavior, performance and other characteristics of materials. Emphasis is placed on the development of the capability to discover technologically, economically, and environmentally desirable new materials and processes, and the instruments and national user facilities necessary for achieving such progress. Materials Sciences subfields include: physical metallurgy, ceramics, polymers, solid state and condensed matter physics, materials chemistry, surface science and related disciplines where the emphasis is on the science of materials. This report includes program descriptions for 517 research programs including 255 at 14 DOE National Laboratories, 262 research grants (233 of which are at universities), and 29 Small Business Innovation Research Grants. Five cross-cutting indices located at the rear of this book identify all 517 programs according to principal investigator(s), materials, techniques, phenomena, and environment.

  5. Materials Science in Radiation and Dynamics Extremes

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

    and specialty) materials from atomistic to continuum length scales; Uses computational materials modeling to inform and complement the measurements listed above; Synthesizes and...

  6. Former NERSC Consultant Mentors Math, Computer Science Students

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

    Former NERSC Consultant Mentors Math, Computer Science Students Former NERSC Consultant Mentors Math, Computer Science Students March 10, 2015 Frank Hale, a former consultant in ...

  7. New partnership uses advanced computer science modeling to address...

    National Nuclear Security Administration (NNSA)

    computer science modeling to address climate change | National Nuclear Security ... New partnership uses advanced computer science modeling to address climate change Several ...

  8. Luis W. Alvarez Postdoctoral Fellowship in Computing Sciences

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

    Luis W. Alvarez Postdoctoral Fellowship in Computing Sciences Luis W. Alvarez Postdoctoral Fellowship in Computing Sciences November 1, 2014 by Francesca Verdier Applications are...

  9. ALCF Data Science Program | Argonne Leadership Computing Facility

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

    ALCF Data Science Program The ALCF Data Science Program (ADSP) is targeted at "big data" science problems that require the scale and performance of leadership computing resources. ...

  10. Thermoelectric Materials by Design, Computational Theory and...

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

    by Design, Computational Theory and Structure Thermoelectric Materials by Design, Computational Theory and Structure 2009 DOE Hydrogen Program and Vehicle Technologies Program...

  11. Bayer MaterialScience | Open Energy Information

    Open Energy Info (EERE)

    Leverkusen, Germany Website: www.bayermaterialscience.comi References: Bayer Material Science1 Information About Partnership with NREL Partnership with NREL Yes Partnership Type...

  12. Fusion materials science and technology research opportunities...

    Office of Scientific and Technical Information (OSTI)

    the ITER era Citation Details In-Document Search Title: Fusion materials science and technology research opportunities now and during the ITER era Several high-priority...

  13. Introduction to Chemistry and Material Sciences Applications

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

    Intro Chem and MatSci Apps Introduction to Chemistry and Material Sciences Applications June 26, 2012 Last edited: 2016-04-29 11:34:4

  14. Introduction to Chemistry and Material Sciences Applications

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

    Intro Chem and MatSci Apps Introduction to Chemistry and Material Sciences Applications June 26, 2012 L ast edited: 2015-12-11 16:11:02...

  15. Integrated computational materials engineering: Tools, simulations and new applications

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

    Madison, Jonathan D.

    2016-03-30

    Here, Integrated Computational Materials Engineering (ICME) is a relatively new methodology full of tremendous potential to revolutionize how science, engineering and manufacturing work together. ICME was motivated by the desire to derive greater understanding throughout each portion of the development life cycle of materials, while simultaneously reducing the time between discovery to implementation [1,2].

  16. Science

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

    Science /newsroom/_assets/images/science-icon.png Science Cutting edge, multidisciplinary national-security science. Health Space Computing Energy Earth Materials Science Technology The Lab All Jonathan Ward Engle Physicist wins early-career award for isotope work Jonathan Ward Engle, is among 49 winners, of the US Department of Energy's Early Career Research Program awards for 2016. - 5/12/16 Adaptive design framework. Machine learning accelerates the discovery of new materials Researchers

  17. Materials sciences programs, fiscal year 1994

    SciTech Connect (OSTI)

    1995-04-01

    The Division of Materials Sciences is located within the DOE in the Office of Basic Energy Sciences. The Division of Materials Sciences is responsible for basic research and research facilities in strategic materials science topics of critical importance to the mission of the Department and its Strategic Plan. Materials Science is an enabling technology. The performance parameters, economics, environmental acceptability and safety of all energy generation, conversion, transmission and conservation technologies are limited by the properties and behavior of materials. The Materials Sciences programs develop scientific understanding of the synergistic relationship amongst the synthesis, processing, structure, properties, behavior, performance and other characteristics of materials. Emphasis is placed on the development of the capability to discover technologically, economically, and environmentally desirable new materials and processes, and the instruments and national user facilities necessary for achieving such progress. Materials Sciences sub-fields include physical metallurgy, ceramics, polymers, solid state and condensed matter physics, materials chemistry, surface science and related disciplines where the emphasis is on the science of materials. This report includes program descriptions for 458 research programs including 216 at 14 DOE National Laboratories, 242 research grants (233 for universities), and 9 Small Business Innovation Research (SBIR) Grants. The report is divided into eight sections. Section A contains all Laboratory projects, Section B has all contract research projects, Section C has projects funded under the SBIR Program, Section D describes the Center of Excellence for the Synthesis and Processing of Advanced Materials and E has information on major user facilities. F contains descriptions of other user facilities; G, a summary of funding levels; and H, indices characterizing research projects.

  18. Materials Science: the science of everything | Y-12 National Security

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

    Complex Materials Science: the ... Materials Science: the science of everything Posted: July 9, 2015 - 4:24pm Participants in the 2015 ASM Materials Camp pose for a photo during a Skype conversation with NASA astronauts Barry "Butch" Wilmore, left, and Jeffrey Williams. On the 50th anniversary of the first American spacewalk June 3, a group of high school students gathered to talk via Skype with two NASA astronauts who themselves have spacewalked a dozen times during their careers.

  19. Materials Science | Concentrating Solar Power | NREL

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

    Materials Science National Renewable Energy Laboratory (NREL) researchers develop and support others in developing materials for use in concentrating solar power (CSP). These materials include higher-reflectivity mirrors, better thermal-absorbing receivers, and more corrosion-resistant materials. Researchers also test the durability of these materials. NREL researchers are working to under-stand the fundamental corrosion mechanisms of materials when exposed to high-temperature fluids. Learn more

  20. Applications for Postdoctoral Fellowship in Computational Science at

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

    Berkeley Lab due November 26 Postdoctoral Fellowship in Computational Science at Berkeley Lab Applications for Postdoctoral Fellowship in Computational Science at Berkeley Lab due November 26 October 15, 2012 by Francesca Verdier Researchers in computer science, applied mathematics or any computational science discipline who have received their Ph.D. within the last three years are encouraged to apply for the Luis W. Alvarez Postdoctoral Fellowship in Computational Science at Lawrence

  1. Center for Nanophase Materials Sciences - Newsletter

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

    can provide insights for the development of new materials for solar cells, solid-state lighting and superconductor power transmission. Computer codes will be made...

  2. Basic Energy Sciences Materials Sciences programs: FWP executive summaries

    SciTech Connect (OSTI)

    Vook, F.L.; Samara, G.A.

    1989-02-01

    The goals of our Basic Energy Sciences (BES) Materials Science Program at Sandia are: (1) Perform basic, forefront interdisciplinary research using the capabilities of several organizations. (2) Choose programs broadly complementary to Sandia's weapons laboratory mission, but separably identifiable. (3) Perform research in a setting which enhances technological impact because of Sandia's spectrum of basic research, applied research and development engineering. (4) Use large, capital-intensive research facilities not usually found at universities. The BES Materials Science program at Sandia Albuquerque has the central theme of Scientifically Tailored Materials. The major objective of this program is to combine Sandia's expertise and capabilities in the areas of solid state sciences, advanced atomic-level diagnostics, and materials-processing science to produce new classes of tailorable materials for the US energy industry, the electronics industry and for defense needs. Current research in this program includes ion-implantation-modified materials, physics and chemistry of ceramics, tailored surfaces for materials applications, strained-layer semiconductors, chemical vapor deposition, surface photo kinetics, organic and high-temperature superconductors, advanced growth techniques for improved semiconductor structures and boron-rich very high temperature semiconductors.

  3. FWP executive summaries: Basic energy sciences materials sciences programs

    SciTech Connect (OSTI)

    Not Available

    1990-02-01

    The BES Materials Science program at Sandia Albuquerque has the central theme of Scientifically Tailored Materials. The major objective of this program is to combine Sandia's expertise and capabilities in the areas of solid state sciences, advanced atomic-level diagnostics and materials-processing science to produce new classes of tailorable materials for the US energy industry, the electronics industry and for defense needs. Current research in this program includes the physics and chemistry of ceramics, the use of energetic particles for the synthesis and study of materials, high-temperature and organic superconductors, tailored surfaces for materials applications, chemical vapor deposition sciences, strained-layer semiconductors, advanced growth techniques for improved semiconductor structures and boron-rich very high temperature semiconductors. A new start just getting underway deals with the atomic level science of interfacial adhesion. Our interdisciplinary program utilizes a broad array of sophisticated, state-of-the-art experimental capabilities provided by other programs. The major capabilities include several molecular-beam epitaxy and chemical-vapor-deposition facilities, electron- and ion-beam accelerators, laser-based diagnostics, advanced surface spectroscopies, unique combined high-pressure/low-temperature/high-magnetic-field facilities, and the soon to be added scanning tunneling and atomic force microscopies.

  4. [Computer Science and Telecommunications Board activities

    SciTech Connect (OSTI)

    Blumenthal, M.S.

    1993-02-23

    The board considers technical and policy issues pertaining to computer science, telecommunications, and associated technologies. Functions include providing a base of expertise for these fields in NRC, monitoring and promoting health of these fields, initiating studies of these fields as critical resources and sources of national economic strength, responding to requests for advice, and fostering interaction among the technologies and the other pure and applied science and technology. This document describes its major accomplishments, current programs, other sponsored activities, cooperative ventures, and plans and prospects.

  5. Work with Us | Materials Science | NREL

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

    Work with Us We are eager to pursue materials science research with partners in industry, universities, and other organizations. Contact Us Photo of Nancy Haegel Nancy Haegel Center Director, Materials Science Center Email | 303-384-6548 For lead researcher contacts, see our research areas. To find research group managers or specific researchers, see our listing of research staff. Interested in Joining Our Team? Find an opportunity: Job | Internship | Post-doc Plan Your Visit Map to NREL Golden,

  6. Integrated Computational Materials Engineering (ICME) for Mg...

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

    and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon lm012li2011o.pdf More Documents & Publications Integrated Computational Materials Engineering ...

  7. Integrated Computational Materials Engineering (ICME) for Mg...

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

    Project (Part 1) Integrated Computational Materials Engineering (ICME) for Mg: International Pilot Project (Part 1) 2010 DOE Vehicle Technologies and Hydrogen Programs Annual Merit...

  8. UNCLASSIFIED Institute for Materials Science Lecture Series

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

    Edwin L. Thomas Dean of Engineering Professor of Materials Science and NanoEngineering Rice University - Houston, Texas Indistinguishable from Magic? (A Perspective on Some Aspects of Materials Research in the Next Decade) Tuesday, March 22, 2016 10am - 11am MSL Auditorium (TA-03 - Bldg 1698 - Room A103) Addressing multifunctional materials: The mighty electron, the cool photon and the lowly phonon...how waves in periodic materials lead to interesting properties. Problem Driven Research:

  9. Previous Computer Science Award Announcements | U.S. DOE Office of Science

    Office of Science (SC) Website

    (SC) Previous Computer Science Award Announcements Advanced Scientific Computing Research (ASCR) ASCR Home About Research Applied Mathematics Computer Science Exascale Tools Workshop Programming Challenges Workshop Architectures I Workshop External link Architectures II Workshop External link Next Generation Networking Scientific Discovery through Advanced Computing (SciDAC) ASCR SBIR-STTR Facilities Science Highlights Benefits of ASCR Funding Opportunities Advanced Scientific Computing

  10. Electronic Structure Theory | Materials Science | NREL

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

    Electronic Structure Theory An image of multiple, interconnecting red and blue particles Using high-performance computing, NREL applies electronic structure theory to design and discover materials for energy applications. This includes detailed studies of the physical mechanisms that determine the material's behavior on an atomistic level. Learn more about high-performance computing. Key Research Areas Materials by Design NREL leads the U.S. Department of Energy's Center for Next Generation of

  11. Materials Frontiers to Empower Quantum Computing

    SciTech Connect (OSTI)

    Taylor, Antoinette Jane; Sarrao, John Louis; Richardson, Christopher

    2015-06-11

    This is an exciting time at the nexus of quantum computing and materials research. The materials frontiers described in this report represent a significant advance in electronic materials and our understanding of the interactions between the local material and a manufactured quantum state. Simultaneously, directed efforts to solve materials issues related to quantum computing provide an opportunity to control and probe the fundamental arrangement of matter that will impact all electronic materials. An opportunity exists to extend our understanding of materials functionality from electronic-grade to quantum-grade by achieving a predictive understanding of noise and decoherence in qubits and their origins in materials defects and environmental coupling. Realizing this vision systematically and predictively will be transformative for quantum computing and will represent a qualitative step forward in materials prediction and control.

  12. Computing Sciences Staff Help East Bay High Schoolers Upgrade...

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

    IT fields, the Laney College Computer Information Systems Department offered its Upgrade: Computer Science Program. Thirty-eight students from 10 East Bay high schools registered...

  13. Energy Frontier Research Center Center for Materials Science...

    Office of Scientific and Technical Information (OSTI)

    Frontier Research Center Center for Materials Science of Nuclear Fuels Citation Details In-Document Search Title: Energy Frontier Research Center Center for Materials Science of ...

  14. Materials Science and Technology Teachers Handbook

    SciTech Connect (OSTI)

    Wieda, Karen J.; Schweiger, Michael J.; Bliss, Mary; Pitman, Stan G.; Eschbach, Eugene A.

    2008-09-04

    The Materials Science and Technology (MST) Handbook was developed by Pacific Northwest National Laboratory, in Richland, Washington, under support from the U.S. Department of Energy. Many individuals have been involved in writing and reviewing materials for this project since it began at Richland High School in 1986, including contributions from educators at the Northwest Regional Education Laboratory, Central Washington University, the University of Washington, teachers from Northwest Schools, and science and education personnel at Pacific Northwest National Laboratory. Support for its development was also provided by the U.S. Department of Education. This introductory course combines the academic disciplines of chemistry, physics, and engineering to create a materials science and technology curriculum. The course covers the fundamentals of ceramics, glass, metals, polymers and composites. Designed to appeal to a broad range of students, the course combines hands-on activities, demonstrations and long term student project descriptions. The basic philosophy of the course is for students to observe, experiment, record, question, seek additional information, and, through creative and insightful thinking, solve problems related to materials science and technology. The MST Teacher Handbook contains a course description, philosophy, student learning objectives, and instructional approach and processes. Science and technology teachers can collaborate to build the course from their own interests, strengths, and experience while incorporating existing school and community resources. The course is intended to meet local educational requirements for technology, vocational and science education.

  15. Is ""predictability"" in computational sciences a myth?

    SciTech Connect (OSTI)

    Hemez, Francois M [Los Alamos National Laboratory

    2011-01-31

    Within the last two decades, Modeling and Simulation (M&S) has become the tool of choice to investigate the behavior of complex phenomena. Successes encountered in 'hard' sciences are prompting interest to apply a similar approach to Computational Social Sciences in support, for example, of national security applications faced by the Intelligence Community (IC). This manuscript attempts to contribute to the debate on the relevance of M&S to IC problems by offering an overview of what it takes to reach 'predictability' in computational sciences. Even though models developed in 'soft' and 'hard' sciences are different, useful analogies can be drawn. The starting point is to view numerical simulations as 'filters' capable to represent information only within specific length, time or energy bandwidths. This simplified view leads to the discussion of resolving versus modeling which motivates the need for sub-scale modeling. The role that modeling assumptions play in 'hiding' our lack-of-knowledge about sub-scale phenomena is explained which leads to discussing uncertainty in simulations. It is argued that the uncertainty caused by resolution and modeling assumptions should be dealt with differently than uncertainty due to randomness or variability. The corollary is that a predictive capability cannot be defined solely as accuracy, or ability of predictions to match the available physical observations. We propose that 'predictability' is the demonstration that predictions from a class of 'equivalent' models are as consistent as possible. Equivalency stems from defining models that share a minimum requirement of accuracy, while being equally robust to the sources of lack-of-knowledge in the problem. Examples in computational physics and engineering are given to illustrate the discussion.

  16. Materials and Chemical Sciences Division annual report, 1987

    SciTech Connect (OSTI)

    Not Available

    1988-07-01

    Research programs from Lawrence Berkeley Laboratory in materials science, chemical science, nuclear science, fossil energy, energy storage, health and environmental sciences, program development funds, and work for others is briefly described. (CBS)

  17. UNCLASSIFIED Institute for Materials Science Sponsored Lecture

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

    Garritt Tucker Drexel University, Philadelphia, Pennsylvania Atomistic Methods to Quantify Nanoscale Strain and Deformation Mechanisms in Nanostructured Materials Thursday, August 27, 2015 3:00 - 4:00pm MSL Auditorium (TA-03, Bldg. 1698, Room A103) Abstract: As the theoretical physicist, Sir Frederick Charles Franck, said, 'Crystals are like people: it is the defects in them that make them interesting.' Fundamental research in Materials Science and Engineering focuses on linking structure and

  18. Computer Model Buildings Contaminated with Radioactive Material

    Energy Science and Technology Software Center (OSTI)

    1998-05-19

    The RESRAD-BUILD computer code is a pathway analysis model designed to evaluate the potential radiological dose incurred by an individual who works or lives in a building contaminated with radioactive material.

  19. Materials Sciences programs, Fiscal year 1993

    SciTech Connect (OSTI)

    1994-02-01

    This report provides a compilation and index of the DOE Materials Sciences Division programs; the compilation is to assist administrators, managers, and scientists to help coordinate research. The report is divided into 7 sections: laboratory projects, contract research projects, small business innovation research, major user facilities, other user facilities, funding level distributions, and indexes.

  20. Analytical Microscopy and Imaging Science | Materials Science | NREL

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

    Analytical Microscopy and Imaging Science An image of interconnecting yellow and red particles NREL uses transmission/scanning electron and scanning probe techniques to measure the chemical, structural, morphological, electrical, interfacial, and luminescent properties on the nano to Angstrom scale. We investigate such properties in a wide range of photovoltaic and semiconducting materials, with particular emphasis on extended defects and interfaces and how these affect device performance. A

  1. Fermilab | Science at Fermilab | Computing | High-performance Computing

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

    Lattice QCD Farm at the Grid Computing Center at Fermilab. Lattice QCD Farm at the Grid Computing Center at Fermilab. Computing High-performance Computing A workstation computer can perform billions of multiplication and addition operations each second. High-performance parallel computing becomes necessary when computations become too large or too long to complete on a single such machine. In parallel computing, computations are divided up so that many computers can work on the same problem at

  2. Center for Nanophase Materials Sciences (CNMS) - CNMS Research

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

    Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831 2-Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 3-Physics Department,...

  3. Early Science Program | Argonne Leadership Computing Facility

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

    Science at ALCF Allocation Programs INCITE Program ALCC Program Director's Discretionary (DD) Program ALCF Data Science Program Early Science Program ALCF Theta Early Science Program: Call for Proposals ALCF Theta Early Science Program: Proposal Instructions INCITE 2016 Projects ALCC 2015 Projects ESP Projects View All Projects Publications ALCF Tech Reports Industry Collaborations Early Science Program As part of the process of bringing a new supercomputer into production, the ALCF hosts the

  4. Delivering science on day one | Argonne Leadership Computing Facility

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

    Delivering science on day one Author: Timothy J. Williams May 4, 2016 Facebook Twitter LinkedIn Google E-mail Printer-friendly version In a recent issue of Computing in Science & Engineering (CiSE), ALCF Deputy Director of Science Timothy Williams discussed Theta Early Science work. Argonne National Laboratory will soon install Theta, its next-generation high-performance computing resource. Bringing up any new supercomputer includes rigorous exploration of the machine's ability to achieve

  5. SECTION IV: ATOMIC, MOLECULAR AND MATERIALS SCIENCE

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

    ATOMIC, MOLECULAR AND MATERIALS SCIENCE A semiempirical scaling law for target K x-ray production in heavy ion collisions............ IV-1 R. L. Watson, Y. Peng, V. Horvat, and A. N. Perumal Systematics of L x-ray satellite spectra .................................................................................. IV-4 V. Horvat, R.L. Watson, Y. Peng and J. M. Blackadar Single and multiple L-shell ionization by fast heavy ions...................................................... IV-7 V. Horvat ,

  6. UNCLASSIFIED Institute for Materials Science Lecture Series

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

    Dr Roger D Doherty M.A. D. Phil., Fellow TMS Emeritus Professor of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania Solute Enhanced Strain Hardening of Aluminum Alloys for Higher Strength / Toughness Combinations Wednesday, May 6, 2015 1:15 - 2:15 PM TA-03, Bldg. 1698, Room A103 (MSL Auditorium) Abstract: When the yield strength of metallic alloys is increased the fracture toughness almost always falls. By use of a plot of bond strength normalized fracture

  7. Enforcement Notice of Intent to Investigate, Computer Sciences Corporation

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

    | Department of Energy Computer Sciences Corporation Enforcement Notice of Intent to Investigate, Computer Sciences Corporation September 2015 The DOE Office of Enforcement issued a Notice of Intent to Investigate to Computer Sciences Corporation for potential worker safety and health noncompliances associated with an electronic medical record system that was being implemented at DOE's Hanford site. On September 21, 2015, the U.S. Department of Energy (DOE) Office of Enterprise Assessments'

  8. Former NERSC Consultant Mentors Math, Computer Science Students

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

    Former NERSC Consultant Mentors Math, Computer Science Students Former NERSC Consultant Mentors Math, Computer Science Students March 10, 2015 Frank Hale, a former consultant in NERSC's User Services Group (USG) who currently tutors math at Diablo Valley College (DVC) in Pleasant Hill, CA, recently brought a group of computer science enthusiasts from the college to NERSC for a tour. Hale, the first person hired into the USG when NERSC relocated from Lawrence Livermore National Laboratory to

  9. Computing

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

    Computing /newsroom/_assets/images/computing-icon.png Computing Providing world-class high performance computing capability that enables unsurpassed solutions to complex problems of strategic national interest. Health Space Computing Energy Earth Materials Science Technology The Lab All Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable

  10. Materials sciences programs fiscal year 1996

    SciTech Connect (OSTI)

    1997-06-01

    The purpose of this report is to provide a convenient compilation and index of the DOE Materials Sciences Division programs. This compilation is primarily intended for use by administrators, managers, and scientists to help coordinate research. The report is divided into eight sections. Section A contains all Laboratory projects, Section B has all contract research projects, Section C has projects funded under the Small Business Innovation Research Program, Section D describes the Center of Excellence for the Synthesis and Processing of Advanced Materials and E has information on major user facilities. F describes other user facilities, G as a summary of funding levels and H has indices characterizing research projects.

  11. Materials sciences programs: Fiscal year 1995

    SciTech Connect (OSTI)

    1996-05-01

    The purpose of this report is to provide a convenient compilation and index of the DOE Materials Science Division programs. This compilation is primarily intended for use by administrators, managers, and scientists to help coordinate research. The report is divided into eight sections. Section A contains all Laboratory projects, Section B has all contract research projects, Section C has projects funded under the Small Business Innovation Research Program, Section D describes the Center of Excellence for the Synthesis and Processing of Advanced Materials and E has information on major user facilities. F describes other user facilities, G as a summary of funding levels and H has indices characterizing research projects.

  12. Computing, Environment and Life Sciences | Argonne National Laboratory

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

    Intranet About Us Intranet Argonne National Laboratory Computing, Environment and Life Sciences Organizations Facilities and Institutes News Events Advancing the Frontiers of...

  13. Molecular forensic science of nuclear materials

    SciTech Connect (OSTI)

    Wilkerson, Marianne Perry

    2010-01-01

    We are interested in applying our understanding of actinide chemical structure and bonding to broaden the suite of analytical tools available for nuclear forensic analyses. Uranium- and plutonium-oxide systems form under a variety of conditions, and these chemical species exhibit some of the most complex behavior of metal oxide systems known. No less intriguing is the ability of AnO{sub 2} (An: U, Pu) to form non-stoichiometric species described as AnO{sub 2+x}. Environmental studies have shown the value of utilizing the chemical signatures of these actinide oxides materials to understand transport following release into the environment. Chemical speciation of actinide-oxide samples may also provide clues as to the age, source, process history, or transport of the material. The scientific challenge is to identify, measure and understand those aspects of speciation of actinide analytes that carry information about material origin and history most relevant to forensics. Here, we will describe our efforts in material synthesis and analytical methods development that we will use to provide the fundamental science required to characterize actinide oxide molecular structures for forensics science. Structural properties and initial results to measure structural variability of uranium oxide samples using synchrotron-based X-ray Absorption Fine Structure will be discussed.

  14. NETL Earns Carnegie Science Awards for Advanced Materials, Corporate

    Energy Savers [EERE]

    Innovation | Department of Energy Earns Carnegie Science Awards for Advanced Materials, Corporate Innovation NETL Earns Carnegie Science Awards for Advanced Materials, Corporate Innovation March 5, 2013 - 9:16am Addthis WASHINGTON, D.C. - For its leadership and innovation in science and technology, the National Energy Technology Laboratory has earned two Carnegie Science Awards from the Carnegie Science Center. NETL representatives will pick up the Advanced Materials Award and the Corporate

  15. Center for Nanophase Materials Sciences (CNMS) | U.S. DOE Office of Science

    Office of Science (SC) Website

    (SC) Nanophase Materials Sciences (CNMS) Scientific User Facilities (SUF) Division SUF Home About User Facilities X-Ray Light Sources Neutron Scattering Facilities Nanoscale Science Research Centers (NSRCs) Center for Functional Nanomaterials (CFN) Center for Integrated Nanotechnologies (CINT) Center for Nanophase Materials Sciences (CNMS) Center for Nanoscale Materials (CNM) The Molecular Foundry (TMF) Projects Accelerator & Detector Research Science Highlights Principal Investigators'

  16. Exploiting Asynchrony for Exascale Computational Materials Science

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

    Outline * Why cant we keep doing things the way weve always done? - Case study: molecular dynamics in the massively parallel era: from the Thinking Machines CM-5 and Cray...

  17. Introduction to computed microtomography and applications in Earth science

    Office of Scientific and Technical Information (OSTI)

    (Book) | SciTech Connect Introduction to computed microtomography and applications in Earth science Citation Details In-Document Search Title: Introduction to computed microtomography and applications in Earth science Authors: Rivers, M. [1] + Show Author Affiliations (UC) Publication Date: 2014-12-22 OSTI Identifier: 1168409 Resource Type: Book Resource Relation: Related Information: CMS Workshop Lectures, Advanced Applications of Synchrotron Radiation in Clay Science Publisher: 2014; Tha

  18. NNSA/CEA Cooperation in Computer Science | National Nuclear Security

    National Nuclear Security Administration (NNSA)

    Administration Computing NNSA/CEA Cooperation in Computer Science Introduction On March 13, 2002 Directors of the DOE/National Nuclear Security Administration (NNSA) and the Commissariat à L'Energie Atomique (CEA) signed an International Agreement to formalize and strengthen Cooperation in Computing Sciences. Since then technical staff members from NNSA National Laboratories [Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory (LANL) and Sandia National

  19. 10 science highlights celebrating 10 years of Argonne Leadership Computing

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

    Facility | Argonne Leadership Computing Facility 10 science highlights celebrating 10 years of Argonne Leadership Computing Facility Author: Louise Lerner February 2, 2016 Facebook Twitter LinkedIn Google E-mail Printer-friendly version This week, the Argonne Leadership Computing Facility, a DOE Office of Science User Facility, turns one decade old. ALCF is home to Mira, the world's fifth-fastest supercomputer, along with teams of experts that help researchers from all over the world perform

  20. Large Scale Computing and Storage Requirements for Basic Energy Sciences:

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

    Target 2014 Large Scale Computing and Storage Requirements for Basic Energy Sciences: Target 2014 BESFrontcover.png Final Report Large Scale Computing and Storage Requirements for Basic Energy Sciences, Report of the Joint BES/ ASCR / NERSC Workshop conducted February 9-10, 2010 Workshop Agenda The agenda for this workshop is presented here: including presentation times and speaker information. Read More » Workshop Presentations Large Scale Computing and Storage Requirements for Basic

  1. Computer Science and Information Technology Student Pipeline

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

    Science and Information Technology Student Pipeline Program Description Los Alamos ... Students are provided a mentor and challenging projects to demonstrate their capabilities ...

  2. Scientists use world's fastest computer to model materials under...

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

    Materials under extreme conditions Scientists use world's fastest computer to model materials under extreme conditions Materials scientists are for the first time attempting to...

  3. Data Science and Optimal Learning for Material Discovery and Design

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

    Data Science & Optimal Learning for Material Discovery & Design Data Science and Optimal Learning for Material Discovery and Design WHEN: May 16, 2016 8:00 AM - May 18, 2016 5:00 PM WHERE: Hilton Santa Fe CONTACT: Karla Jackson (505) 667-5336 CATEGORY: Community Science TYPE: Conference INTERNAL: Calendar Login Event Description Accelerating materials discovery has been an emerging theme in several Office of Science and other government reports and proposal calls. It also has been the

  4. Gender Equity in Materials Science and Engineering

    SciTech Connect (OSTI)

    Angus Rockett

    2008-12-01

    At the request of the University Materials Council, a national workshop was convened to examine 'Gender Equity Issues in Materials Science and Engineering.' The workshop considered causes of the historic underrepresentation of women in materials science and engineering (MSE), with a goal of developing strategies to increase the gender diversity of the discipline in universities and national laboratories. Specific workshop objectives were to examine efforts to level the playing field, understand implicit biases, develop methods to minimize bias in all aspects of training and employment, and create the means to implement a broadly inclusive, family-friendly work environment in MSE departments. Held May 18-20, 2008, at the Conference Center at the University of Maryland, the workshop included heads and chairs of university MSE departments and representatives of the National Science Foundation (NSF), the Office of Basic Energy Sciences of the Department of Energy (DOE-BES), and the national laboratories. The following recommendations are made based on the outcomes of the discussions at the workshop. Many or all of these apply equally well to universities and national laboratories and should be considered in context of industrial environments as well. First, there should be a follow-up process by which the University Materials Council (UMC) reviews the status of women in the field of MSE on a periodic basis and determines what additional changes should be made to accelerate progress in gender equity. Second, all departments should strengthen documentation and enforcement of departmental procedures such that hiring, promotion, compensation, and tenure decisions are more transparent, that the reasons why a candidate was not selected or promoted are clear, and that faculty are less able to apply their biases to personnel decisions. Third, all departments should strengthen mentoring of junior faculty. Fourth, all departments must raise awareness of gender biases and work to eliminate hostile attitudes and environments that can make academic and national laboratory careers unattractive to women. Fifth, with respect to raising awareness among faculty, staff and students, a new type of training session should be developed that would be more effective in conveying the facts and consequences of gender bias than the conventional presentations typically available, which seem not to be highly effective in changing attitudes or behaviors. Sixth, it is proposed that the UMC establish a certification of 'family-friendly' or 'gender equivalent' institutions that would encourage organizations to meet standards for minimizing gender bias and promoting supportive work environments. Seventh, novel approaches to adjusting job responsibilities of faculty, staff, and students to permit them to deal with family/life issues are needed that do not carry stigmas. Finally, faculty and national laboratory staff need to promote the benefits of their careers to women so that a more positive image of the job of materials scientist or materials engineer is presented.

  5. Center for Nanophase Materials Sciences (CNMS) - News

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

    Physics, National Academy of Science of Ukraine, Kiev, Ukraine 8 Faculty of Science and Technology, MESA+ Institute for Nanotechnology, University of Twente, 7500 AE,...

  6. Vidvuds Ozolins: Department of Materials Science and Engineering UCLA &

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

    Director of DOE EFRC Molecularly Engineered Energy Materials | Center for Energy Efficient Materials Vidvuds Ozolins: Department of Materials Science and Engineering UCLA & Director of DOE EFRC Molecularly Engineered Energy Materials Nov 13, 2013 | 4:00 PM - 5:00 PM Vidvuds Ozolins Professor, Department of Materials Science and Engineering, & Director, DOE EFRC Molecularly Engineered Energy Materials, University of California, Los Angeles Title Coming Soon November 13, 2013 | 4:00pm

  7. Fermilab | Science at Fermilab | Computing | Networking

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

    Detectors and Computing Detectors and Computing Computing Networking Physicists are constantly exchanging information, within Fermilab and between Fermilab and collaborating institutions. They do this from the design phase of an experiment to long after they have finished collecting data. To move huge amounts of data from one place to another, Fermilab needs high-performance networking. For years, Fermilab has been the largest user of Energy Services Network, or ESnet, a network the Department

  8. Chemistry and Materials Science progress report, FY 1994. Revision 2

    SciTech Connect (OSTI)

    NONE

    1996-01-01

    Thrust areas of the weapons-supporting research include surface science, fundamentals of the physics and processing of metals, energetic materials, etc. The laboratory directed R and D include director`s initiatives, individual projects, and transactinium science studies.

  9. Fermilab | Science | Particle Physics | Scientific Computing

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

    State-of-the-art computing facilities and expertise drive successful research in experimental and theoretical particle physics. Fermilab is a pioneer in managing "big data" and ...

  10. Division of Materials Science (DMS) meeting presentation

    SciTech Connect (OSTI)

    Cline, C.F.; Weber, M.J.

    1982-11-08

    Materials preparation techniques are listed. Materials preparation capabilities are discussed for making BeF/sub 2/ glasses and other materials. Materials characterization techniques are listed. (DLC)

  11. NREL: Energy Systems Integration - Computational Science and Visualization

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

    Computational Science and Visualization Computational science and visualization capabilities at NREL propel technology innovation as a research tool by which scientists and engineers find new ways to tackle our nation's energy challenges-challenges that cannot be addressed through traditional experimentation alone. These efforts will save time and money, significantly improve the likelihood of breakthroughs and useful advances, and reduce risks and uncertainties that are often barriers to

  12. Training April 5 - Material Science and Chemistry Applications

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

    April 5 Training April 5 - Material Science and Chemistry Applications March 9, 2011 by Francesca Verdier Training on "Using Chemistry and Material Sciences Applications" will be held April 5, presented simultaneously on the web and at NERSC. See Chemistry and Material Sciences Applications. Subscribe via RSS Subscribe Browse by Date May 2016 April 2016 January 2016 December 2015 November 2015 October 2015 September 2015 August 2015 July 2015 April 2015 March 2015 January 2015 December

  13. Advances and Challenges in Computational Plasma Science

    SciTech Connect (OSTI)

    W.M. Tang; V.S. Chan

    2005-01-03

    Scientific simulation, which provides a natural bridge between theory and experiment, is an essential tool for understanding complex plasma behavior. Recent advances in simulations of magnetically-confined plasmas are reviewed in this paper with illustrative examples chosen from associated research areas such as microturbulence, magnetohydrodynamics, and other topics. Progress has been stimulated in particular by the exponential growth of computer speed along with significant improvements in computer technology.

  14. Center for Nanophase Materials Sciences (CNMS) - CNMS Research

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

    AL 35487 (USA) 2-Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (USA) 3-Department of Chemistry, University of Kentucky,...

  15. Iver Anderson, Division of Materials Sciences and Engineering...

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

    Iver Anderson, Division of Materials Sciences and Engineering, The Ames Laboratory, Current and Future Direction in Processing Rare Earth Alloys for Clean Energy Applications Iver...

  16. Center for Nanophase Materials Sciences (CNMS) - 2014 CNMS User...

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

    Materials Sciences Oak Ridge National Laboratory September 15-19, 2014 Chestnut Ridge Campus of Oak Ridge National Laboratory Oak Ridge, Tennessee User Meeting Announcement User...

  17. Center for Nanophase Materials Sciences (CNMS) - 2011 CNMS User...

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

    Materials Sciences Oak Ridge National Laboratory September 19-20, 2011 Chestnut Ridge Campus of Oak Ridge National Laboratory Oak Ridge, Tennessee User Meeting Announcement User...

  18. Center for Nanophase Materials Sciences (CNMS) - CNMS Research

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

    Micronanofabricated environments for synthetic biology C. Patrick Collier and Michael L. Simpson Nanofabrication Research Laboratory, Center for Nanophase Materials Sciences Oak...

  19. Center for Nanophase Materials Sciences - Summer Newsletter 2010

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

    1 Department of Chemistry, Vanderbilt University, Station B 351824, Nashville, TN 37235, USA 2 Center for Nanophase Materials Sciences at Oak Ridge National Laboratory, 1 Bethel...

  20. Sandia Energy - Materials Science and Engineering Support for...

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

    Materials Science and Engineering Support for Microsystems-Enabled Photovoltaic Grand Challenge Laboratory-Directed Research and Development Project Home Renewable Energy Energy...

  1. Alamos National Laboratory] Materials Science(36) Abstract Not...

    Office of Scientific and Technical Information (OSTI)

    Co-Design at the Mesoscale: Opportunities for NSLS-II Sarrao, John L. Los Alamos National Laboratory Materials Science(36) Abstract Not Provided Los Alamos National Laboratory...

  2. Energy Frontier Research Center Center for Materials Science...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Energy Frontier Research Center Center for Materials Science of Nuclear Fuels Citation ... dispersion, and, further, that advanced lattice dynamics simulations ...

  3. DOE-EERE/NIST Joint Workshop on Combinatorial Materials Science...

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

    EERENIST Joint Workshop on Combinatorial Materials Science for Applications in Energy ... and discussion results from breakout groups, are posted on the NCMC Web site.

  4. Computational Science Research in Support of Petascale Electromagnetic Modeling

    SciTech Connect (OSTI)

    Lee, L.-Q.; Akcelik, V; Ge, L; Chen, S; Schussman, G; Candel, A; Li, Z; Xiao, L; Kabel, A; Uplenchwar, R; Ng, C; Ko, K; /SLAC

    2008-06-20

    Computational science research components were vital parts of the SciDAC-1 accelerator project and are continuing to play a critical role in newly-funded SciDAC-2 accelerator project, the Community Petascale Project for Accelerator Science and Simulation (ComPASS). Recent advances and achievements in the area of computational science research in support of petascale electromagnetic modeling for accelerator design analysis are presented, which include shape determination of superconducting RF cavities, mesh-based multilevel preconditioner in solving highly-indefinite linear systems, moving window using h- or p- refinement for time-domain short-range wakefield calculations, and improved scalable application I/O.

  5. High Performance Computing at TJNAF| U.S. DOE Office of Science...

    Office of Science (SC) Website

    Performance Computing at TJNAF Nuclear Physics (NP) NP Home About Research Facilities Science Highlights Benefits of NP Applications of Nuclear Science Applications of Nuclear Science ...

  6. FWP executive summaries: basic energy sciences materials sciences and engineering program (SNL/NM).

    SciTech Connect (OSTI)

    Samara, George A.; Simmons, Jerry A.

    2006-07-01

    This report presents an Executive Summary of the various elements of the Materials Sciences and Engineering Program which is funded by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy at Sandia National Laboratories, New Mexico. A general programmatic overview is also presented.

  7. Computational Science Graduate Fellowship (CSGF) | U.S. DOE Office of

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

    Science (SC) Computational Science Graduate Fellowship (CSGF) Advanced Scientific Computing Research (ASCR) ASCR Home About Research Facilities User Facilities Accessing ASCR Facilities Computational Science Graduate Fellowship (CSGF) Research & Evaluation Prototypes (REP) Science Highlights Benefits of ASCR Funding Opportunities Advanced Scientific Computing Advisory Committee (ASCAC) Community Resources Contact Information Advanced Scientific Computing Research U.S. Department of

  8. Ames Lab 101: Improving Materials with Advanced Computing

    ScienceCinema (OSTI)

    Johnson, Duane

    2014-06-04

    Ames Laboratory's Chief Research Officer Duane Johnson talks about using advanced computing to develop new materials and predict what types of properties those materials will have.

  9. Hour of Code sparks interest in computer science

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

    STEM skills Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue:May 2016 all issues All Issues » submit Hour of Code sparks interest in computer science Taking the mystery out of programming February 1, 2016 Hour of Code participants work their way through fun computer programming tutorials. Hour of Code participants work their way through fun computer programming tutorials. Contacts Community Programs Director Kathy Keith Email Editor

  10. Chemistry and materials science progress report, FY 1994

    SciTech Connect (OSTI)

    NONE

    1995-07-01

    Research is reported in the areas of surface science, fundamentals of the physics and processing of metals, energetic materials, transactinide materials and properties and other indirectly related areas of weapons research.

  11. Materials and Chemical Sciences Division annual report 1989

    SciTech Connect (OSTI)

    Not Available

    1990-07-01

    This report describes research conducted at Lawrence Berkeley Laboratories, programs are discussed in the following topics: materials sciences; chemical sciences; fossil energy; energy storage systems; health and environmental sciences; exploratory research and development funds; and work for others. A total of fifty eight programs are briefly presented. References, figures, and tables are included where appropriate with each program.

  12. Ultrafast Materials and Chemical Sciences FOA | U.S. DOE Office...

    Office of Science (SC) Website

    Ultrafast Materials and Chemical Sciences FOA Basic Energy Sciences (BES) BES Home About ... Funding Opportunities Ultrafast Materials and Chemical Sciences FOA Print Text Size: A A A ...

  13. Evaluation of Natural Gas Pipeline Materials for Hydrogen Science |

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

    Department of Energy Natural Gas Pipeline Materials for Hydrogen Science Evaluation of Natural Gas Pipeline Materials for Hydrogen Science Presentation by 04-Adams to DOE Hydrogen Pipeline R&D Project Review Meeting held January 5-6, 2005 at Oak Ridge National Laboratory in Oak Ridge, Tennessee. PDF icon 04_adams_nat_gas.pdf More Documents & Publications Evalutation of Natural Gas Pipeline Materials and Infrastructure for Hydrogen/Mixed Gas Service Hydrogen Compatibility of Materials

  14. Biomolecular Materials | U.S. DOE Office of Science (SC)

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

    Biomolecular Materials Materials Sciences and Engineering (MSE) Division MSE Home About Research Areas Energy Frontier Research Centers (EFRCs) DOE Energy Innovation Hubs BES Funding Opportunities Reports and Activities Science Highlights Principal Investigators' Meetings BES Home Research Areas Biomolecular Materials Print Text Size: A A A FeedbackShare Page This activity supports basic research in the discovery, design and synthesis of biomimetic and bioinspired functional materials and

  15. TORCH Computational Reference Kernels - A Testbed for Computer Science Research

    SciTech Connect (OSTI)

    Kaiser, Alex; Williams, Samuel Webb; Madduri, Kamesh; Ibrahim, Khaled; Bailey, David H.; Demmel, James W.; Strohmaier, Erich

    2010-12-02

    For decades, computer scientists have sought guidance on how to evolve architectures, languages, and programming models in order to improve application performance, efficiency, and productivity. Unfortunately, without overarching advice about future directions in these areas, individual guidance is inferred from the existing software/hardware ecosystem, and each discipline often conducts their research independently assuming all other technologies remain fixed. In today's rapidly evolving world of on-chip parallelism, isolated and iterative improvements to performance may miss superior solutions in the same way gradient descent optimization techniques may get stuck in local minima. To combat this, we present TORCH: A Testbed for Optimization ResearCH. These computational reference kernels define the core problems of interest in scientific computing without mandating a specific language, algorithm, programming model, or implementation. To compliment the kernel (problem) definitions, we provide a set of algorithmically-expressed verification tests that can be used to verify a hardware/software co-designed solution produces an acceptable answer. Finally, to provide some illumination as to how researchers have implemented solutions to these problems in the past, we provide a set of reference implementations in C and MATLAB.

  16. Center for Nanophase Materials Sciences - Conference 2015

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

    highly promising approach to expedite the materials discovery process using theory-guided electronic and structural engineering. This roundtable will bring together materials...

  17. Fermilab | Science at Fermilab | Computing | Mass Storage

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

    Data is stored on tapes in Central Mass Storage. Data is stored on tapes in Central Mass Storage. Computing Mass Storage Fermilab stores tens of petabytes of scientific data in its mass storage system. A petatbyte of information is equal to 10^15 bytes. The laboratory stores data long-term using a tape storage system called Enstore. Researchers can access this data directly on-site or through disk caching software called dCache both on-site and off-site. dCache, together with Enstore, allows

  18. Multiscale Computation. Needs and Opportunities for BER Science

    SciTech Connect (OSTI)

    Scheibe, Timothy D.; Smith, Jeremy C.

    2015-01-01

    The Environmental Molecular Sciences Laboratory (EMSL), a scientific user facility managed by Pacific Northwest National Laboratory for the U.S. Department of Energy, Office of Biological and Environmental Research (BER), conducted a one-day workshop on August 26, 2014 on the topic of “Multiscale Computation: Needs and Opportunities for BER Science.” Twenty invited participants, from various computational disciplines within the BER program research areas, were charged with the following objectives; Identify BER-relevant models and their potential cross-scale linkages that could be exploited to better connect molecular-scale research to BER research at larger scales and; Identify critical science directions that will motivate EMSL decisions regarding future computational (hardware and software) architectures.

  19. Applications Solutions Science Predicting Materials Behavior

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

    ......... 32 Theme: Complex Process ... 48 Theme: Materials Informatics ......... 53 LANL Organizations ...

  20. Center for Nanophase Materials Sciences - Newsletter January...

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

    (NIST), Gaithersburg, MD where I lead a project on Nanoparticle Assembly in Complex Fluids. Before joining NIST, I completed my Ph.D. in 2001 in Polymer Science and...

  1. DOE fundamentals handbook: Material science. Volume 1

    SciTech Connect (OSTI)

    Not Available

    1993-01-01

    The Mechanical Science Handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of mechanical components and mechanical science. The handbook includes information on diesel engines, heat exchangers, pumps, valves, and miscellaneous mechanical components. This information will provide personnel with a foundation for understanding the construction and operation of mechanical components that are associated with various DOE nuclear facility operations and maintenance.

  2. NREL: Solar Research - Materials and Chemical Science and Technology

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

    Materials and Chemical Science and Technology The Materials and Chemical Science & Technology (MCST) directorate's capabilities span fundamental and applied R&D for renewable energy and energy efficiency. Key program areas include solar energy conversion for electricity and fuels, materials discovery and development for renewable energy technologies, hydrogen production and storage, and fuel cells. The MCST directorate-led by Associate Laboratory Director William Tumas-includes the

  3. Materials Chemistry | U.S. DOE Office of Science (SC)

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

    Chemistry Materials Sciences and Engineering (MSE) Division MSE Home About Research Areas Energy Frontier Research Centers (EFRCs) DOE Energy Innovation Hubs BES Funding Opportunities Reports and Activities Science Highlights Principal Investigators' Meetings BES Home Research Areas Materials Chemistry Print Text Size: A A A FeedbackShare Page This research activity supports basic research in chemical synthesis and discovery of new materials. The major programmatic focus is on the discovery,

  4. Center for Nanophase Materials Sciences (CNMS) - Nanomaterials...

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

    THEORY INSTITUTE (NTI): THEORY, MODELING & SIMULATION CAPABILITIES NTI Computational Cluster The NTI maintains a 12 teraflop Beowulf cluster in support of the capacity-level...

  5. Reference Materials

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

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Advanced Scientific Computing Research January 5-6, 2011 Official DOE Invitation Workshop Invitation Letter from DOE Associate Directors NERSC Documents NERSC science requirements home page NERSC science requirements workshop page NERSC science requirements case study FAQ Previous NERSC Requirements Workshops Biological and Environmental Research (BER) Basic Energy Sciences (BES) Fusion Energy Sciences

  6. Supporting large-scale computational science

    SciTech Connect (OSTI)

    Musick, R., LLNL

    1998-02-19

    Business needs have driven the development of commercial database systems since their inception. As a result, there has been a strong focus on supporting many users, minimizing the potential corruption or loss of data, and maximizing performance metrics like transactions per second, or TPC-C and TPC-D results. It turns out that these optimizations have little to do with the needs of the scientific community, and in particular have little impact on improving the management and use of large-scale high-dimensional data. At the same time, there is an unanswered need in the scientific community for many of the benefits offered by a robust DBMS. For example, tying an ad-hoc query language such as SQL together with a visualization toolkit would be a powerful enhancement to current capabilities. Unfortunately, there has been little emphasis or discussion in the VLDB community on this mismatch over the last decade. The goal of the paper is to identify the specific issues that need to be resolved before large-scale scientific applications can make use of DBMS products. This topic is addressed in the context of an evaluation of commercial DBMS technology applied to the exploration of data generated by the Department of Energy`s Accelerated Strategic Computing Initiative (ASCI). The paper describes the data being generated for ASCI as well as current capabilities for interacting with and exploring this data. The attraction of applying standard DBMS technology to this domain is discussed, as well as the technical and business issues that currently make this an infeasible solution.

  7. Center for Nanophase Materials Sciences (CNMS) - Related ORNL...

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

    In particular, the facilities listed on this page offer a variety of capabilities for materials characterization and computational nanoscience that may enhance the research...

  8. DOE fundamentals handbook: Material science. Volume 2

    SciTech Connect (OSTI)

    Not Available

    1993-01-01

    This handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of the structure and properties of metals. This volume contains the following modules: thermal shock (thermal stress, pressurized thermal shock), brittle fracture (mechanism, minimum pressurization-temperature curves, heatup/cooldown rate limits), and plant materials (properties considered when selecting materials, fuel materials, cladding and reflectors, control materials, nuclear reactor core problems, plant material problems, atomic displacement due to irradiation, thermal and displacement spikes due to irradiation, neutron capture effect, radiation effects in organic compounds, reactor use of aluminum).

  9. UNCLASSIFIED Institute for Materials Science Sponsored Seminar

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

    Dr. Sergii L. Dudarev Programme Grant Modelling Co-ordinator & Visiting Professor Oxford University Materials United Kingdom "Magnetic" Molecular Dynamics and Other Models for Fusion Reactor Materials Tuesday, September 15, 2015 2:00 - 3:00pm MSL Auditorium (TA-03 - Bldg 1698 - Room A103) Abstract - Multiscale models for fusion reactor materials address both the initial stages of production of radiation defects, where the recently discovered power law statistics of defect

  10. 2004 research briefs :Materials and Process Sciences Center.

    SciTech Connect (OSTI)

    Cieslak, Michael J.

    2004-01-01

    This report is the latest in a continuing series that highlights the recent technical accomplishments associated with the work being performed within the Materials and Process Sciences Center. Our research and development activities primarily address the materials-engineering needs of Sandia's Nuclear-Weapons (NW) program. In addition, we have significant efforts that support programs managed by the other laboratory business units. Our wide range of activities occurs within six thematic areas: Materials Aging and Reliability, Scientifically Engineered Materials, Materials Processing, Materials Characterization, Materials for Microsystems, and Materials Modeling and Simulation. We believe these highlights collectively demonstrate the importance that a strong materials-science base has on the ultimate success of the NW program and the overall DOE technology portfolio.

  11. Center for Nanophase Materials Sciences (CNMS) - News

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

    ... "ORNL materials researchers get first look at atom-thin boundaries," Space Daily (November 11, 2014) "UT, ORNL Team Up in Possible Spintronics Advancement," Tennessee Today ...

  12. Center for Nanophase Materials Sciences (CNMS) - Themes

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

    is home to our synthetic macromolecular capabilities and our complementary efforts in designing functional materials, including those with hybrid molecular architectures, for...

  13. Center for Nanophase Materials Sciences (CNMS) - Nanofabrication...

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

    clean room space for carrying out material modification using advanced lithographic, etching, thin-film deposition, and characterization tools. Process Design Assistance with...

  14. Evaluation of Natural Gas Pipeline Materials for Hydrogen Science...

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

    Evaluation of Natural Gas Pipeline Materials for Hydrogen Science Presentation by 04-Adams to DOE Hydrogen Pipeline R&D Project Review Meeting held January 5-6, 2005 at Oak Ridge ...

  15. Biology Chemistry & Material Science Laboratory 2 | Sample Preparation...

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

    2 Cynthia Patty | (650) 926-3925 Biology Chemistry & Material Science Laboratory 2 Inventory The BioChemMat Lab 2 (BCM 2) at SSRL is dedicated to researcher experiments, including...

  16. Biology Chemistry & Material Science Laboratory 1 | Sample Preparation...

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

    1 Cynthia Patty | (650) 926-3925 Biology Chemistry & Material Science Laboratory 1 Inventory The BioChemMat Lab 1 at SSRL is dedicated to researcher experiments, including x-ray...

  17. NERSC, LBL Researchers Share Materials Science Advances at APS

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

    NERSC, LBL Researchers Highlight Materials Science at APS NERSC, LBL Researchers Share Materials Science Advances at APS March 3, 2014 APSlogo NERSC and Lawrence Berkeley National Laboratory (LBL) are well represented this week at the American Physical Society (APS) March meeting. Some 10,000 physicists, scientists, and students are expected to attend this year's meeting, which takes place March 3-7 in Denver, CO. Physicists and students will report on groundbreaking research from industry,

  18. Energy Frontier Research Center Center for Materials Science of Nuclear

    Office of Scientific and Technical Information (OSTI)

    Fuels (Technical Report) | SciTech Connect Frontier Research Center Center for Materials Science of Nuclear Fuels Citation Details In-Document Search Title: Energy Frontier Research Center Center for Materials Science of Nuclear Fuels Scientific Successes * The first phonon density of states (PDOS) measurements for UO2 to include anharmonicity were obtained using time-of-flight inelastic neutron scattering at the Spallation Neutron Source (SNS), and an innovative, experimental-based

  19. Perspective: Codesign for materials science: An optimal learning approach

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Perspective: Codesign for materials science: An optimal learning approach Citation Details In-Document Search Title: Perspective: Codesign for materials science: An optimal learning approach Authors: Lookman, Turab [1] ; Alexander, Francis J. [1] ; Bishop, Alan R. [1] + Show Author Affiliations Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA Publication Date: 2016-04-07 OSTI Identifier: 1246183 Type: Published Article Journal Name: APL

  20. Energy Frontier Research Center Center for Materials Science of Nuclear

    Office of Scientific and Technical Information (OSTI)

    Fuels (Technical Report) | SciTech Connect Technical Report: Energy Frontier Research Center Center for Materials Science of Nuclear Fuels Citation Details In-Document Search Title: Energy Frontier Research Center Center for Materials Science of Nuclear Fuels Scientific Successes * The first phonon density of states (PDOS) measurements for UO2 to include anharmonicity were obtained using time-of-flight inelastic neutron scattering at the Spallation Neutron Source (SNS), and an innovative,

  1. Bayer Material Science (TRL 1 2 3 System)- River Devices to Recover Energy with Advanced Materials(River DREAM)

    Broader source: Energy.gov [DOE]

    Bayer Material Science (TRL 1 2 3 System) - River Devices to Recover Energy with Advanced Materials(River DREAM)

  2. Materials Frontiers to Empower Quantum Computing (Technical Report...

    Office of Scientific and Technical Information (OSTI)

    and their origins in materials defects and environmental coupling. Realizing this vision systematically and predictively will be transformative for quantum computing and will...

  3. Aerogel Insulation: The Materials Science of Empty Space | Department of

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

    Energy Aerogel Insulation: The Materials Science of Empty Space Aerogel Insulation: The Materials Science of Empty Space October 11, 2013 - 10:11am Addthis Aspen Aerogel's innovative insulation material works well under very cold and very hot temperatures. Here, the insulation is held over a flame.<br/> <em>Photo Courtesy of Aspen Aerogels</em> Aspen Aerogel's innovative insulation material works well under very cold and very hot temperatures. Here, the insulation is held

  4. ASCR Leadership Computing Challenge (ALCC) | U.S. DOE Office of Science

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

    (SC) ASCR Leadership Computing Challenge (ALCC) Advanced Scientific Computing Research (ASCR) ASCR Home About Research Facilities User Facilities Accessing ASCR Facilities Innovative & Novel Computational Impact on Theory & Experiement (INCITE) ASCR Leadership Computing Challenge (ALCC) Industrial Users Computational Science Graduate Fellowship (CSGF) Research & Evaluation Prototypes (REP) Science Highlights Benefits of ASCR Funding Opportunities Advanced Scientific Computing

  5. Polymer/Elastomer and Composite Material Science

    Broader source: Energy.gov [DOE]

    Presentation by Kevin Simmons, Pacific Northwest National Laboratory, at the U.S. Department of Energy's Polymer and Composite Materials Meeting, held October 17-18, 2012, in Washington, D.C.

  6. Center for Nanophase Materials Sciences - Newsletter January...

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

    were recently purchased with American Recovery and Reinvestment Act funds, including new SEM and TEMSTEM capabilities for soft materials, small-angle x-ray scattering, and in the...

  7. Center for Nanophase Materials Sciences - Newsletter January...

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

    CNMS Updates The CNMS has a new director Sean Smith from the University of Queensland in Australia has accepted the position of director for the Center for Nanophase Materials...

  8. Advanced Materials Development through Computational Design ...

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

    Presentation given at the 2007 Diesel Engine-Efficiency & Emissions Research Conference (DEER ... Office Merit Review 2015: High Temperature Materials for High Efficiency Engines ...

  9. FWP executive summaries, Basic Energy Sciences Materials Sciences Programs (SNL/NM)

    SciTech Connect (OSTI)

    Samara, G.A.

    1997-05-01

    The BES Materials Sciences Program has the central theme of Scientifically Tailored Materials. The major objective of this program is to combine Sandia`s expertise and capabilities in the areas of solid state sciences, advanced atomic-level diagnostics and materials synthesis and processing science to produce new classes of tailored materials as well as to enhance the properties of existing materials for US energy applications and for critical defense needs. Current core research in this program includes the physics and chemistry of ceramics synthesis and processing, the use of energetic particles for the synthesis and study of materials, tailored surfaces and interfaces for materials applications, chemical vapor deposition sciences, artificially-structured semiconductor materials science, advanced growth techniques for improved semiconductor structures, transport in unconventional solids, atomic-level science of interfacial adhesion, high-temperature superconductors, and the synthesis and processing of nano-size clusters for energy applications. In addition, the program includes the following three smaller efforts initiated in the past two years: (1) Wetting and Flow of Liquid Metals and Amorphous Ceramics at Solid Interfaces, (2) Field-Structured Anisotropic Composites, and (3) Composition-Modulated Semiconductor Structures for Photovoltaic and Optical Technologies. The latter is a joint effort with the National Renewable Energy Laboratory. Separate summaries are given of individual research areas.

  10. New partnership uses advanced computer science modeling to address climate

    National Nuclear Security Administration (NNSA)

    change | National Nuclear Security Administration partnership uses advanced computer science modeling to address climate change Friday, August 29, 2014 - 10:26am Several national laboratories and institutions have joined forces to develop and apply the most complete climate and Earth system model to address the most challenging and demanding climate change issues. Accelerated Climate Modeling for Energy, or ACME, is designed to accelerate the development and application of fully coupled,

  11. DOE fundamentals handbook: Material science. Volume 1

    SciTech Connect (OSTI)

    Not Available

    1993-01-01

    This handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of the structure and properties of metals. This volume contains the two modules: structure of metals (bonding, common lattic types, grain structure/boundary, polymorphis, alloys, imperfections in metals) and properties of metals (stress, strain, Young modulus, stress-strain relation, physical properties, working of metals, corrosion, hydrogen embrittlement, tritium/material compatibility).

  12. UNCLASSIFIED Institute for Materials Science Sponsored Lecture

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

    Antonia Antoniou Georgia Institute of Technology, Atlanta, Georgia Mechanical Behavior of Hierarchical Nanoporous Metals Thursday, August 27, 2015 1:30 - 2:30pm MSL Auditorium (TA-03, Bldg. 1698, Room A103) Abstract: Nanoporous (NP) metal foams are a unique class of materials that are characterized by extremely high surface-to- volume ratios and possess such desirable properties of metals as high electrical conductivity, catalytic activity, and strength. This unusual combination of properties is

  13. UNCLASSIFIED Institute for Materials Science Sponsored Seminar

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

    Professor Robert L. Whetten University of Texas, San Antonio Alexander von Humboldt Senior Scientist Award recipiant Z 60 , Phantaspheraurate Thursday, September 10, 2015 3 - 4pm IMS/MPA Conference Room (TA3-0032-134) Abstract: Discovery of new substances and their underlying principles consists not so much of "new materials analyzed by established methods" but rather of ancient ones elucidated by newly developed methods. So we had better focus on the advances - new instruments and

  14. Computational Age Dating of Special Nuclear Materials

    SciTech Connect (OSTI)

    2012-06-30

    This slide-show presented an overview of the Constrained Progressive Reversal (CPR) method for computing decays, age dating, and spoof detecting. The CPR method is: Capable of temporal profiling a SNM sample; Precise (compared with known decay code, such a ORIGEN); Easy (for computer implementation and analysis).  We have illustrated with real SNM data using CPR for age dating and spoof detection. If SNM is pure, may use CPR to derive its age. If SNM is mixed, CPR will indicate that it is mixed or spoofed.

  15. Reference Materials

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

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Basic Energy Sciences February 9-10, 2010 Official DOE Invitation Workshop Invitation...

  16. Public Informational Materials | Argonne Leadership Computing Facility

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

    News & Events Web Articles In the News Upcoming Events Past Events Informational Materials Photo Galleries Public Informational Materials Annual Reports 2015 ALCF Annual Report 2015 ALCF Annual Report March 2016 PDF icon 2015 ALCF Annual Report 2014 ALCF Annual Report 2014 ALCF Annual Report March 2015 PDF icon 2014 ALCF Annual Report 2013 ALCF Annual Report ALCF 2013 Annual Report May 2014 PDF icon 2013 ALCF Annual Report 2012 ALCF Annual Report ALCF 2012 Annual Report July 2013 PDF icon

  17. New DOE Office of Science support for CAMERA to develop computational...

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

    to develop computational mathematics for experimental facilities research New DOE Office of Science support for CAMERA to develop computational mathematics for experimental ...

  18. Core Research Activities and Studies of the Computer Science and Telecommunications Board

    SciTech Connect (OSTI)

    Eisenberg, Jon K.

    2015-02-11

    Lists activities of the Computer Science and Telecommunications Board and summarizes research results partly enabled by this award.

  19. Are X-rays the key to integrated computational materials engineering?

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

    Ice, Gene E.

    2015-11-01

    The ultimate dream of materials science is to predict materials behavior from composition and processing history. Owing to the growing power of computers, this long-time dream has recently found expression through worldwide excitement in a number of computation-based thrusts: integrated computational materials engineering, materials by design, computational materials design, three-dimensional materials physics and mesoscale physics. However, real materials have important crystallographic structures at multiple length scales, which evolve during processing and in service. Moreover, real materials properties can depend on the extreme tails in their structural and chemical distributions. This makes it critical to map structural distributions with sufficient resolutionmore » to resolve small structures and with sufficient statistics to capture the tails of distributions. For two-dimensional materials, there are high-resolution nondestructive probes of surface and near-surface structures with atomic or near-atomic resolution that can provide detailed structural, chemical and functional distributions over important length scales. Furthermore, there are no nondestructive three-dimensional probes with atomic resolution over the multiple length scales needed to understand most materials.« less

  20. UNCLASSIFIED Institute for Materials Science Distinguished Lecture Series

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

    Professor Tony Rollett Department of Materials Science & Engineering Carnegie Mellon University Advanced Characterization of Additively Manufactured Materials, including Synchrotron-based 3D X-rays Wednesday, August 3, 2016 2:00 - 3:00pm MSL Auditorium (TA-03 - Bldg 1698 - Room A103) ABSTRACT: To come... Background: Professor Rollett's research program emphasizes quantification of microstructure, especially in three dimensions, and its impact on properties and processing using both

  1. Biological Sciences

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

    Science Energy Science Engineering Science Environmental Science Fusion Science Math & Computer Science Nuclear Science Share Your Research NERSC Citations Home Science at...

  2. Computer Science Research Institute 2005 annual report of activities.

    SciTech Connect (OSTI)

    Watts, Bernadette M.; Collis, Samuel Scott; Ceballos, Deanna Rose; Womble, David Eugene

    2008-04-01

    This report summarizes the activities of the Computer Science Research Institute (CSRI) at Sandia National Laboratories during the period January 1, 2005 to December 31, 2005. During this period, the CSRI hosted 182 visitors representing 83 universities, companies and laboratories. Of these, 60 were summer students or faculty. The CSRI partially sponsored 2 workshops and also organized and was the primary host for 3 workshops. These 3 CSRI sponsored workshops had 105 participants, 78 from universities, companies and laboratories, and 27 from Sandia. Finally, the CSRI sponsored 12 long-term collaborative research projects and 3 Sabbaticals.

  3. Computer Science Research Institute 2004 annual report of activities.

    SciTech Connect (OSTI)

    DeLap, Barbara J.; Womble, David Eugene; Ceballos, Deanna Rose

    2006-03-01

    This report summarizes the activities of the Computer Science Research Institute (CSRI) at Sandia National Laboratories during the period January 1, 2004 to December 31, 2004. During this period the CSRI hosted 166 visitors representing 81 universities, companies and laboratories. Of these 65 were summer students or faculty. The CSRI partially sponsored 2 workshops and also organized and was the primary host for 4 workshops. These 4 CSRI sponsored workshops had 140 participants--74 from universities, companies and laboratories, and 66 from Sandia. Finally, the CSRI sponsored 14 long-term collaborative research projects and 5 Sabbaticals.

  4. Computer Science Research Institute 2003 annual report of activities.

    SciTech Connect (OSTI)

    DeLap, Barbara J.; Womble, David Eugene; Ceballos, Deanna Rose

    2006-03-01

    This report summarizes the activities of the Computer Science Research Institute (CSRI) at Sandia National Laboratories during the period January 1, 2003 to December 31, 2003. During this period the CSRI hosted 164 visitors representing 78 universities, companies and laboratories. Of these 78 were summer students or faculty members. The CSRI partially sponsored 5 workshops and also organized and was the primary host for 3 workshops. These 3 CSRI sponsored workshops had 178 participants--137 from universities, companies and laboratories, and 41 from Sandia. Finally, the CSRI sponsored 18 long-term collaborative research projects and 5 Sabbaticals.

  5. PC-DYMAC: Personal Computer---DYnamic Materials ACcounting

    SciTech Connect (OSTI)

    Jackson, B.G.

    1989-11-01

    This manual was designed to provide complete documentation for the computer system used by the EBR-II Fuels and Materials Department, Argonne National Laboratory-West (ANL-W) for accountability of special nuclear materials (SNM). This document includes background information on the operation of the Fuel Manufacturing Facility (FMF), instructions on computer operations in correlation with production and a detailed manual for DYMAC operation. 60 figs.

  6. Integrated Computational Materials Engineering (ICME) for Mg: International

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

    Pilot Project | Department of Energy 1 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon lm012_li_2011_o.pdf More Documents & Publications Integrated Computational Materials Engineering (ICME) for Mg: International Pilot Project Integrated Computational Materials Engineering (ICME) for Mg: International Pilot Project (Part 1) Vehicle Technologies Office Merit Review 2015: Magnesium-Intensive Front End

  7. FY13 Computer Science FAQ | U.S. DOE Office of Science (SC)

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

    2013 Exascale Operating and Runtime Systems Advanced Scientific Computing Research (ASCR) ASCR Home About Research Facilities Science Highlights Benefits of ASCR Funding Opportunities Closed Funding Opportunity Announcements (FOAs) Closed Lab Announcements Award Search / Public Abstracts Additional Requirements and Guidance for Digital Data Management 2013 Exascale Operating and Runtime Systems RX-Solvers FAQ 2015 EXPRESS FAQ .pdf file (90KB) Machine Learning (DE-FOA-0001575) FAQ .pdf file

  8. Accerelate Your Vision | Argonne Leadership Computing Facility

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

    Our Catalysts are computational scientists with domain expertise in areas such as chemistry, materials science, fusion, nuclear physics, plasma physics, computer science, ...

  9. Arthur B. (Barney) Maccabe Computer Science Department Center for High Performance Computing

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

    Linux never has been and never will be "Extreme" Arthur B. (Barney) Maccabe Computer Science Department Center for High Performance Computing The University of New Mexico Salishan April 23, 2003 Salishan April 23, 2003 1 This talk was prepared on a Debain Linux box http://www.debian.org using OpenOffice http://www.openoffice.org Salishan April 23, 2003 1 Outline ● My background: lightweight operating systems ● Linux and world domination ● Adapting to innovative technologies ●

  10. Advancing Materials Science using Neutrons at Oak Ridge National Laboratory

    ScienceCinema (OSTI)

    Carpenter, John

    2014-06-03

    Jack Carpenter, pioneer of accelerator-based pulsed spallation neutron sources, talks about neutron science at Oak Ridge National Laboratory (ORNL) and a need for a second target station at the Spallation Neutron Source (SNS). ORNL is the Department of Energy's largest multiprogram science and energy laboratory, and is home to two scientific user facilities serving the neutron science research community: the High Flux Isotope Reactor (HFIR) and SNS. HFIR and SNS provide researchers with unmatched capabilities for understanding the structure and properties of materials, macromolecular and biological systems, and the fundamental physics of the neutron. Neutrons provide a window through which to view materials at a microscopic level that allow researchers to develop better materials and better products. Neutrons enable us to understand materials we use in everyday life. Carpenter explains the need for another station to produce long wavelength neutrons, or cold neutrons, to answer questions that are addressed only with cold neutrons. The second target station is optimized for that purpose. Modern technology depends more and more upon intimate atomic knowledge of materials, and neutrons are an ideal probe.

  11. June 26 Training: Using Chemistry and Material Sciences Applications

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

    Energy, Office of Scientific and Technical Information June 2014 Most Viewed Documents for Biology And Medicine Science Subject Feed Modification to the Monte Carlo N-Particle (MCNP) Visual Editor (MCNPVised) to Read in Computer Aided Design (CAD) Files Randolph Schwarz; Leland L. Carter; Alysia Schwarz (2005) 37 /> Geothermal demonstration: Zunil food dehydration facility Maldonado, O. (Consultecnia, Guatemala City (Guatemala)); Altseimer, J.; Thayer, G.R. (Los Alamos National Lab., NM

  12. Computing Sciences Staff Help East Bay High Schoolers Upgrade their Summer

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

    Computing Sciences Staff Help East Bay High Schoolers Upgrade their Summer Computing Sciences Staff Help East Bay High Schoolers Upgrade their Summer August 6, 2015 Jon Bashor, jbashor@lbl.gov, +1 510 486 5849 To help prepare students from underrepresented groups learn about careers in a variety of IT fields, the Laney College Computer Information Systems Department offered its Upgrade: Computer Science Program. Thirty-eight students from 10 East Bay high schools registered for the eight-week

  13. Dr Steve Binkley | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    He has conducted research in theoretical chemistry, materials science, computer science, applied mathematics, and microelectronics. At Sandia, Dr. Binkley managed computer science, ...

  14. Scientists use world's fastest computer to model materials under extreme

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

    conditions Materials under extreme conditions Scientists use world's fastest computer to model materials under extreme conditions Materials scientists are for the first time attempting to create atomic-scale models that describe how voids are created, grow, and merge. October 30, 2009 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable

  15. Scientists use world's fastest computer to simulate nanoscale material

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

    failure Nanoscale material failure Scientists use world's fastest computer to simulate nanoscale material failure With this new tool, scientists can better study what nanowires do under stress. October 29, 2009 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma physics and new materials. Los Alamos National

  16. Basic Science Research to Support the Nuclear Materials Focus Area

    SciTech Connect (OSTI)

    Chipman, N. A.; Castle, P. M.; Boak, J. M.; Eller, P. G.

    2002-02-26

    The Department of Energy's (DOE's) Office of Environmental Management (EM) is responsible for managing more than 760,000 metric tons of nuclear material that is excess to the current DOE weapons program, as a result of shutdown of elements of the weapons program, mainly during the 1990s. EMowned excess nuclear material comprises a variety of material types, including uranium, plutonium, other actinides and other radioactive elements in numerous forms, all of which must be stabilized for storage and ultimate disposition. Much of this quantity has been in storage for many years. Shutdown of DOE sites and facilities requires removal of nuclear material and consolidation at other sites, and may be delayed by the lack of available technology. Within EM, the Office of Science and Technology (OST) is dedicated to providing timely, relevant technology to accelerate completion and reduce cleanup cost of the DOE environmental legacy. OST is organized around five focus areas, addressing crucial areas of end-user-defined technology need. The Focus Areas regularly identify potential technical solutions for which basic scientific research is needed to determine if the technical solution can be developed and deployed. To achieve a portfolio of projects that is balanced between near-term priorities driven by programmatic risks (such as site closure milestones) and long-term, high-consequence needs that depend on extensive research and development, OST has established the Environmental Management Science Program (EMSP) to develop the scientific basis for solutions to long-term site needs. The EMSP directs calls for proposals to address scientific needs of the focus areas. Needs are identified and validated annually by individual sites in workshops conducted across the complex. The process captures scope and schedule requirements of the sites, so that focus areas can identify technology that can be delivered to sites in time to complete site cleanup. The Nuclear Material Focus Area (NMFA) has identified over two hundred science and technology needs, of which more than thirty are science needs.

  17. Basic science research to support the nuclear material focus area

    SciTech Connect (OSTI)

    Boak, J. M.; Eller, P. Gary; Chipman, N. A.; Castle, P. M.

    2002-01-01

    The Department of Energy's (DOE'S) Office of Environmental Management (EM) is responsible for managing more than 760,000 metric tons of nuclear material that is excess to the current DOE weapons program, as a result of shutdown of elements of the weapons program, mainly during the 1990s. EMowned excess nuclear material comprises a variety of material types, including uranium, plutonium, other actinides and other radioactive elements in numerous forms, all of which must be stabilized for storage and ultimate disposition. Much of this quantity has been in storage for many years. Shutdown of DOE sites and facilities requires removal of nuclear material and consolidation at other sites, and may be delayed by the lack of available technology. Within EM, the Office of Science and Technology (OST) is dedicated to providing timely, relevant technology to accelerate completion and reduce cleanup cost of the DOE environmental legacy. OST is organized around five focus areas, addressing crucial areas of end-user-defined technology need. The Focus Areas regularly identify potential technical solutions for which basic scientific research is needed to determine if the technical solution can be developed and deployed. To achieve a portfolio of projects that is balanced between near-term priorities driven by programmatic risks (such as site closure milestones) and long-term, high-consequence needs that depend on extensive research and development, OST has established the Environmental Management Science Program (EMSP) to develop the scientific basis for solutions to long-term site needs. The EMSP directs calls for proposals to address scientific needs of the focus areas. Needs are identified and validated annually by individual sites in workshops conducted across the complex. The process captures scope and schedule requirements of the sites, so that focus areas can identify technology that can be delivered to sites in time to complete site cleanup. The Nuclear Material Focus Area (NMFA) has identified over two hundred science and technology needs, of which more than thirty are science needs.

  18. Chemistry and Materials Science Directorate 2005 Annual Report

    SciTech Connect (OSTI)

    Diaz De La Rubia, T; Fluss, M J; Rath, K; Rennie, G; Shang, S; Kitrinos, G

    2006-08-08

    In 1952, we began laboratory operations in the barracks building of the Naval Air Station with approximately 50 employees. Today, the Chemistry and Materials Science (CMS) Directorate is a major organization at the Lawrence Livermore National Laboratory with more than 500 employees who continue to contribute to our evolving national security mission. For more than half a century, the mission of the Laboratory revolved primarily around nuclear deterrence and associated defense technologies. Today, Livermore supports a broad-based national security mission, and our specialized capabilities increasingly support emerging missions in human health and energy security. In the future, CMS will play a significantly expanded role in science and technology at the intersection of national security, energy and environment, and health. Our world-class workforce will provide the science and technology base for radically innovative materials to our programs and sponsors. Our 2005 Annual Report describes how our successes and breakthroughs follow a path set forward by our strategic plan and four organizing research themes, each with key scientific accomplishments by our staff and collaborators. Organized into two major sections-research themes and dynamic teams, this report focuses on achievements arising from earlier investments that address future challenges. The research presented in this annual report gives substantive examples of how we are proceeding in each of these four theme areas and how they are aligned with our national security mission. Research Themes: (1) Materials Properties and Performance under Extreme Conditions--We are developing ultrahard nanocrystalline metals, exploring the properties of nanotubes when exposed to very high temperatures, and engineering stronger materials to meet future needs for materials that can withstand extreme conditions. (2) Chemistry under Extreme Conditions and Chemical Engineering to Support National-Security Programs--Our recent discovery of a new source of coherent light adds a new tool to an array of methods we use to more fully understand the properties of materials. Insights into the early stages of polymer crystallization may lead to new materials for our national-security mission and private industry. (3) Science Supporting National Objectives at the Intersection of Chemistry, Materials Science, and Biology--We are improving drug binding for cancer treatment through the use of new tools that are helping us characterize protein-antibody interactions. By probing proteins and nucleic acids, we may gain an understanding of Alzheimer's, Mad Cow, and other neurodegenerative diseases. (4) Applied Nuclear Science for Human Health and National Security--Our work with cyanobacteria is leading to a fuller understanding of how these microorganisms affect the global carbon cycle. We are also developing new ways to reduce nuclear threats with better radiation detectors. Dynamic Teams: The dynamic teams section illustrates the directorate's organizational structure that supports a team environment across disciplinary and institutional boundaries. Our three divisions maintain a close relationship with Laboratory programs, working with directorate and program leaders to ensure an effective response to programmatic needs. CMS's divisions are responsible for line management and leadership, and together, provide us with the flexibility and agility to respond to change and meet program milestones. The three divisions are: Materials Science and Technology Division; Chemistry and Chemical Engineering Division; and Chemical Biology and Nuclear Science Division. By maintaining an organizational structure that offers an environment of collaborative problem-solving opportunities, we are able to nurture the discoveries and breakthroughs required for future successes. The dynamic teams section also presents the work of CMS's postdoctoral fellows, who bring to the Laboratory many of the most recent advances taking place in academic departments and provide a research stimulus to established research teams. Postdo

  19. Joint Hire Increases Materials Science Collaboration for Sandia, UNM

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

    Hire Increases Materials Science Collaboration for Sandia, UNM - 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 Fuel Cycle

  20. SciDAC Partnerships FOA | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    in Computational Materials and Chemical Sciences The Office of Basic Energy ... Computation Application Partnerships in the area of Materials and Chemical Sciences. ...

  1. New Computer Model Pinpoints Prime Materials for Carbon Capture

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

    New Computer Model Pinpoints Prime Materials for Carbon Capture New Computer Model Pinpoints Prime Materials for Carbon Capture July 17, 2012 NERSC Contact: Linda Vu, lvu@lbl.gov, +1 510 495 2402 UC Berkeley Contact: Robert Sanders, rsanders@berkeley.edu zeolite350.jpg One of the 50 best zeolite structures for capturing carbon dioxide. Zeolite is a porous solid made of silicon dioxide, or quartz. In the model, the red balls are oxygen, the tan balls are silicon. The blue-green area is where

  2. Berkeley Lab Opens State-of-the-Art Facility for Computational Science

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

    Opens State-of-the-Art Facility for Computational Science Berkeley Lab Opens State-of-the-Art Facility for Computational Science Wang Hall takes advantage of Lab's hillside location for advanced energy efficiency November 12, 2015 Contact: Jon Bashor, jbashor@lbl.gov, 510-486-5849 CRTpretty A new center for advancing computational science and networking at research institutions and universities across the country opened today at the Department of Energy's (DOE) Lawrence Berkeley National

  3. New classes of magnetoelectric materials promise advances in computing

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

    technology | Argonne National Laboratory classes of magnetoelectric materials promise advances in computing technology By Jared Sagoff * February 7, 2013 Tweet EmailPrint ARGONNE, Ill. - Although scientists have been aware that magnetism and electricity are two sides of the same proverbial coin for almost 150 years, researchers are still trying to find new ways to use a material's electric behavior to influence its magnetic behavior, or vice versa. Thanks to new research by an international

  4. Sandia Energy - New Project Is the ACME of Computer Science to...

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

    Project Is the ACME of Computer Science to Address Climate Change Home Climate Partnership News Global Climate & Energy News & Events Analysis Modeling Modeling & Analysis New...

  5. Department of Energy Mathematical, Information, and Computational Sciences Division: High Performance Computing and Communications Program

    SciTech Connect (OSTI)

    1996-11-01

    This document is intended to serve two purposes. Its first purpose is that of a program status report of the considerable progress that the Department of Energy (DOE) has made since 1993, the time of the last such report (DOE/ER-0536, The DOE Program in HPCC), toward achieving the goals of the High Performance Computing and Communications (HPCC) Program. The second purpose is that of a summary report of the many research programs administered by the Mathematical, Information, and Computational Sciences (MICS) Division of the Office of Energy Research under the auspices of the HPCC Program and to provide, wherever relevant, easy access to pertinent information about MICS-Division activities via universal resource locators (URLs) on the World Wide Web (WWW).

  6. Department of Energy: MICS (Mathematical Information, and Computational Sciences Division). High performance computing and communications program

    SciTech Connect (OSTI)

    1996-06-01

    This document is intended to serve two purposes. Its first purpose is that of a program status report of the considerable progress that the Department of Energy (DOE) has made since 1993, the time of the last such report (DOE/ER-0536, {open_quotes}The DOE Program in HPCC{close_quotes}), toward achieving the goals of the High Performance Computing and Communications (HPCC) Program. The second purpose is that of a summary report of the many research programs administered by the Mathematical, Information, and Computational Sciences (MICS) Division of the Office of Energy Research under the auspices of the HPCC Program and to provide, wherever relevant, easy access to pertinent information about MICS-Division activities via universal resource locators (URLs) on the World Wide Web (WWW). The information pointed to by the URL is updated frequently, and the interested reader is urged to access the WWW for the latest information.

  7. Chemistry and Materials Science Department annual report, 1988--1989

    SciTech Connect (OSTI)

    Borg, R.J.; Sugihara, T.T.; Cherniak, J.C.; Corey, C.W.

    1989-12-31

    This is the first annual report of the Chemistry & Materials Science (C&MS) Department. The principal purpose of this report is to provide a concise summary of our scientific and technical accomplishments for fiscal years 1988 and 1989. The report is also tended to become part of the archival record of the Department`s activities. We plan to publish future editions annually. The activities of the Department can be divided into three broad categories. First, C&MS staff are assigned by the matrix system to work directly in a program. These programmatic assignments typically involve short deadlines and critical time schedules. A second category is longer-term research and development in technologies important to Laboratory programs. The focus and direction of this technology-base work are generally determined by programmatic needs. Finally, the Department manages its own research program, mostly long-range in outlook and basic in orientation. These three categories are not mutually exclusive but form a continuum of technical activities. Representative examples of all three are included in this report. The principal subject matter of this report has been divided into six sections: Innovations in Analysis and Characterization, Advanced Materials, Metallurgical Science and Technology, Surfaces and Interfaces, Energetic Materials and Chemical Synthesis, and Energy-Related Research and Development.

  8. Review of the synergies between computational modeling and experimental characterization of materials across length scales

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

    Dingreville, Rémi; Karnesky, Richard A.; Puel, Guillaume; Schmitt, Jean -Hubert

    2015-11-16

    With the increasing interplay between experimental and computational approaches at multiple length scales, new research directions are emerging in materials science and computational mechanics. Such cooperative interactions find many applications in the development, characterization and design of complex material systems. This manuscript provides a broad and comprehensive overview of recent trends in which predictive modeling capabilities are developed in conjunction with experiments and advanced characterization to gain a greater insight into structure–property relationships and study various physical phenomena and mechanisms. The focus of this review is on the intersections of multiscale materials experiments and modeling relevant to the materials mechanicsmore » community. After a general discussion on the perspective from various communities, the article focuses on the latest experimental and theoretical opportunities. Emphasis is given to the role of experiments in multiscale models, including insights into how computations can be used as discovery tools for materials engineering, rather than to “simply” support experimental work. This is illustrated by examples from several application areas on structural materials. In conclusion this manuscript ends with a discussion on some problems and open scientific questions that are being explored in order to advance this relatively new field of research.« less

  9. Review of the synergies between computational modeling and experimental characterization of materials across length scales

    SciTech Connect (OSTI)

    Dingreville, Rémi; Karnesky, Richard A.; Puel, Guillaume; Schmitt, Jean -Hubert

    2015-11-16

    With the increasing interplay between experimental and computational approaches at multiple length scales, new research directions are emerging in materials science and computational mechanics. Such cooperative interactions find many applications in the development, characterization and design of complex material systems. This manuscript provides a broad and comprehensive overview of recent trends in which predictive modeling capabilities are developed in conjunction with experiments and advanced characterization to gain a greater insight into structure–property relationships and study various physical phenomena and mechanisms. The focus of this review is on the intersections of multiscale materials experiments and modeling relevant to the materials mechanics community. After a general discussion on the perspective from various communities, the article focuses on the latest experimental and theoretical opportunities. Emphasis is given to the role of experiments in multiscale models, including insights into how computations can be used as discovery tools for materials engineering, rather than to “simply” support experimental work. This is illustrated by examples from several application areas on structural materials. In conclusion this manuscript ends with a discussion on some problems and open scientific questions that are being explored in order to advance this relatively new field of research.

  10. Materials Sciences Programs. Fiscal Year 1980, Office of Basic Energy Sciences

    SciTech Connect (OSTI)

    Not Available

    1980-09-01

    This report provides a convenient compilation index of the DOE Materials Sciences Division programs. This compilation is intended for use by administrators, managers, and scientists to help coordinate research and as an aid in selecting new programs and is divided into Sections A and B, listing all the projects, Section C, a summary of funding levels, and Section D, an index (the investigator index is in two parts - laboratory and contract research).

  11. Living in a Materials World: Materials Science Engineering Professional Development for K-12 Educators

    SciTech Connect (OSTI)

    Anne Seifert; Louis Nadelson

    2011-06-01

    Advances in materials science are fundamental to technological developments and have broad societal impacs. For example, a cellular phone is composed of a polymer case, liquid crystal displays, LEDs, silicon chips, Ni-Cd batteries, resistors, capacitors, speakers, microphones all of which have required advances in materials science to be compacted into a phone which is typically smaller than a deck of cards. Like many technological developments, cellular phones have become a ubiquitous part of society, and yet most people know little about the materials science associated with their manufacture. The probable condition of constrained knowledge of materials science was the motivation for developing and offering a 20 hour fourday course called 'Living in a Materials World.' In addition, materials science provides a connection between our every day experiences and the work of scientists and engineers. The course was offered as part of a larger K-12 teacher professional development project and was a component of a week-long summer institute designed specifically for upper elementary and middle school teachers which included 20 hour content strands, and 12 hours of plenary sessions, planning, and collaborative sharing. The focus of the institute was on enhancing teacher content knowledge in STEM, their capacity for teaching using inquiry, their comfort and positive attitudes toward teaching STEM, their knowledge of how people learn, and strategies for integrating STEM throughout the curriculum. In addition to the summer institute the participating teachers were provided with a kit of about $300 worth of materials and equipment to use to implement the content they learned in their classrooms. As part of this professional development project the participants were required to design and implement 5 lesson plans with their students this fall and report on the results, as part of the continuing education course associated with the project. 'Living in a Materials World' was one of the fifteen content strands offered at the institute. The summer institute participants were pre/post tested on their comfort with STEM, their perceptions of STEM education, their pedagogical discontentment, their implementations of inquiry, their attitudes toward student learning of STEM, and their content knowledge associated with their specific content strand. The results from our research indicate a significant increase in content knowledge (t = 11.36, p < .01) for the Living in a Materials World strand participants. Overall the summer institute participants were found to have significant increases in their comfort levels for teaching STEM (t = 10.94, p < .01), in inquiry implementation (t = 5.72, p < .01) and efficacy for teaching STEM (t = 6.27, p < .01) and significant decrease in pedagogical discontentment (t = -6.26, p < .01).

  12. New Funding Opportunities | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    New New Funding Opportunities Chemical Sciences, Geosciences, & Biosciences (CSGB) ... NEW FUNDING OPPORTUNITY Computational Materials and Chemical Sciences Network (CMCSN) ...

  13. DOE Science Showcase - Computing Research | OSTI, US Dept of Energy, Office

    Office of Scientific and Technical Information (OSTI)

    of Scientific and Technical Information DOE Science Showcase - Computing Research For the growing number of problems where experiments are impossible, dangerous, or inordinately costly, exascale computing will enable the solution of vastly more accurate predictive models and the analysis of massive quantities of data, producing advances in areas of science and technology that are essential to DOE and Office of Science missions and, in the hands of the private sector, drive U.S.

  14. New DOE Office of Science support for CAMERA to develop computational

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

    mathematics for experimental facilities research New DOE Office of Science support for CAMERA to develop computational mathematics for experimental facilities research New DOE Office of Science support for CAMERA to develop computational mathematics for experimental facilities research September 22, 2015 Contact: Linda Vu, +1 510 495 2402, lvu@lbl.gov newcameralogofinal Experimental science is evolving. With the advent of new technology, scientific facilities are collecting data at

  15. Clouds, Computers, and the Coming Storms | U.S. DOE Office of Science (SC)

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

    Clouds, Computers, and the Coming Storms News News Home Featured Articles 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 Science Headlines Science Highlights Presentations & Testimony News Archives Communications and Public Affairs Contact Information Office of Science U.S. Department of Energy 1000 Independence Ave., SW Washington, DC 20585 P: (202) 586-5430 12.15.15 Clouds, Computers, and the Coming Storms Scientists uncover secrets behind hurricanes, monsoons, and polar

  16. High Performance Computing at TJNAF| U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    Performance Computing at TJNAF Nuclear Physics (NP) NP Home About Research Facilities Science Highlights Benefits of NP Applications of Nuclear Science Applications of Nuclear Science Archives Small Business Innovation Research / Small Business Technology Transfer Funding Opportunities Nuclear Science Advisory Committee (NSAC) Community Resources Contact Information Nuclear Physics U.S. Department of Energy SC-26/Germantown Building 1000 Independence Ave., SW Washington, DC 20585 P: (301)

  17. Materials Science and Materials Chemistry for Large Scale Electrochemical Energy Storage: From Transportation to Electrical Grid

    SciTech Connect (OSTI)

    Liu, Jun; Zhang, Jiguang; Yang, Zhenguo; Lemmon, John P.; Imhoff, Carl H.; Graff, Gordon L.; Li, Liyu; Hu, Jian Z.; Wang, Chong M.; Xiao, Jie; Xia, Guanguang; Viswanathan, Vilayanur V.; Baskaran, Suresh; Sprenkle, Vincent L.; Li, Xiaolin; Shao, Yuyan; Schwenzer, Birgit

    2013-02-15

    Large-scale electrical energy storage has become more important than ever for reducing fossil energy consumption in transportation and for the widespread deployment of intermittent renewable energy in electric grid. However, significant challenges exist for its applications. Here, the status and challenges are reviewed from the perspective of materials science and materials chemistry in electrochemical energy storage technologies, such as Li-ion batteries, sodium (sulfur and metal halide) batteries, Pb-acid battery, redox flow batteries, and supercapacitors. Perspectives and approaches are introduced for emerging battery designs and new chemistry combinations to reduce the cost of energy storage devices.

  18. National facility for advanced computational science: A sustainable path to scientific discovery

    SciTech Connect (OSTI)

    Simon, Horst; Kramer, William; Saphir, William; Shalf, John; Bailey, David; Oliker, Leonid; Banda, Michael; McCurdy, C. William; Hules, John; Canning, Andrew; Day, Marc; Colella, Philip; Serafini, David; Wehner, Michael; Nugent, Peter

    2004-04-02

    Lawrence Berkeley National Laboratory (Berkeley Lab) proposes to create a National Facility for Advanced Computational Science (NFACS) and to establish a new partnership between the American computer industry and a national consortium of laboratories, universities, and computing facilities. NFACS will provide leadership-class scientific computing capability to scientists and engineers nationwide, independent of their institutional affiliation or source of funding. This partnership will bring into existence a new class of computational capability in the United States that is optimal for science and will create a sustainable path towards petaflops performance.

  19. Material Science Image Analysis using Quant-CT in ImageJ

    SciTech Connect (OSTI)

    Ushizima, Daniela M.; Bianchi, Andrea G. C.; DeBianchi, Christina; Bethel, E. Wes

    2015-01-05

    We introduce a computational analysis workflow to access properties of solid objects using nondestructive imaging techniques that rely on X-ray imaging. The goal is to process and quantify structures from material science sample cross sections. The algorithms can differentiate the porous media (high density material) from the void (background, low density media) using a Boolean classifier, so that we can extract features, such as volume, surface area, granularity spectrum, porosity, among others. Our workflow, Quant-CT, leverages several algorithms from ImageJ, such as statistical region merging and 3D object counter. It also includes schemes for bilateral filtering that use a 3D kernel, for parallel processing of sub-stacks, and for handling over-segmentation using histogram similarities. The Quant-CT supports fast user interaction, providing the ability for the user to train the algorithm via subsamples to feed its core algorithms with automated parameterization. Quant-CT plugin is currently available for testing by personnel at the Advanced Light Source and Earth Sciences Divisions and Energy Frontier Research Center (EFRC), LBNL, as part of their research on porous materials. The goal is to understand the processes in fluid-rock systems for the geologic sequestration of CO2, and to develop technology for the safe storage of CO2 in deep subsurface rock formations. We describe our implementation, and demonstrate our plugin on porous material images. This paper targets end-users, with relevant information for developers to extend its current capabilities.

  20. Scaling Your Science on Mira | Argonne Leadership Computing Facility

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

    Scaling Your Science on Mira Scaling Your Science In this intensive 3-day scaling lab, ALCF and industry professionals will share the latest techniques and tools to help you scale your code to the next level. Work along side these experts to enhance your code's scalability over 12 full hours of dedicated hands-on time. Test and debug as you go with exclusive full-system reservations for this premier scaling event. Scaling Your Science on Mira is intended for experienced HPC users with near-term

  1. Reference Materials

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

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Fusion Energy Sciences August 3-4, 2010 Official DOE Invitation Workshop Invitation Letter from DOE Associate Directors [not available] NERSC Documents NERSC science requirements home page NERSC science requirements workshop page NERSC science requirements case study FAQ Workshop Agenda Previous NERSC Requirements Workshops Biological and Environmental Research (BER) Basic Energy Sciences (BES) Fusion

  2. Reference Materials

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

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for High Energy Physics November 12-13, 2009 Official DOE Invitation Workshop Invitation Letter from DOE Associate Directors NERSC Documents NERSC science requirements home page NERSC science requirements workshop page NERSC science requirements case study FAQ Workshop Agenda Previous NERSC Requirements Workshops Biological and Environmental Research (BER) Basic Energy Sciences (BES) Fusion Energy Sciences

  3. Computation of multi-material interactions using point method

    SciTech Connect (OSTI)

    Zhang, Duan Z; Ma, Xia; Giguere, Paul T

    2009-01-01

    Calculations of fluid flows are often based on Eulerian description, while calculations of solid deformations are often based on Lagrangian description of the material. When the Eulerian descriptions are used to problems of solid deformations, the state variables, such as stress and damage, need to be advected, causing significant numerical diffusion error. When Lagrangian methods are used to problems involving large solid deformat ions or fluid flows, mesh distortion and entanglement are significant sources of error, and often lead to failure of the calculation. There are significant difficulties for either method when applied to problems involving large deformation of solids. To address these difficulties, particle-in-cell (PIC) method is introduced in the 1960s. In the method Eulerian meshes stay fixed and the Lagrangian particles move through the Eulerian meshes during the material deformation. Since its introduction, many improvements to the method have been made. The work of Sulsky et al. (1995, Comput. Phys. Commun. v. 87, pp. 236) provides a mathematical foundation for an improved version, material point method (MPM) of the PIC method. The unique advantages of the MPM method have led to many attempts of applying the method to problems involving interaction of different materials, such as fluid-structure interactions. These problems are multiphase flow or multimaterial deformation problems. In these problems pressures, material densities and volume fractions are determined by satisfying the continuity constraint. However, due to the difference in the approximations between the material point method and the Eulerian method, erroneous results for pressure will be obtained if the same scheme used in Eulerian methods for multiphase flows is used to calculate the pressure. To resolve this issue, we introduce a numerical scheme that satisfies the continuity requirement to higher order of accuracy in the sense of weak solutions for the continuity equations. Numerical examples are given to demonstrate the new scheme.

  4. Mira Early Science Program | Argonne Leadership Computing Facility

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

    HPC architectures. Together, the 16 projects span a diverse range of scientific fields, numerical methods, programming models, and computational approaches. The latter include...

  5. Large Scale Computing and Storage Requirements for Fusion Energy Sciences: Target 2017

    SciTech Connect (OSTI)

    Gerber, Richard

    2014-05-02

    The National Energy Research Scientific Computing Center (NERSC) is the primary computing center for the DOE Office of Science, serving approximately 4,500 users working on some 650 projects that involve nearly 600 codes in a wide variety of scientific disciplines. In March 2013, NERSC, DOE?s Office of Advanced Scientific Computing Research (ASCR) and DOE?s Office of Fusion Energy Sciences (FES) held a review to characterize High Performance Computing (HPC) and storage requirements for FES research through 2017. This report is the result.

  6. Physics, Computer Science and Mathematics Division. Annual report, January 1-December 31, 1980

    SciTech Connect (OSTI)

    Birge, R.W.

    1981-12-01

    Research in the physics, computer science, and mathematics division is described for the year 1980. While the division's major effort remains in high energy particle physics, there is a continually growing program in computer science and applied mathematics. Experimental programs are reported in e/sup +/e/sup -/ annihilation, muon and neutrino reactions at FNAL, search for effects of a right-handed gauge boson, limits on neutrino oscillations from muon-decay neutrinos, strong interaction experiments at FNAL, strong interaction experiments at BNL, particle data center, Barrelet moment analysis of ..pi..N scattering data, astrophysics and astronomy, earth sciences, and instrument development and engineering for high energy physics. In theoretical physics research, studies included particle physics and accelerator physics. Computer science and mathematics research included analytical and numerical methods, information analysis techniques, advanced computer concepts, and environmental and epidemiological studies. (GHT)

  7. Physics, Computer Science and Mathematics Division. Annual report, 1 January-31 December 1979

    SciTech Connect (OSTI)

    Lepore, J.V.

    1980-09-01

    This annual report describes the research work carried out by the Physics, Computer Science and Mathematics Division during 1979. The major research effort of the Division remained High Energy Particle Physics with emphasis on preparing for experiments to be carried out at PEP. The largest effort in this field was for development and construction of the Time Projection Chamber, a powerful new particle detector. This work took a large fraction of the effort of the physics staff of the Division together with the equivalent of more than a hundred staff members in the Engineering Departments and shops. Research in the Computer Science and Mathematics Department of the Division (CSAM) has been rapidly expanding during the last few years. Cross fertilization of ideas and talents resulting from the diversity of effort in the Physics, Computer Science and Mathematics Division contributed to the software design for the Time Projection Chamber, made by the Computer Science and Applied Mathematics Department.

  8. DOE-EERE/NIST Joint Workshop on Combinatorial Materials Science for

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

    Applications in Energy | Department of Energy EERE/NIST Joint Workshop on Combinatorial Materials Science for Applications in Energy DOE-EERE/NIST Joint Workshop on Combinatorial Materials Science for Applications in Energy The Hydrogen Storage Subprogram of the U.S. Department of Energy co-hosted with the NIST (National Institute of Standards and Technology) Combinatorial Methods Center (NCMC) a workshop titled "High-Throughput/Combinatorial Material Science for Applications in

  9. Theoretical and Computational Physics | U.S. DOE Office of Science (SC)

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

    Theoretical and Computational Physics High Energy Physics (HEP) HEP Home About Research Science Drivers of Particle Physics Energy Frontier Intensity Frontier Cosmic Frontier Theoretical and Computational Physics Advanced Technology R&D Accelerator Stewardship Facilities Science Highlights Benefits of HEP Funding Opportunities Advisory Committees Community Resources Contact Information High Energy Physics U.S. Department of Energy SC-25/Germantown Building 1000 Independence Ave., SW

  10. Chemistry {ampersand} Materials Science progress report summary of selected research and development topics, FY97

    SciTech Connect (OSTI)

    Newkirk, L.

    1997-12-01

    This report contains summaries of research performed in the Chemistry and Materials Science division. Topics include Metals and Ceramics, High Explosives, Organic Synthesis, Instrument Development, and other topics.

  11. MaRIE: A facility for time-dependent materials science at the...

    Office of Scientific and Technical Information (OSTI)

    Research Org: Los Alamos National Laboratory (LANL) Sponsoring Org: DOELANL Country of Publication: United States Language: English Subject: Materials Science(36); Nuclear Physics ...

  12. Rajendran, N. 36 MATERIALS SCIENCE; 20 FOSSIL-FUELED POWER PLANTS...

    Office of Scientific and Technical Information (OSTI)

    ACI Committee 229 Rajendran, N. 36 MATERIALS SCIENCE; 20 FOSSIL-FUELED POWER PLANTS; 01 COAL, LIGNITE, AND PEAT; FLY ASH; WASTE PRODUCT UTILIZATION; BACKFILLING; THERMAL...

  13. Energy Materials and Processes, An EMSL Science Theme Advisory Panel Workshop

    SciTech Connect (OSTI)

    Burk, Linda H.

    2014-12-16

    The report summarizes discussions at the Energy Materials and Process EMSL Science Theme Advisory Panel Workshop held July 7-8, 2014.

  14. Computational simulation of materials notes for lectures given at UCSB, May 1996--June 1996

    SciTech Connect (OSTI)

    LeSar, R.

    1997-01-01

    This report presents information from a lecture given on the computational simulation of materials. The purpose is to introduce modern computerized simulation methods for materials properties and response.

  15. Reference Materials

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

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Basic Energy Sciences February 9-10, 2010 Official DOE Invitation Workshop Invitation Letter from DOE Associate Directors Last edited: 2016-04-29 11:35:05

  16. Postdoctoral Research Fellow Center for Nanophase Materials Sciences

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

    & transport properties of the materials, which in turn can be used to engineer better solid electrolyte materials 2. Automation & Data Analytics * Designing a new material for...

  17. Computing | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    Print Text Size: A A A FeedbackShare Page Computing: the World Wide Web CERN scientist Tim Berners-Lee developed the World Wide Web to give particle physicists a tool to ...

  18. Future Computing Platforms for Science in a Power Constrained Era

    SciTech Connect (OSTI)

    Abdurachmanov, David; Elmer, Peter; Eulisse, Giulio; Knight, Robert

    2015-12-23

    Power consumption will be a key constraint on the future growth of Distributed High Throughput Computing (DHTC) as used by High Energy Physics (HEP). This makes performance-per-watt a crucial metric for selecting cost-efficient computing solutions. For this paper, we have done a wide survey of current and emerging architectures becoming available on the market including x86-64 variants, ARMv7 32-bit, ARMv8 64-bit, Many-Core and GPU solutions, as well as newer System-on-Chip (SoC) solutions. We compare performance and energy efficiency using an evolving set of standardized HEP-related benchmarks and power measurement techniques we have been developing. We evaluate the potential for use of such computing solutions in the context of DHTC systems, such as the Worldwide LHC Computing Grid (WLCG).

  19. Computing

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

    Office of Advanced Scientific Computing Research in the Department of Energy Office of Science under contract number DE-AC02-05CH11231. Application and System Memory Use, ...

  20. CRC materials science and engineering handbook. Third edition

    SciTech Connect (OSTI)

    Shackelford, J.F.; Alexander, W.

    1999-01-01

    This definitive reference is organized in an easy-to-follow format based on materials properties. It features new and existing data verified through major professional societies in the materials fields, such as ASM International and the American Ceramic Society. The third edition has been significantly expanded, most notably by the addition of new tabular material for a wide range of nonferrous alloys and various materials. The contents include: Structure of materials; Composition of materials; Phase diagram sources; Thermodynamic and kinetic data; Thermal properties of materials; Mechanical properties of materials; Electrical properties of materials; Optical properties of materials; Chemical properties of materials.

  1. Perspective: Codesign for materials science: An optimal learning...

    Office of Scientific and Technical Information (OSTI)

    science: An optimal learning approach Authors: ... OSTI Identifier: 1246183 Type: Published Article Journal ... Country of Publication: United States Language: English Word ...

  2. Center for Nanophase Materials Sciences (CNMS) - CNMS User Research

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

    di Fisica "A. Volta", Universita degli Studi di Pavia, via Bassi 6, 27100 Pavia, Italy Department of Physics and Institute for Optical Sciences, University of Toronto, 60 St. ...

  3. Center for Nanophase Materials Sciences (CNMS) - CNMS Research

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

    di Fisica "A. Volta", Universita degli Studi di Pavia, via Bassi 6, 27100 Pavia, Italy Department of Physics and Institute for Optical Sciences, University of Toronto, 60 St. ...

  4. Center for Nanophase Materials Sciences (CNMS) - CNMS Research

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

    Oak Ridge, TN 37831 2-University of Heidelberg, Heidelberg, Germany 3-National Academy of Science of Ukraine, Kiev, Ukraine Achievement Here we report direct measurements of oxygen...

  5. Physics, Computer Science and Mathematics Division annual report, 1 January-31 December 1983

    SciTech Connect (OSTI)

    Jackson, J.D.

    1984-08-01

    This report summarizes the research performed in the Physics, Computer Science and Mathematics Division of the Lawrence Berkeley Laboratory during calendar year 1983. The major activity of the Division is research in high-energy physics, both experimental and theoretical, and research and development in associated technologies. A smaller, but still significant, program is in computer science and applied mathematics. During 1983 there were approximately 160 people in the Division active in or supporting high-energy physics research, including about 40 graduate students. In computer science and mathematics, the total staff, including students and faculty, was roughly 50. Because of the creation in late 1983 of a Computing Division at LBL and the transfer of the Computer Science activities to the new Division, this annual report is the last from the Physics, Computer Science and Mathematics Division. In December 1983 the Division reverted to its historic name, the Physics Division. Its future annual reports will document high energy physics activities and also those of its Mathematics Department.

  6. Office of Science

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

    Office of Science /science-innovation/_assets/images/icon-science.jpg Office of Science Enabling remarkable discoveries and tools that transform our understanding of energy and matter and advance national, economic, and energy security. Advanced Scientific Computing Research» Basic Energy Sciences» Biological and Environmental Research» Fusion Energy Sciences» High Energy Physics» Nuclear Physics» Fusion Energy Science Research LANL fusion materials researchers use Titan supercomputer to

  7. Science Facilities

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

    Facilities /science-innovation/_assets/images/icon-science.jpg Science Facilities The focal point for basic and applied R&D programs with a primary focus on energy but also encompassing medical, biotechnology, high-energy physics, and advanced scientific computing programs. Center for Integrated Nanotechnologies» Dual Axis Radiographic Hydrodynamic Test Facility (DARHT)» Electron Microscopy Lab» Ion Beam Materials Lab» Isotope Production Facility» Los Alamos Neutron Science Center»

  8. Bennett, J. 36 MATERIALS SCIENCE; 99 GENERAL AND MISCELLANEOUS...

    Office of Scientific and Technical Information (OSTI)

    METHOD; MATHEMATICAL MODELS; CARBON; COMPUTER CODES; ELEMENTAL MINERALS; ELEMENTS; MECHANICAL PROPERTIES; MINERALS; NONMETALS; NUMERICAL SOLUTION 360203* -- Ceramics, Cermets, &...

  9. Properties of energetic materials: United States Department of Energy (DOE) Accelerated Strategic Computing Initiative (ASCI) strategic alliances

    SciTech Connect (OSTI)

    Adams, T.F.

    1997-01-01

    The Accelerated Strategic Computing Initiative (ASCI) program is designed to provide the computational resources which are required to provide a simulation based approach to the Science Based Stockpile Stewardship (SBSS) program. The capability to predict the properties of energetic materials is one of the areas of interest to the US Department of Energy`s (DOE) ASCI program. This capability will support computational assessments of the safety and reliability of systems containing explosives and other energetic materials subjected to normal and abnormal environments. Several research elements related to energetic material properties are described in more detail below. They are: (A) calculation of decomposition rates, (B) molecular potential functions, (C) physical properties and transport coefficients, (D) molecular energization mechanisms, (E) fracture/failure of energetic material crystals, (F) grain-grain and grain- binder interactions, and (G) aging effects in energetic material. These elements have in common the need to develop computational methods that have a strong foundation in basic physical principles. They will generally have to be implemented to run efficiently on advanced parallel computing platforms to achieve sufficient accuracy.

  10. Computing at the leading edge: Research in the energy sciences

    SciTech Connect (OSTI)

    Mirin, A.A.; Van Dyke, P.T.

    1994-02-01

    The purpose of this publication is to highlight selected scientific challenges that have been undertaken by the DOE Energy Research community. The high quality of the research reflected in these contributions underscores the growing importance both to the Grand Challenge scientific efforts sponsored by DOE and of the related supporting technologies that the National Energy Research Supercomputer Center (NERSC) and other facilities are able to provide. The continued improvement of the computing resources available to DOE scientists is prerequisite to ensuring their future progress in solving the Grand Challenges. Titles of articles included in this publication include: the numerical tokamak project; static and animated molecular views of a tumorigenic chemical bound to DNA; toward a high-performance climate systems model; modeling molecular processes in the environment; lattice Boltzmann models for flow in porous media; parallel algorithms for modeling superconductors; parallel computing at the Superconducting Super Collider Laboratory; the advanced combustion modeling environment; adaptive methodologies for computational fluid dynamics; lattice simulations of quantum chromodynamics; simulating high-intensity charged-particle beams for the design of high-power accelerators; electronic structure and phase stability of random alloys.

  11. Center for Nanophase Materials Sciences (CNMS) - CNMS User Research

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

    S. Allen, James M. McCollum, John R. Wilgus, Gary S. Sayler, and Chris D. Cox. Co-author Roy D. Dar was a DOE Science Undergraduate Laboratory Intern student working with...

  12. Supporting Advanced Scientific Computing Research * Basic Energy Sciences * Biological

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

    Energy S ciences N etwork Enabling Virtual Science June 9, 2009 Steve C o/er steve@es.net Dept. H ead, E nergy S ciences N etwork Lawrence B erkeley N aDonal L ab The E nergy S ciences N etwork The D epartment o f E nergy's O ffice o f S cience i s o ne o f t he l argest s upporters o f basic r esearch i n t he p hysical s ciences i n t he U .S. * Directly s upports t he r esearch o f s ome 1 5,000 s cienDsts, p ostdocs a nd g raduate s tudents at D OE l aboratories, u niversiDes, o ther F

  13. Center for Nanophase Materials Sciences (CNMS) - Electronic and...

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

    of modern computational tools, paving the way for knowledge-driven design and optimization of these systems. The encompassing goal of this theme is to understand the...

  14. Panel 3 - material science (Conference) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    challenge has evolved, and the role of simulation and computation has grown dramatically. ... by large-scale simulations, appropriately validated with fundamental experimental data. ...

  15. Science

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

    Office of Science Office of Science * * * Office of Science Office of * * * * * Office of Science Office of Science * * * Office of Science * * * * 287 115 ...

  16. New Materials Family on the Block | U.S. DOE Office of Science (SC)

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

    New Materials Family on the Block Basic Energy Sciences (BES) BES Home About Research Facilities Science Highlights Benefits of BES Funding Opportunities Basic Energy Sciences Advisory Committee (BESAC) Community Resources Contact Information Basic Energy Sciences U.S. Department of Energy SC-22/Germantown Building 1000 Independence Ave., SW Washington, DC 20585 P: (301) 903-3081 F: (301) 903-6594 E: Email Us More Information » 12.14.15 New Materials Family on the Block A family of single-phase

  17. Large Scale Computing and Storage Requirements for Basic Energy Sciences Research

    SciTech Connect (OSTI)

    Gerber, Richard; Wasserman, Harvey

    2011-03-31

    The National Energy Research Scientific Computing Center (NERSC) is the leading scientific computing facility supporting research within the Department of Energy's Office of Science. NERSC provides high-performance computing (HPC) resources to approximately 4,000 researchers working on about 400 projects. In addition to hosting large-scale computing facilities, NERSC provides the support and expertise scientists need to effectively and efficiently use HPC systems. In February 2010, NERSC, DOE's Office of Advanced Scientific Computing Research (ASCR) and DOE's Office of Basic Energy Sciences (BES) held a workshop to characterize HPC requirements for BES research through 2013. The workshop was part of NERSC's legacy of anticipating users future needs and deploying the necessary resources to meet these demands. Workshop participants reached a consensus on several key findings, in addition to achieving the workshop's goal of collecting and characterizing computing requirements. The key requirements for scientists conducting research in BES are: (1) Larger allocations of computational resources; (2) Continued support for standard application software packages; (3) Adequate job turnaround time and throughput; and (4) Guidance and support for using future computer architectures. This report expands upon these key points and presents others. Several 'case studies' are included as significant representative samples of the needs of science teams within BES. Research teams scientific goals, computational methods of solution, current and 2013 computing requirements, and special software and support needs are summarized in these case studies. Also included are researchers strategies for computing in the highly parallel, 'multi-core' environment that is expected to dominate HPC architectures over the next few years. NERSC has strategic plans and initiatives already underway that address key workshop findings. This report includes a brief summary of those relevant to issues raised by researchers at the workshop.

  18. Division of Materials Sciences and Engineering | The Ames Laboratory

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

    ... crystal structure prediction and phase exploration, breakthrough tools for quantifiable ... Highlights Research Projects Personnel Electron Beam Microscopy (EBEAM) Materials ...

  19. Ames Laboratory a partner in DOE Center for Computational Materials...

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

    materials, as well as a companion database to predict targeted properties with energy-related application to thermoelectric materials. READ MORE at Brookhaven National Laboratory....

  20. Materials Science of Actinides (MSA) | U.S. DOE Office of Science...

    Office of Science (SC) Website

    X-ray diffraction and scattering, X-ray imaging, X-ray spectroscopy, electron microscopy, scanning probe microscopy, surface science, neutron diffraction and scattering, laser ...

  1. Center for Nanophase Materials Sciences (CNMS) - >ES&H

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

    ... All Users performing work at CNMS are required to wear an ORNL distributed badgeID in a readily visible location above the waist at all times. All CNMS computers on the ORNL ...

  2. USSR report: Materials science and metallurgy, [November 7, 1986

    SciTech Connect (OSTI)

    1986-11-07

    Partial contents include: Analysis and Testing, Coatings, Corrosion, Ferrous Metals, Nonferrous Metals and Alloys ;Brazes and Solders, Nonmetallic Materials, Preparation, Treatments, Welding, Brazing and Soldering.

  3. CMI Course Inventory: Metallurgical Engineering/Materials Science...

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

    to rare earths and critical materials. Other courses are available in these areas: Geology EngineeringGeochemistry Mining Engineering Chemistry Engineering Mineral...

  4. Center for Nanophase Materials Sciences (CNMS) - 2012 CNMS User...

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

    on 911) Transmission Electron Microscopy for Soft Materials September 12-13, 2012 Second Photovoltaics School (Photovoltaics from Fundamentals to Applications) September 13, 2012...

  5. Center for Nanophase Materials Sciences (CNMS) - CNMS Research

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

    a diverse collection of leading journals, such as Nano Letters, Advanced Materials, and ACS Nano. They have also built capabilities for nanofiber synthesis and characterization at...

  6. Energy Frontier Research Center, Center for Materials Science of Nuclear Fuels

    SciTech Connect (OSTI)

    Todd R. Allen

    2011-12-01

    This is a document required by Basic Energy Sciences as part of a mid-term review, in the third year of the five-year award period and is intended to provide a critical assessment of the Center for Materials Science of Nuclear Fuels (strategic vision, scientific plans and progress, and technical accomplishments).

  7. Achieving Transformational Materials Performance in a New Era of Science

    ScienceCinema (OSTI)

    John Sarrao

    2010-01-08

    The inability of current materials to meet performance requirements is a key stumbling block for addressing grand challenges in energy and national security. Fortunately, materials research is on the brink of a new era - a transition from observation and validation of materials properties to prediction and control of materials performance. In this talk, I describe the nature of the current challenge, the prospects for success, and a specific facility concept, MaRIE, that will provide the needed capabilities to meet these challenges, especially for materials in extreme environments. MaRIE, for Matter-Radiation Interactions in Extremes, is Los Alamos' concept to realize this vision of 21st century materials research. This vision will be realized through enhancements to the current LANSCE accelerator, development of a fourth-generation x-ray light source co-located with the proton accelerator, and a comprehensive synthesis and characterization facility focused on controlling complex materials and the defect/structure link to materials performance.

  8. Advanced Process Technology: Combi Materials Science and Atmospheric Processing (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2011-06-01

    Capabilities fact sheet for the National Center for Photovoltaics: Process Technology and Advanced Concepts -- High-Throughput Combi Material Science and Atmospheric Processing that includes scope, core competencies and capabilities, and contact/web information.

  9. UNCLASSIFIED Institute for Materials Science Distinguished Lecture Series

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

    Gabriel Aeppli Head of the Synchrotron and Nanotechnology Department Paul Scherrer Institute, Switzerland Accelerator-based Light Sources for the Future Wednesday, August 12, 2015 2:00 to 3:00pm MSL Auditorium (TA-03, Bldg. 1698, Room A103) Abstract: We review current and future accelerator-based light sources and their applications to science, medicine and engineering. Particular attention is given to competing technologies such as electron microscopies. Bio: Gabriel Aeppli is professor of

  10. UNCLASSIFIED Institute for Materials Science Distinguished Lecture Series

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

    Dr. Joël Mesot Director, Paul Scherrer Institute, Switzerland Probing Excitations in Strongly Correlated Electron Systems: Recent Highlights Obtained at the Large-Scale Facilities of the Paul Scherrer Institute Thursday, June 11, 2015 2 - 3 PM TA-03, Bldg. 1698, Room A103 (MSL Auditorium) Abstract: The Paul Scherrer Institute, PSI, is the largest research center for natural and engineering sciences within Switzerland. One of its main missions is to conceive, realize and run so-called

  11. Scientific Grand Challenges: Forefront Questions in Nuclear Science and the Role of High Performance Computing

    SciTech Connect (OSTI)

    Khaleel, Mohammad A.

    2009-10-01

    This report is an account of the deliberations and conclusions of the workshop on "Forefront Questions in Nuclear Science and the Role of High Performance Computing" held January 26-28, 2009, co-sponsored by the U.S. Department of Energy (DOE) Office of Nuclear Physics (ONP) and the DOE Office of Advanced Scientific Computing (ASCR). Representatives from the national and international nuclear physics communities, as well as from the high performance computing community, participated. The purpose of this workshop was to 1) identify forefront scientific challenges in nuclear physics and then determine which-if any-of these could be aided by high performance computing at the extreme scale; 2) establish how and why new high performance computing capabilities could address issues at the frontiers of nuclear science; 3) provide nuclear physicists the opportunity to influence the development of high performance computing; and 4) provide the nuclear physics community with plans for development of future high performance computing capability by DOE ASCR.

  12. Center for Nanophase Materials Sciences (CNMS) - CNMS Research

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

    in multiferroic BiFeO3, only 2-3 nm wide and distinct from the surrounding insulating material.1 Conductivity was completely unexpected since domain walls present only a subtle...

  13. Center for Nanophase Materials Sciences - Summer Newsletter 2010

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

    were recently purchased with American Recovery and Reinvestment Act funds, including new SEM and TEMSTEM capabilities for soft materials, small-angle x-ray scattering, and in the...

  14. Center for Nanophase Materials Sciences (CNMS) - CNMS User Research

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

    Rouleau,3 Karren L. More,5 G. Tayhas R. Palmore,2 and Robert H. Hurt2 1-Dept Chemistry, Brown University 2-School of Engineering, Brown University 3-Center for Nanophase Materials...

  15. Center for Nanophase Materials Sciences (CNMS) - CNMS User Research

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

    Achievement: The material of choice for spintronics device today is FeMgOFe tunnel ... by modi?cation of the interface is an important topic in spintronics research. ...

  16. Center for Nanophase Materials Sciences (CNMS) - CNMS User Research

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

    H. Weitering, Nature Materials 7, 539 (2008). The research was sponsored by the National Human Genome Research Institute, National Institutes of Health Grant R01HG002647 (CZ), NSF...

  17. High-Throughput Experimental Approach Capabilities | Materials Science |

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

    NREL High-Throughput Experimental Approach Capabilities An image of a triangular diagram with cobalt oxide at the top vertex, zinc oxide at the lower left vertex, and nickel oxide at the lower right vertex. Colored section in upper half indicates conductivity of materials at constant oxygen partial pressure and temperature. Highest conductivity is represented by yellow and is for materials in the upper right sector. NREL's high-throughput experimental approach is based on the extensive set

  18. Chemistry and Materials Science, 1990--1991. [Second annual report

    SciTech Connect (OSTI)

    Sugihara, T.T.; Bruner, J.M.; McElroy, L.A.

    1991-12-31

    This 2-year (FY 1990-91) contains 49 technical articles in ten sections: research sampler, metals and alloys, energetic materials, chemistry and physics of advanced materials, bonding and reactions at surfaces and interfaces, superconductivity, energy R and D, waste processing and management, characterization and analysis, and facilities and instrumentation. Two more sections list department personnel, their publications etc., consultants, and summary of department budgets. The articles are processed separately for the data base. (DLC)

  19. Molecular Science

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

    Molecular Science NETL's Molecular Science competency provides technology-enabling computational and experimental insight into the atomic-level processes occurring in condensed matter and gas phase systems or at the heterogeneous surface-gas interfaces used for energy applications. Research includes molecular optimization as well as both classical and high-throughput material design, specifically: Molecular Optimization Development and application of new computational approaches in the general

  20. From Human Genome to Materials "Genome" | U.S. DOE Office of Science

    Office of Science (SC) Website

    (SC) From Human Genome to Materials "Genome" News News Home Featured Articles 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 Science Headlines Science Highlights Presentations & Testimony News Archives Communications and Public Affairs Contact Information Office of Science U.S. Department of Energy 1000 Independence Ave., SW Washington, DC 20585 P: (202) 586-5430 07.09.14 From Human Genome to Materials "Genome" Government initiative seeks to speed the

  1. Computational Modeling of Heterogeneous Reactive Materials at the Mesoscale

    SciTech Connect (OSTI)

    BAER, MARVIN R.

    1999-09-22

    The mesoscopic processes of consolidation, deformation and reaction of shocked porous energetic materials are studied using shock physics analysis of impact on a collection of discrete ''crystals.'' Highly resolved three-dimensional CTH simulations indicate that rapid deformation occurs at material contact points causing large amplitude fluctuations of stress states with wavelengths of the order of several particle diameters. Localization of energy produces ''hot-spots'' due to shock focusing and plastic work near internal boundaries as material flows into interstitial regions. Numerical experiments indicate that ''hot-spots'' are strongly influenced by multiple crystal interactions. Chemical reaction processes also produce multiple wave structures associated with particle distribution effects. This study provides new insights into the micromechanical behavior of heterogeneous energetic materials strongly suggesting that initiation and sustained reaction of shocked heterogeneous materials involves states distinctly different from single jump state descriptions.

  2. Ethnic Diversity in Materials Science and Engineering. A report on the workshop on ethnic diversity in materials science and engineering.

    SciTech Connect (OSTI)

    Schwartz, Justin

    2014-06-30

    The immediate goal of the workshop was to elevate and identify issues and challenges that have impeded participation of diverse individuals in MSE. The longerterm goals are to continue forward by gathering and disseminating data, launching and tracking initiatives to mitigate the impediments, and increase the number of diverse individuals pursuing degrees and careers in MSE. The larger goal, however, is to create over time an ever-increasing number of role models in science fields who will, in turn, draw others in to contribute to the workforce of the future.

  3. Solar Energy Educational Material, Activities and Science Projects

    Office of Scientific and Technical Information (OSTI)

    Solar Energy Educational Materials Solar with glasses "The sun has produced energy for billions of years. Solar energy is the solar radiation that reaches the earth. Solar energy can be converted directly or indirectly into other forms of energy, such as heat and electricity. ... [It can be] used for heating water for domestic use, space heating of buildings, drying agricultural products, and generating electrical energy." - Edited excerpt from Solar Energy - Energy from the Sun DOE

  4. The High Energy Materials Science Beamline (HEMS) at PETRA III

    SciTech Connect (OSTI)

    Schell, Norbert; King, Andrew; Beckmann, Felix; Ruhnau, Hans-Ulrich; Kirchhof, Rene; Kiehn, Ruediger; Mueller, Martin; Schreyer, Andreas

    2010-06-23

    The HEMS Beamline at the German high-brilliance synchrotron radiation storage ring PETRA III is fully tunable between 30 and 250 keV and optimized for sub-micrometer focusing. Approximately 70 % of the beamtime will be dedicated to Materials Research. Fundamental research will encompass metallurgy, physics and chemistry with first experiments planned for the investigation of the relationship between macroscopic and micro-structural properties of polycrystalline materials, grain-grain-interactions, and the development of smart materials or processes. For this purpose a 3D-microsctructure-mapper has been designed. Applied research for manufacturing process optimization will benefit from high flux in combination with ultra-fast detector systems allowing complex and highly dynamic in-situ studies of micro-structural transformations, e.g. during welding processes. The beamline infrastructure allows accommodation of large and heavy user provided equipment. Experiments targeting the industrial user community will be based on well established techniques with standardized evaluation, allowing full service measurements, e.g. for tomography and texture determination. The beamline consists of a five meter in-vacuum undulator, a general optics hutch, an in-house test facility and three independent experimental hutches working alternately, plus additional set-up and storage space for long-term experiments. HEMS is under commissioning as one of the first beamlines running at PETRA III.

  5. Pu-bearing materials - from fundamental science to storage standards.

    SciTech Connect (OSTI)

    Tam, S. W.; Liu, Y.; Decision and Information Sciences; Michigan Technical Univ.

    2008-01-01

    The behavior of plutonium (Pu) oxides in the presence of water/moisture in a confined space and the associated issues of hydrogen and oxygen generation due to radiolysis have important implications for the storage and transportation of Pu-bearing materials. This paper reviews the results of recent studies of gas generation in the Pu-O-H system, including the determination of release rates via engineering-scale measurement. The observations of the significant differences in gas generation behavior between 'pure' Pu-bearing materials and those that contain salt impurities are addressed. In conjunction with the discussion of these empirical observations, the work also addresses recent scientific advances in the investigations of the Pu-O-H system using state-of-the-art ab initio electronic structure calculations, as well as advanced synchrotron techniques to determine the electronic structure of the various Pu-containing phases. The role of oxidizing species such as the hydroxyl radical from the radiolysis of water is examined. Discussed also is the challenge in the predictive ab-initio calculations of the electronic structure of the Pu-H-O system, due to the nature of the 5f valence electrons in Pu. Coupled with the continuing material surveillance program, it is anticipated that this work may help determine the electronic structure of the various Pu-containing phases and the role of impurity salts on gas generation and the long-term stability of oxygen/hydrogen-containing plutonium oxides beyond PuO{sub 2}.

  6. Optimization Using Metamodeling in the Context of Integrated Computational Materials Engineering (ICME)

    SciTech Connect (OSTI)

    Hammi, Youssef; Horstemeyer, Mark F; Wang, Paul; David, Francis; Carino, Ricolindo

    2013-11-18

    Predictive Design Technologies, LLC (PDT) proposed to employ Integrated Computational Materials Engineering (ICME) tools to help the manufacturing industry in the United States regain the competitive advantage in the global economy. ICME uses computational materials science tools within a holistic system in order to accelerate materials development, improve design optimization, and unify design and manufacturing. With the advent of accurate modeling and simulation along with significant increases in high performance computing (HPC) power, virtual design and manufacturing using ICME tools provide the means to reduce product development time and cost by alleviating costly trial-and-error physical design iterations while improving overall quality and manufacturing efficiency. To reduce the computational cost necessary for the large-scale HPC simulations and to make the methodology accessible for small and medium-sized manufacturers (SMMs), metamodels are employed. Metamodels are approximate models (functional relationships between input and output variables) that can reduce the simulation times by one to two orders of magnitude. In Phase I, PDT, partnered with Mississippi State University (MSU), demonstrated the feasibility of the proposed methodology by employing MSU?s internal state variable (ISV) plasticity-damage model with the help of metamodels to optimize the microstructure-process-property-cost for tube manufacturing processes used by Plymouth Tube Company (PTC), which involves complicated temperature and mechanical loading histories. PDT quantified the microstructure-property relationships for PTC?s SAE J525 electric resistance-welded cold drawn low carbon hydraulic 1010 steel tube manufacturing processes at seven different material states and calibrated the ISV plasticity material parameters to fit experimental tensile stress-strain curves. PDT successfully performed large scale finite element (FE) simulations in an HPC environment using the ISV plasticity model in Abaqus FE analyses of the tube forming, sizing, drawing, welding, and normalizing processes. The simulation results coupled with the manufacturing cost data were used to develop prototype metamodeling (quick response) codes which could be used to predict and optimize the microstructure-process-property-cost relationships. The developed ICME metamodeling toolkits are flexible enough to be applied to other manufacturing processes (e.g. forging, forming, casting, extrusion, rolling, stamping, and welding/joining) and metamodeling codes can run on laptop computers. Based on the work completed in Phase I, in Phase II, PDT proposes to continue to refine the ISV model by correlating and incorporating the uncertainties in the microstructure, mechanical testing, and modeling. Following the model refinement, FE analyses will be simulated and will provide even more realistic predictions as they include an appropriate window of uncertainty. Using the HPC output (FE analyses) as input, the quick-response metamodel codes will more accurately predict and optimize the microstructure-process-property-cost relationships. Furthermore, PDT propose to employ the ICME metamodeling toolkits to help develop a new tube product using entirely new high strength steel. The modeling of the high strength steel manufacturing process will replace the costly and time consuming trial-and-error methods that were used in the tubing industry previously. This simulation-based process prototyping will greatly benefit our industrial partners by opening up new market spaces due to new products with greater capabilities.

  7. Simulations for Complex Fluid Flow Problems from Berkeley Lab's Center for Computational Sciences and Engineering (CCSE)

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    The Center for Computational Sciences and Engineering (CCSE) develops and applies advanced computational methodologies to solve large-scale scientific and engineering problems arising in the Department of Energy (DOE) mission areas involving energy, environmental, and industrial technology. The primary focus is in the application of structured-grid finite difference methods on adaptive grid hierarchies for compressible, incompressible, and low Mach number flows. The diverse range of scientific applications that drive the research typically involve a large range of spatial and temporal scales (e.g. turbulent reacting flows) and require the use of extremely large computing hardware, such as the 153,000-core computer, Hopper, at NERSC. The CCSE approach to these problems centers on the development and application of advanced algorithms that exploit known separations in scale; for many of the application areas this results in algorithms are several orders of magnitude more efficient than traditional simulation approaches.

  8. Finding the next new tech material: the computational hunt for the weird

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

    and unusual | The Ames Laboratory Finding the next new tech material: the computational hunt for the weird and unusual Scientists at U.S. Department of Energy's Ames Laboratory are turning to the world of computation to guide their search for the next new material. Their program uses software code developed to map and predict the distinct structural, electronic, magnetic stable and metastable features that are often the source of an advanced material's unique capabilities. "It's the

  9. Advanced Artificial Science. The development of an artificial science and engineering research infrastructure to facilitate innovative computational modeling, analysis, and application to interdisciplinary areas of scientific investigation.

    SciTech Connect (OSTI)

    Saffer, Shelley I.

    2014-12-01

    This is a final report of the DOE award DE-SC0001132, Advanced Artificial Science. The development of an artificial science and engineering research infrastructure to facilitate innovative computational modeling, analysis, and application to interdisciplinary areas of scientific investigation. This document describes the achievements of the goals, and resulting research made possible by this award.

  10. Probing the structure of complex solids using a distributed computing approach-Applications in zeolite science

    SciTech Connect (OSTI)

    French, Samuel A.; Coates, Rosie; Lewis, Dewi W.; Catlow, C. Richard A.

    2011-06-15

    We demonstrate the viability of distributed computing techniques employing idle desktop computers in investigating complex structural problems in solids. Through the use of a combined Monte Carlo and energy minimisation method, we show how a large parameter space can be effectively scanned. By controlling the generation and running of different configurations through a database engine, we are able to not only analyse the data 'on the fly' but also direct the running of jobs and the algorithms for generating further structures. As an exemplar case, we probe the distribution of Al and extra-framework cations in the structure of the zeolite Mordenite. We compare our computed unit cells with experiment and find that whilst there is excellent correlation between computed and experimentally derived unit cell volumes, cation positioning and short-range Al ordering (i.e. near neighbour environment), there remains some discrepancy in the distribution of Al throughout the framework. We also show that stability-structure correlations only become apparent once a sufficiently large sample is used. - Graphical Abstract: Aluminium distributions in zeolites are determined using e-science methods. Highlights: > Use of e-science methods to search configurationally space. > Automated control of space searching. > Identify key structural features conveying stability. > Improved correlation of computed structures with experimental data.

  11. Physics, computer science and mathematics division. Annual report, 1 January - 31 December 1982

    SciTech Connect (OSTI)

    Jackson, J.D.

    1983-08-01

    Experimental physics research activities are described under the following headings: research on e/sup +/e/sup -/ annihilation; research at Fermilab; search for effects of a right-handed gauge boson; the particle data center; high energy astrophysics and interdisciplinary experiments; detector and other research and development; publications and reports of other research; computation and communication; and engineering, evaluation, and support operations. Theoretical particle physics research and heavy ion fusion research are described. Also, activities of the Computer Science and Mathematics Department are summarized. Publications are listed. (WHK)

  12. Community Petascale Project for Accelerator Science and Simulation: Advancing Computational Science for Future Accelerators and Accelerator Technologies

    SciTech Connect (OSTI)

    Spentzouris, P.; /Fermilab; Cary, J.; /Tech-X, Boulder; McInnes, L.C.; /Argonne; Mori, W.; /UCLA; Ng, C.; /SLAC; Ng, E.; Ryne, R.; /LBL, Berkeley

    2011-11-14

    The design and performance optimization of particle accelerators are essential for the success of the DOE scientific program in the next decade. Particle accelerators are very complex systems whose accurate description involves a large number of degrees of freedom and requires the inclusion of many physics processes. Building on the success of the SciDAC-1 Accelerator Science and Technology project, the SciDAC-2 Community Petascale Project for Accelerator Science and Simulation (ComPASS) is developing a comprehensive set of interoperable components for beam dynamics, electromagnetics, electron cooling, and laser/plasma acceleration modelling. ComPASS is providing accelerator scientists the tools required to enable the necessary accelerator simulation paradigm shift from high-fidelity single physics process modeling (covered under SciDAC1) to high-fidelity multiphysics modeling. Our computational frameworks have been used to model the behavior of a large number of accelerators and accelerator R&D experiments, assisting both their design and performance optimization. As parallel computational applications, the ComPASS codes have been shown to make effective use of thousands of processors. ComPASS is in the first year of executing its plan to develop the next-generation HPC accelerator modeling tools. ComPASS aims to develop an integrated simulation environment that will utilize existing and new accelerator physics modules with petascale capabilities, by employing modern computing and solver technologies. The ComPASS vision is to deliver to accelerator scientists a virtual accelerator and virtual prototyping modeling environment, with the necessary multiphysics, multiscale capabilities. The plan for this development includes delivering accelerator modeling applications appropriate for each stage of the ComPASS software evolution. Such applications are already being used to address challenging problems in accelerator design and optimization. The ComPASS organization for software development and applications accounts for the natural domain areas (beam dynamics, electromagnetics, and advanced acceleration), and all areas depend on the enabling technologies activities, such as solvers and component technology, to deliver the desired performance and integrated simulation environment. The ComPASS applications focus on computationally challenging problems important for design or performance optimization to all major HEP, NP, and BES accelerator facilities. With the cost and complexity of particle accelerators rising, the use of computation to optimize their designs and find improved operating regimes becomes essential, potentially leading to significant cost savings with modest investment.

  13. Serial snapshot crystallography for materials science with SwissFEL

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

    Dejoie, Catherine; Smeets, Stef; Baerlocher, Christian; Tamura, Nobumichi; Pattison, Philip; Abela, Rafael; McCusker, Lynne B.

    2015-04-21

    New opportunities for studying (sub)microcrystalline materials with small unit cells, both organic and inorganic, will open up when the X-ray free electron laser (XFEL) presently being constructed in Switzerland (SwissFEL) comes online in 2017. Our synchrotron-based experiments mimicking the 4%-energy-bandpass mode of the SwissFEL beam show that it will be possible to record a diffraction pattern of up to 10 randomly oriented crystals in a single snapshot, to index the resulting reflections, and to extract their intensities reliably. The crystals are destroyed with each XFEL pulse, but by combining snapshots from several sets of crystals, a complete set of datamore » can be assembled, and crystal structures of materials that are difficult to analyze otherwise will become accessible. Even with a single shot, at least a partial analysis of the crystal structure will be possible, and with 10–50 femtosecond pulses, this offers tantalizing possibilities for time-resolved studies.« less

  14. Developing grain boundary diagrams as a materials science tool: A case study of nickel-doped molybdenum

    SciTech Connect (OSTI)

    Shi Xiaomeng; Luo Jian

    2011-07-01

    Impurity-based, premelting-like, grain boundary (GB) ''phases'' (complexions) can form in alloys and influence sintering, creep, and microstructural development. Calculation of Phase Diagrams (CalPhaD) methods and Miedema-type statistical interfacial thermodynamic models are combined to forecast the formation and stability of subsolidus quasiliquid GB phases in binary alloys. This work supports a long-range scientific goal of developing ''GB (phase) diagrams'' as a new materials science tool to help controlling the materials fabrication processing and resultant materials properties. Using nickel-doped molybdenum as a model system, a type of GB diagram (called ''{lambda} diagram'') is computed to represent the temperature- and composition-dependent thermodynamic tendency for general GBs to disorder. Subsequently, controlled sintering experiments are conducted to estimate the GB diffusivity as a function of temperature and overall composition, and the experimental results correlate well with the computed GB diagram. Although they are not yet rigorous GB-phase diagrams with well-defined transition lines, the predictability and usefulness of such {lambda} diagrams are demonstrated. Related interfacial thermodynamic models and computational approaches are discussed.

  15. The Science of Electrode Materials for Lithium Batteries

    SciTech Connect (OSTI)

    Fultz, Brent

    2007-03-15

    Rechargeable lithium batteries continue to play the central role in power systems for portable electronics, and could play a role of increasing importance for hybrid transportation systems that use either hydrogen or fossil fuels. For example, fuel cells provide a steady supply of power, whereas batteries are superior when bursts of power are needed. The National Research Council recently concluded that for dismounted soldiers "Among all possible energy sources, hybrid systems provide the most versatile solutions for meeting the diverse needs of the Future Force Warrior. The key advantage of hybrid systems is their ability to provide power over varying levels of energy use, by combining two power sources." The relative capacities of batteries versus fuel cells in a hybrid power system will depend on the capabilities of both. In the longer term, improvements in the cost and safety of lithium batteries should lead to a substantial role for electrochemical energy storage subsystems as components in fuel cell or hybrid vehicles. We have completed a basic research program for DOE BES on anode and cathode materials for lithium batteries, extending over 6 years with a 1 year phaseout period. The emphasis was on the thermodynamics and kinetics of the lithiation reaction, and how these pertain to basic electrochemical properties that we measure experimentally — voltage and capacity in particular. In the course of this work we also studied the kinetic processes of capacity fade after cycling, with unusual results for nanostructued Si and Ge materials, and the dynamics underlying electronic and ionic transport in LiFePO4. This document is the final report for this work.

  16. Chemical Sciences

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

    Chemical Sciences - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us ... ARPA-E Basic Energy Sciences Materials Sciences and Engineering Chemical Sciences ...

  17. MaRIE: A facility for time-dependent materials science at the mesoscale

    Office of Scientific and Technical Information (OSTI)

    (Technical Report) | SciTech Connect MaRIE: A facility for time-dependent materials science at the mesoscale Citation Details In-Document Search Title: MaRIE: A facility for time-dependent materials science at the mesoscale Authors: Barnes, Cris William [1] ; Kippen, Karen Elizabeth [1] + Show Author Affiliations Los Alamos National Laboratory Publication Date: 2015-02-11 OSTI Identifier: 1170260 Report Number(s): LA-UR-15-20995 DOE Contract Number: AC52-06NA25396 Resource Type: Technical

  18. Computational analysis of azine-N-oxides as energetic materials

    SciTech Connect (OSTI)

    Ritchie, J.P.

    1994-05-01

    A BKW equation of state in a 1-dimensional hydrodynamic simulation of the cylinder test can be used to estimate the performance of explosives. Using this approach, the novel explosive 1,4-diamino-2,3,5,6-tetrazine-2,5-dioxide (TZX) was analyzed. Despite a high detonation velocity and a predicted CJ pressure comparable to that of RDX, TZX performs relatively poorly in the cylinder test. Theoretical and computational analysis shows this to be the result of a low heat of detonation. A conceptual strategy is proposed to remedy this problem. In order to predict the required heats of formation, new ab initio group equivalents were developed. Crystal structure calculations are also described that show hydrogen-bonding is important in determining the density of TZX and related compounds.

  19. FWP executive summaries. Basic Energy Sciences/Materials Sciences Programs (SNL/NM)

    SciTech Connect (OSTI)

    Samara, G.A.

    1994-01-01

    This report is divided into: budget, capital equipment requests, general programmatic overview and institutional issues, DOE center of excellence for synthesis and processing of advanced materials, industrial interactions and technology transfer, and research program summaries (new proposals, existing programs). Ceramics, semiconductors, superconductors, interfaces, CVD, tailored surfaces, adhesion, growth and epitaxy, boron-rich solids, nanoclusters, etc. are covered.

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

    SciTech Connect (OSTI)

    Sabau, Adrian S [ORNL

    2015-01-01

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

  1. Science

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

    Science Stockpile Stewardship National Security National Competitiveness Fusion and Ignition Energy for the Future How to Make a Star Discovery Science Photon Science HAPLS

  2. Materials Science

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

    2 - 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 Fuel Cycle Defense Waste Management Programs Advanced Nuclear Energy Nuclear

  3. Materials Science

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

    3 - 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 Fuel Cycle Defense Waste Management Programs Advanced Nuclear Energy Nuclear

  4. Materials Science

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

    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 Fuel Cycle Defense Waste Management Programs Advanced Nuclear Energy Nuclear

  5. Berkeley Lab Opens State-of-the-Art Facility for Computational Science

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

    Berkeley Lab Opens State-of-the-Art Facility for Computational Science News & Publications ESnet News Media & Press Publications and Presentations Galleries ESnet Awards and Honors Contact Us Media Jon Bashor, jbashor@lbl.gov, +1 510 486 5849 or Media@es.net Technical Assistance: 1 800-33-ESnet (Inside the US) 1 800-333-7638 (Inside the US) 1 510-486-7600 (Globally) 1 510-486-7607 (Globally) Report Network Problems: trouble@es.net Provide Web Site Feedback: info@es.net Berkeley Lab Opens

  6. The New Structural Materials Science Beamlines BL8A and 8B at Photon Factory

    SciTech Connect (OSTI)

    Nakao, A.; Sugiyama, H.; Koyama, A.; Watanabe, K.

    2010-06-23

    BL8A and 8B are new beamlines for structural materials science at Photon Factory. The primary characteristics of both beamlines are similar. The incident beam is monochromatized by the Si(111) double-flat crystal monochromator and focused at the sample position by a Rh-coated bent cylindrical quartz mirror. The Weissenberg-camera-type imaging-plate (IP) diffractometers were installed. The X-ray diffraction experiments for structural studies of strongly correlated materials, such as transition metals, molecular conductors, endohedral fullerenes, nano-materials, etc, are conducted at these stations.

  7. High Performance Computing Modeling Advances Accelerator Science for High-Energy Physics

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

    Amundson, James; Macridin, Alexandru; Spentzouris, Panagiotis

    2014-07-28

    The development and optimization of particle accelerators are essential for advancing our understanding of the properties of matter, energy, space, and time. Particle accelerators are complex devices whose behavior involves many physical effects on multiple scales. Therefore, advanced computational tools utilizing high-performance computing are essential for accurately modeling them. In the past decade, the US Department of Energy's SciDAC program has produced accelerator-modeling tools that have been employed to tackle some of the most difficult accelerator science problems. The authors discuss the Synergia framework and its applications to high-intensity particle accelerator physics. Synergia is an accelerator simulation package capable ofmore » handling the entire spectrum of beam dynamics simulations. Our authors present Synergia's design principles and its performance on HPC platforms.« less

  8. High Performance Computing Modeling Advances Accelerator Science for High-Energy Physics

    SciTech Connect (OSTI)

    Amundson, James; Macridin, Alexandru; Spentzouris, Panagiotis

    2014-07-28

    The development and optimization of particle accelerators are essential for advancing our understanding of the properties of matter, energy, space, and time. Particle accelerators are complex devices whose behavior involves many physical effects on multiple scales. Therefore, advanced computational tools utilizing high-performance computing are essential for accurately modeling them. In the past decade, the US Department of Energy's SciDAC program has produced accelerator-modeling tools that have been employed to tackle some of the most difficult accelerator science problems. The authors discuss the Synergia framework and its applications to high-intensity particle accelerator physics. Synergia is an accelerator simulation package capable of handling the entire spectrum of beam dynamics simulations. Our authors present Synergia's design principles and its performance on HPC platforms.

  9. High-Performance Computing Modeling Advances Accelerator Science for High-Energy Physics

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

    Amundson, James; Macridin, Alexandru; Spentzouris, Panagiotis

    2014-11-01

    The development and optimization of particle accelerators are essential for advancing our understanding of the properties of matter, energy, space and time. Particle accelerators are complex devices whose behavior involves many physical effects on multiple scales. Therefore, advanced computational tools utilizing high-performance computing (HPC) are essential for accurately modeling them. In the past decade, the DOE SciDAC program has produced such accelerator-modeling tools, which have beem employed to tackle some of the most difficult accelerator science problems. In this article we discuss the Synergia beam-dynamics framework and its applications to high-intensity particle accelerator physics. Synergia is an accelerator simulation packagemorecapable of handling the entire spectrum of beam dynamics simulations. We present the design principles, key physical and numerical models in Synergia and its performance on HPC platforms. Finally, we present the results of Synergia applications for the Fermilab proton source upgrade, known as the Proton Improvement Plan (PIP).less

  10. High-Performance Computing Modeling Advances Accelerator Science for High-Energy Physics

    SciTech Connect (OSTI)

    Amundson, James; Macridin, Alexandru; Spentzouris, Panagiotis

    2014-11-01

    The development and optimization of particle accelerators are essential for advancing our understanding of the properties of matter, energy, space and time. Particle accelerators are complex devices whose behavior involves many physical effects on multiple scales. Therefore, advanced computational tools utilizing high-performance computing (HPC) are essential for accurately modeling them. In the past decade, the DOE SciDAC program has produced such accelerator-modeling tools, which have beem employed to tackle some of the most difficult accelerator science problems. In this article we discuss the Synergia beam-dynamics framework and its applications to high-intensity particle accelerator physics. Synergia is an accelerator simulation package capable of handling the entire spectrum of beam dynamics simulations. We present the design principles, key physical and numerical models in Synergia and its performance on HPC platforms. Finally, we present the results of Synergia applications for the Fermilab proton source upgrade, known as the Proton Improvement Plan (PIP).

  11. Immersive Visualization for Materials Science Data Analysis using the Oculus Rift

    SciTech Connect (OSTI)

    Drouhard, Margaret MEG G; Steed, Chad A; Hahn, Steven E; Proffen, Thomas E; Daniel, Jamison R; Matheson, Michael A

    2015-01-01

    In this paper, we propose strategies and objectives for immersive data visualization with applications in materials science using the Oculus Rift virtual reality headset. We provide background on currently available analysis tools for neutron scattering data and other large-scale materials science projects. In the context of the current challenges facing scientists, we discuss immersive virtual reality visualization as a potentially powerful solution. We introduce a prototype immersive visual- ization system, developed in conjunction with materials scientists at the Spallation Neutron Source, which we have used to explore large crystal structures and neutron scattering data. Finally, we offer our perspective on the greatest challenges that must be addressed to build effective and intuitive virtual reality analysis tools that will be useful for scientists in a wide range of fields.

  12. Big, Deep, and Smart Data in Energy Materials Research: Atomic...

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

    Big, Deep, and Smart Data in Energy Materials Research: Atomic View on Materials Functionalities Event Sponsor: Computing, Environment, and Life Sciences Seminar Start Date: Sep 22...

  13. Collaboration to advance high-performance computing

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

    cyber security, data sharing and mobility, cloud computing, large-scale analytics, and materials science. This first Project Task Statement (PTS) under the Umbrella CRADA is...

  14. Climate & Earth Science

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

    Human-Induced Climate Change Reduces Chance of Flooding in Okavango Delta Energy Science Engineering Science Environmental Science Fusion Science Math & Computer Science Nuclear...

  15. Theory & Computation > Research > The Energy Materials Center at Cornell

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

    Theory & Computation In This Section Computation & Simulation Theory & Computation Computation & Simulation

  16. Inverse Design: Playing "Jeopardy" in Materials Science (A "Life at the Frontiers of Energy Research" contest entry from the 2011 Energy Frontier Research Centers (EFRCs) Summit and Forum)

    SciTech Connect (OSTI)

    Alex Zunger; Tumas, Bill; CID Staff

    2011-05-01

    'Inverse Design: Playing 'Jeopardy' in Materials Science' was submitted by the Center for Inverse Design (CID) to the 'Life at the Frontiers of Energy Research' video contest at the 2011 Science for Our Nation's Energy Future: Energy Frontier Research Centers (EFRCs) Summit and Forum. Twenty-six EFRCs created short videos to highlight their mission and their work. CID, an EFRC directed by Bill Tumas at the National Renewable Energy Laboratory is a partnership of scientists from five institutions: NREL (lead), Northwestern University, University of Colorado, Stanford University, and Oregon State University. The Office of Basic Energy Sciences in the U.S. Department of Energy's Office of Science established the 46 Energy Frontier Research Centers (EFRCs) in 2009. These collaboratively-organized centers conduct fundamental research focused on 'grand challenges' and use-inspired 'basic research needs' recently identified in major strategic planning efforts by the scientific community. The overall purpose is to accelerate scientific progress toward meeting the nation's critical energy challenges. The mission of the Center for Inverse Design is 'to replace trial-and-error methods used in the development of materials for solar energy conversion with an inverse design approach powered by theory and computation.' Research topics are: solar photovoltaic, photonic, metamaterial, defects, spin dynamics, matter by design, novel materials synthesis, and defect tolerant materials.

  17. Inverse Design: Playing "Jeopardy" in Materials Science (A "Life at the Frontiers of Energy Research" contest entry from the 2011 Energy Frontier Research Centers (EFRCs) Summit and Forum)

    ScienceCinema (OSTI)

    Alex Zunger (former Director, Center for Inverse Design); Tumas, Bill (Director, Center for Inverse Design); CID Staff

    2011-11-02

    'Inverse Design: Playing 'Jeopardy' in Materials Science' was submitted by the Center for Inverse Design (CID) to the 'Life at the Frontiers of Energy Research' video contest at the 2011 Science for Our Nation's Energy Future: Energy Frontier Research Centers (EFRCs) Summit and Forum. Twenty-six EFRCs created short videos to highlight their mission and their work. CID, an EFRC directed by Bill Tumas at the National Renewable Energy Laboratory is a partnership of scientists from five institutions: NREL (lead), Northwestern University, University of Colorado, Stanford University, and Oregon State University. The Office of Basic Energy Sciences in the U.S. Department of Energy's Office of Science established the 46 Energy Frontier Research Centers (EFRCs) in 2009. These collaboratively-organized centers conduct fundamental research focused on 'grand challenges' and use-inspired 'basic research needs' recently identified in major strategic planning efforts by the scientific community. The overall purpose is to accelerate scientific progress toward meeting the nation's critical energy challenges. The mission of the Center for Inverse Design is 'to replace trial-and-error methods used in the development of materials for solar energy conversion with an inverse design approach powered by theory and computation.' Research topics are: solar photovoltaic, photonic, metamaterial, defects, spin dynamics, matter by design, novel materials synthesis, and defect tolerant materials.

  18. Soft x-ray spectromicroscopy development for materials science at the Advanced Light Source

    SciTech Connect (OSTI)

    Warwick, T.; Padmore, H.; Ade, H.; Hitchcock, A.P.; Rightor, E.G.; Tonner, B.P.

    1996-08-01

    Several third generation synchrotron radiation facilities are now operational and the high brightness of these photon sources offers new opportunities for x-ray microscopy. Well developed synchrotron radiation spectroscopy techniques are being applied in new instruments capable of imaging the surface of a material with a spatial resolution smaller than one micron. There are two aspects to this. One is to further the field of surface science by exploring the effects of spatial variations across a surface on a scale not previously accessible to x-ray measurements. The other is to open up new analytical techniques in materials science using x-rays, on a spatial scale comparable to that of the processes or devices to be studied. The development of the spectromicroscopy program at the Advanced Light Source will employ a variety of instruments, some are already operational. Their development and use will be discussed, and recent results will be presented to illustrate their capabilities.

  19. Computing and Computational Sciences Directorate - Computer Science...

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

    Supercomputing Oak Ridge National Laboratory is home to several of the world's most powerful supercomputing resources. Each of these resources is dedicated to delivering ...

  20. Fusion Materials Science and Technology Research Needs: Now and During the ITER era

    SciTech Connect (OSTI)

    Wirth, Brian D.; Kurtz, Richard J.; Snead, Lance L.

    2013-09-30

    The plasma facing components, first wall and blanket systems of future tokamak-based fusion power plants arguably represent the single greatest materials engineering challenge of all time. Indeed, the United States National Academy of Engineering has recently ranked the quest for fusion as one of the top grand challenges for engineering in the 21st Century. These challenges are even more pronounced by the lack of experimental testing facilities that replicate the extreme operating environment involving simultaneous high heat and particle fluxes, large time varying stresses, corrosive chemical environments, and large fluxes of 14-MeV peaked fusion neutrons. This paper will review, and attempt to prioritize, the materials research and development challenges facing fusion nuclear science and technology into the ITER era and beyond to DEMO. In particular, the presentation will highlight the materials degradation mechanisms we anticipate to occur in the fusion environment, the temperature- displacement goals for fusion materials and plasma facing components and the near and long-term materials challenges required for both ITER, a fusion nuclear science facility and longer term ultimately DEMO.

  1. Preface of the “Computational quantum chemistry and from small clusters to functional building blocks of novel nanomaterials symposium”

    SciTech Connect (OSTI)

    Maroulis, George; Pouchan, C.; Xenides, D.; Karamanis, P.

    2015-01-22

    This symposium included papers with emphasis on Theoretical and Computational Quantum Chemistry and special focus on Materials Science perspectives.

  2. Support for the Core Research Activities and Studies of the Computer Science and Telecommunications Board (CSTB)

    SciTech Connect (OSTI)

    Jon Eisenberg, Director, CSTB

    2008-05-13

    The Computer Science and Telecommunications Board of the National Research Council considers technical and policy issues pertaining to computer science (CS), telecommunications, and information technology (IT). The functions of the board include: (1) monitoring and promoting the health of the CS, IT, and telecommunications fields, including attention as appropriate to issues of human resources and funding levels and program structures for research; (2) initiating studies involving CS, IT, and telecommunications as critical resources and sources of national economic strength; (3) responding to requests from the government, non-profit organizations, and private industry for expert advice on CS, IT, and telecommunications issues; and to requests from the government for expert advice on computer and telecommunications systems planning, utilization, and modernization; (4) fostering interaction among CS, IT, and telecommunications researchers and practitioners, and with other disciplines; and providing a base of expertise in the National Research Council in the areas of CS, IT, and telecommunications. This award has supported the overall operation of CSTB. Reports resulting from the Board's efforts have been widely disseminated in both electronic and print form, and all CSTB reports are available at its World Wide Web home page at cstb.org. The following reports, resulting from projects that were separately funded by a wide array of sponsors, were completed and released during the award period: 2007: * Summary of a Workshop on Software-Intensive Systems and Uncertainty at Scale * Social Security Administration Electronic Service Provision: A Strategic Assessment * Toward a Safer and More Secure Cyberspace * Software for Dependable Systems: Sufficient Evidence? * Engaging Privacy and Information Technology in a Digital Age * Improving Disaster Management: The Role of IT in Mitigation, Preparedness, Response, and Recovery 2006: * Renewing U.S. Telecommunications Research * Letter Report on Electronic Voting * Summary of a Workshop on the Technology, Policy, and Cultural Dimensions of Biometric System 2005: * Catalyzing Inquiry at the Interface of Computing and Biology * Summary of a Workshop on Using IT to Enhance Disaster Management * Asking the Right Questions About Electronic Voting * Building an Electronic Records Archive at NARA: Recommendations for a Long-Term Strategy * Signposts in Cyberspace: The Domain Name System and Internet Navigation 2004: * ITCP: Information Technology and Creative Practices (brochure) * Radio Frequency Identification (RFID) Technologies: A Workshop Summary * Getting up to Speed: The Future of Supercomputing * Summary of a Workshop on Software Certification and Dependability * Computer Science: Reflections on the Field, Reflections from the Field CSTB conducted numerous briefings of these reports and transmitted copies of these reports to researchers and key decision makers in the public and private sectors. It developed articles for journals based on several of these reports. As requested, and in fulfillment of its congressional charter to act as an independent advisor to the federal government, it arranged for congressional testimony on several of these reports. CSTB also convenes a number of workshops and other events, either as part of studies or in conjunctions with meetings of the CSTB members. These events have included the following: two 2007 workshops explored issues and challenges related to state voter registration databases, record matching, and database interoperability. A Sept. 2007 workshop, Trends in Computing Performance, explored fundamental trends in areas such as power, storage, programming, and applications. An Oct. 2007, workshop presented highlights of CSTB's May 2007 report, Software for Dependable Systems: Sufficient Evidence?, along with several panels discussing the report's conclusions and their implications. A Jan. 2007 workshop, Uncertainty at Scale, explored engineering uncertainty, system complexity, and scale issues in developing large software systems. A Feb. 2007

  3. Fusion Materials Science and Technology Research Opportunities now and during the ITER Era

    SciTech Connect (OSTI)

    Zinkle, Steven J.; Blanchard, James; Callis, Richard W.; Kessel, Charles E.; Kurtz, Richard J.; Lee, Peter J.; Mccarthy, Kathryn; Morley, Neil; Najmabadi, Farrokh; Nygren, Richard; Tynan, George R.; Whyte, Dennis G.; Willms, Scott; Wirth, Brian D.

    2014-03-13

    Several high-priority near-term potential research activities to address fusion nuclear science challenges are summarized. General recommendations include: 1) Research should be preferentially focused on the most technologically advanced options (i.e., options that have been developed at least through the single-effects concept exploration stage, Technology Readiness Levels >3), 2) Significant near-term progress can be achieved by modifying existing facilities and/or moderate investment in new medium-scale facilities, and 3) Computational modeling for fusion nuclear sciences is generally not yet sufficiently robust to enable truly predictive results to be obtained, but large reductions in risk, cost and schedule can be achieved by careful integration of experiment and modeling.

  4. Fusion materials science and technology research opportunities now and during the ITER era

    SciTech Connect (OSTI)

    S.J. Zinkle; J.P. Planchard; R.W. Callis; C.E. Kessel; P.J. Lee; K.A. McCarty; Various Others

    2014-10-01

    Several high-priority near-term potential research activities to address fusion nuclear science challenges are summarized. General recommendations include: (1) Research should be preferentially focused on the most technologically advanced options (i.e., options that have been developed at least through the singleeffects concept exploration stage, technology readiness levels >3), (2) Significant near-term progress can be achieved by modifying existing facilities and/or moderate investment in new medium-scale facilities, and (3) Computational modeling for fusion nuclear sciences is generally not yet sufficiently robust to enable truly predictive results to be obtained, but large reductions in risk, cost and schedule can be achieved by careful integration of experiment and modeling.

  5. Real time method and computer system for identifying radioactive materials from HPGe gamma-ray spectroscopy

    DOE Patents [OSTI]

    Rowland, Mark S.; Howard, Douglas E.; Wong, James L.; Jessup, James L.; Bianchini, Greg M.; Miller, Wayne O.

    2007-10-23

    A real-time method and computer system for identifying radioactive materials which collects gamma count rates from a HPGe gamma-radiation detector to produce a high-resolution gamma-ray energy spectrum. A library of nuclear material definitions ("library definitions") is provided, with each uniquely associated with a nuclide or isotope material and each comprising at least one logic condition associated with a spectral parameter of a gamma-ray energy spectrum. The method determines whether the spectral parameters of said high-resolution gamma-ray energy spectrum satisfy all the logic conditions of any one of the library definitions, and subsequently uniquely identifies the material type as that nuclide or isotope material associated with the satisfied library definition. The method is iteratively repeated to update the spectrum and identification in real time.

  6. 1995 Federal Research and Development Program in Materials Science and Technology

    SciTech Connect (OSTI)

    1995-12-01

    The Nation's economic prosperity and military security depend heavily on development and commercialization of advanced materials. Materials are a key facet of many technologies, providing the key ingredient for entire industries and tens of millions of jobs. With foreign competition in many areas of technology growing, improvements in materials and associated processes are needed now more than ever, both to create the new products and jobs of the future and to ensure that U.S. industry and military forces can compete and win in the international arena. The Federal Government has invested in materials research and development (R&D) for nearly a century, helping to lay the foundation for many of the best commercial products and military components used today. But while the United States has led the world in the science and development of advanced materials, it often has lagged in commercializing them. This long-standing hurdle must be overcome now if the nation is to maintain its leadership in materials R&D and the many technologies that depend on it. The Administration therefore seeks to foster commercialization of state-of-the-art materials for both commercial and military use, as a means of promoting US industrial competitiveness as well as the procurement of advanced military and space systems and other products at affordable costs. The Federal R&D effort in Fiscal Year 1994 for materials science and technology is an estimated $2123.7 million. It includes the ongoing R&D base that support the missions of nine Federal departments and agencies, increased strategic investment to overcome obstacles to commercialization of advanced materials technologies, interagency cooperation in R&D areas of mutual benefit to leverage assets and eliminate duplicative work, cost-shared research with industrial and academic partners in critical precompetitive technology areas, and international cooperation on selected R&D topics with assured benefits for the United States. The materials R&D program also supports the Administration's specific technological objectives, emphasizing development of affordable, high-performance commercial and military aircraft; ultra-fuel-efficient, low-emissions automobiles that are also safe and comfortable; powerful yet inexpensive electronic systems; environmentally safe products and processes; and a durable building and transportation infrastructure.

  7. SUPPORTING SAFE STORAGE OF PLUTONIUM-BEARING MATERIALS THROUGH SCIENCE, ENGINEERING AND SURVEILLANCE

    SciTech Connect (OSTI)

    Dunn, K.; Chandler, G.; Gardner, C.; Louthan, M.; Mcclard, J.

    2009-11-10

    Reductions in the size of the U. S. nuclear weapons arsenal resulted in the need to store large quantities of plutonium-bearing metals and oxides for prolonged periods of time. To assure that the excess plutonium from the U. S. Department of Energy (DOE) sites was stored in a safe and environmentally friendly manner the plutonium-bearing materials are stabilized and packaged according to well developed criteria published as a DOE Standard. The packaged materials are stored in secure facilities and regular surveillance activities are conducted to assure continuing package integrity. The stabilization, packaging, storage and surveillance requirements were developed through extensive science and engineering activities including those related to: plutonium-environment interactions and container pressurization, corrosion and stress corrosion cracking, plutonium-container material interactions, loss of sealing capability and changes in heat transfer characteristics. This paper summarizes some of those activities and outlines ongoing science and engineering programs that assure continued safe and secure storage of the plutonium-bearing metals and oxides.

  8. Vehicle Technologies Office Merit Review 2014: Integrated Computational Materials Engineering Approach to Development of Lightweight 3GAHSS Vehicle Assembly

    Broader source: Energy.gov [DOE]

    Presentation given by USAMP at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about integrated computational materials...

  9. Vehicle Technologies Office Merit Review 2015: Integrated Computational Materials Engineering Approach to Development of Lightweight 3GAHSS Vehicle Assembly

    Broader source: Energy.gov [DOE]

    Presentation given by USAMP at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about integrated computational materials...

  10. Chemistry {ampersand} Materials Science program report, Weapons Resarch and Development and Laboratory Directed Research and Development FY96

    SciTech Connect (OSTI)

    Chase, L.

    1997-03-01

    This report is the annual progress report for the Chemistry Materials Science Program: Weapons Research and Development and Laboratory Directed Research and Development. Twenty-one projects are described separately by their principal investigators.

  11. Materials Science Clean Room Facility at Tulane University (Final Technical Report)

    SciTech Connect (OSTI)

    Altiero, Nicholas

    2014-10-28

    The project involves conversion of a 3,000 sq. ft. area into a clean room facility for materials science research. It will be accomplished in phases. Phase I will involve preparation of the existing space, acquisition and installation of clean room equipped with a pulsed laser deposition (PLD) processing system, and conversion of ancillary space to facilitate the interface with the clean room. From a capital perspective, Phases II and III will involve the acquisition of additional processing, fabrication, and characterization equipment and capabilities.

  12. Computer-Aided Design of Materials for use under High Temperature Operating Condition

    SciTech Connect (OSTI)

    Rajagopal, K. R.; Rao, I. J.

    2010-01-31

    The procedures in place for producing materials in order to optimize their performance with respect to creep characteristics, oxidation resistance, elevation of melting point, thermal and electrical conductivity and other thermal and electrical properties are essentially trial and error experimentation that tend to be tremendously time consuming and expensive. A computational approach has been developed that can replace the trial and error procedures in order that one can efficiently design and engineer materials based on the application in question can lead to enhanced performance of the material, significant decrease in costs and cut down the time necessary to produce such materials. The work has relevance to the design and manufacture of turbine blades operating at high operating temperature, development of armor and missiles heads; corrosion resistant tanks and containers, better conductors of electricity, and the numerous other applications that are envisaged for specially structured nanocrystalline solids. A robust thermodynamic framework is developed within which the computational approach is developed. The procedure takes into account microstructural features such as the dislocation density, lattice mismatch, stacking faults, volume fractions of inclusions, interfacial area, etc. A robust model for single crystal superalloys that takes into account the microstructure of the alloy within the context of a continuum model is developed. Having developed the model, we then implement in a computational scheme using the software ABAQUS/STANDARD. The results of the simulation are compared against experimental data in realistic geometries.

  13. Science

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

    Science Science & Technology Images of Lab scientists and researchers at work. News Releases Science Briefs Photos Picture of the Week Publications Social Media Videos Fact Sheets PHOTOS BY TOPIC Careers Community Visitors Environment History Science The Lab Click thumbnails to enlarge. Photos arranged by most recent first, horizontal formats before vertical. See Flickr for more sizes and details. Astronomical simulation in the CAVE - 1 Astronomical simulation in the CAVE - 1 Scientist sees

  14. From Quanta to the Continuum: Opportunities for Mesoscale Science...

    Office of Scientific and Technical Information (OSTI)

    Language: English Subject: 74 ATOMIC AND MOLECULAR PHYSICS; 36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; 97 MATHEMATICS AND COMPUTING Word Cloud More Like This Full ...

  15. Higher temperature reactor materials workshop sponsored by the Department of Energy Office of Nuclear Energy, Science, and Technology (NE) and the Office of Basic Energy Sciences (BES).

    SciTech Connect (OSTI)

    Allen, T.; Bruemmer, S.; Kassner, M.; Odette, R.; Stoller, R.; Was, G.; Wolfer, W.; Zinkle, S.; Elmer, J.; Motta, A.

    2002-08-12

    On March 18-21, 2002, the Department of Energy, Office of Nuclear Energy, Science, and Technology (NE) and the Office of Basic Energy Sciences (BES) sponsored a workshop to identify needs and opportunities for materials research aimed at performance improvements of structural materials in higher temperature reactors. The workshop focused discussion around the reactor concepts proposed as part of the Generation IV Nuclear Energy System Roadmap. The goal of the Generation IV initiative is to make revolutionary improvements in nuclear energy system design in the areas of sustainability, economics, safety and reliability. The Generation IV Nuclear Energy Systems Roadmap working groups have identified operation at higher temperature as an important step in improving economic performance and providing a means for nuclear energy to support thermochemical production of hydrogen. However, the move to higher operating temperatures will require the development and qualification of advanced materials to perform in the more challenging environment. As part of the process of developing advanced materials for these reactor concepts, a fundamental understanding of materials behavior must be established and the data-base defining critical performance limitations of these materials under irradiation must be developed. This workshop reviewed potential reactor designs and operating regimes, potential materials for application in high-temperature reactor environments, anticipated degradation mechanisms, and research necessary to understand and develop reactor materials capable of satisfactory performance while subject to irradiation damage at high temperature. The workshop brought together experts from the reactor materials and fundamental materials science communities to identify research and development needs and opportunities to provide optimum high temperature nuclear energy system structural materials.

  16. Molecular Environmental Science Using Synchrotron Radiation: Chemistry and Physics of Waste Form Materials

    SciTech Connect (OSTI)

    Lindle, Dennis W.

    2011-04-21

    Production of defense-related nuclear materials has generated large volumes of complex chemical wastes containing a mixture of radionuclides. The disposition of these wastes requires conversion of the liquid and solid-phase components into durable, solid forms suitable for long-term immobilization. Specially formulated glass compositions and ceramics such as pyrochlores and apatites are the main candidates for these wastes. An important consideration linked to the durability of waste-form materials is the local structure around the waste components. Equally important is the local structure of constituents of the glass and ceramic host matrix. Knowledge of the structure in the waste-form host matrices is essential, prior to and subsequent to waste incorporation, to evaluate and develop improved waste-form compositions based on scientific considerations. This project used the soft-x-ray synchrotron-radiation-based technique of near-edge x-ray-absorption fine structure (NEXAFS) as a unique method for investigating oxidation states and structures of low-Z elemental constituents forming the backbones of glass and ceramic host matrices for waste-form materials. In addition, light metal ions in ceramic hosts, such as titanium, are also ideal for investigation by NEXAFS in the soft-x-ray region. Thus, one of the main objectives was to understand outstanding issues in waste-form science via NEXAFS investigations and to translate this understanding into better waste-form materials, followed by eventual capability to investigate “real” waste-form materials by the same methodology. We conducted several detailed structural investigations of both pyrochlore ceramic and borosilicate-glass materials during the project and developed improved capabilities at Beamline 6.3.1 of the Advanced Light Source (ALS) to perform the studies.

  17. NERSC-ScienceHighlightsJuly2013.ppt

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

    July 2013 NERSC Science Highlights --- 1 --- NERSC User Science Highlights Materials Model is able to predict which of a million or so potential materials might be best for carbon capture (B. Smit, LBNL) Materials NERSC collaboration yields software that is a key enabler in the high- throughput computational materials science initiative (S. Ong, MIT) Climate NERSC simulations contribute to a study finding that emission regulations reduced soot and climate change impact in California W. Collins

  18. Materials Project: A Materials Genome Approach

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Ceder, Gerbrand [MIT; Persson, Kristin [LBNL

    Technological innovation - faster computers, more efficient solar cells, more compact energy storage - is often enabled by materials advances. Yet, it takes an average of 18 years to move new materials discoveries from lab to market. This is largely because materials designers operate with very little information and must painstakingly tweak new materials in the lab. Computational materials science is now powerful enough that it can predict many properties of materials before those materials are ever synthesized in the lab. By scaling materials computations over supercomputing clusters, this project has computed some properties of over 80,000 materials and screened 25,000 of these for Li-ion batteries. The computations predicted several new battery materials which were made and tested in the lab and are now being patented. By computing properties of all known materials, the Materials Project aims to remove guesswork from materials design in a variety of applications. Experimental research can be targeted to the most promising compounds from computational data sets. Researchers will be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design better, the Materials Project aims to accelerate innovation in materials research.[copied from http://materialsproject.org/about] You will be asked to register to be granted free, full access.

  19. science

    National Nuclear Security Administration (NNSA)

    through the Predictive Capability Framework (PCF). The PCF is a long-term integrated roadmap to guide the science, technology and engineering activities and Directed Stockpile...

  20. Advanced Scientific Computing Research

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

    Advanced Scientific Computing Research Advanced Scientific Computing Research Discovering, ... The DOE Office of Science's Advanced Scientific Computing Research (ASCR) program ...

  1. Accelerating Advanced Material Development

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

    Materials Research in the Information Age Accelerating Advanced Material Development NERSC Science Gateway a 'Google of Material Properties' October 31, 2011 Linda Vu, lvu@lbl.gov, +1 510 495 2402 Kristin Persson is one of the founding scientists behind the Materials Project, a computational tool aimed at taking the guesswork out of new materials discoveries, especially those aimed at energy applications like batteries. (Roy Kaltschmidt, LBNL) New materials are crucial to building a clean energy

  2. An analytical and computational study of combined rate and size effects on material properties.

    SciTech Connect (OSTI)

    Fang, Huei Eliot; Chen, Zhen; Shen, Luming University of Missouri-Columbia, Columbia, MO); Gan, Yong

    2005-05-01

    The recent interests in developing multiscale model-based simulation procedures have brought about the challenging tasks of bridging different spatial and temporal scales within a unified framework. However, the research focus has been on the scale effect in the spatial domain with the loading rate being assumed to be quasi-static. Although material properties are rate-dependent in nature, little has been done in understanding combined loading rate and specimen size effects on the material properties at different scales. In addition, the length and time scales that can be probed by the molecular level simulations are still fairly limited due to the limitation of computational capability. Based on the experimental and computational capabilities available, therefore, an attempt is made in this report to formulate a hyper-surface in both spatial and temporal domains to predict combined size and rate effects on the mechanical properties of engineering materials. To demonstrate the features of the proposed hyper-surface, tungsten specimens of various sizes under various loading rates are considered with a focus on the uniaxial loading path. The mechanical responses of tungsten specimens under other loading paths are also explored to better understand the size effect. It appears from the preliminary results that the proposed procedure might provide an effective means to bridge different spatial and temporal scales in a unified multiscale modeling framework, and facilitate the application of nanoscale research results to engineering practice.

  3. computers

    National Nuclear Security Administration (NNSA)

    Each successive generation of computing system has provided greater computing power and energy efficiency.

    CTS-1 clusters will support NNSA's Life Extension Program and...

  4. Computational physics and applied mathematics capability review June 8-10, 2010 (Advance materials to committee members)

    SciTech Connect (OSTI)

    Lee, Stephen R

    2010-01-01

    Los Alamos National Laboratory will review its Computational Physics and Applied Mathematics (CPAM) capabilities in 2010. The goals of capability reviews are to assess the quality of science, technology, and engineering (STE) performed by the capability, evaluate the integration of this capability across the Laboratory and within the scientific community, examine the relevance of this capability to the Laboratory's programs, and provide advice on the current and future directions of this capability. This is the first such review for CPAM, which has a long and unique history at the laboratory, starting from the inception of the Laboratory in 1943. The CPAM capability covers an extremely broad technical area at Los Alamos, encompassing a wide array of disciplines, research topics, and organizations. A vast array of technical disciplines and activities are included in this capability, from general numerical modeling, to coupled mUlti-physics simulations, to detailed domain science activities in mathematics, methods, and algorithms. The CPAM capability involves over 12 different technical divisions and a majority of our programmatic and scientific activities. To make this large scope tractable, the CPAM capability is broken into the following six technical 'themes.' These themes represent technical slices through the CP AM capability and collect critical core competencies of the Laboratory, each of which contributes to the capability (and each of which is divided into multiple additional elements in the detailed descriptions of the themes in subsequent sections): (1) Computational Fluid Dynamics - This theme speaks to the vast array of scientific capabilities for the simulation of fluids under shocks, low-speed flow, and turbulent conditions - which are key, historical, and fundamental strengths of the laboratory; (2) Partial Differential Equations - The technical scope of this theme is the applied mathematics and numerical solution of partial differential equations (broadly defined) in a variety of settings, including particle transport, solvers, and plasma physics; (3) Monte Carlo - Monte Carlo was invented at Los Alamos, and this theme discusses these vitally important methods and their application in everything from particle transport, to condensed matter theory, to biology; (4) Molecular Dynamics - This theme describes the widespread use of molecular dynamics for a variety of important applications, including nuclear energy, materials science, and biological modeling; (5) Discrete Event Simulation - The technical scope of this theme represents a class of complex system evolutions governed by the action of discrete events. Examples include network, communication, vehicle traffic, and epidemiology modeling; and (6) Integrated Codes - This theme discusses integrated applications (comprised of all of the supporting science represented in Themes 1-5) that are of strategic importance to the Laboratory and the nation. The laboratory has in approximately 10 million source lines of code in over 100 different such strategically important applications. Of these themes, four of them will be reviewed during the 2010 review cycle: Themes 1, 2, 3, and 6. Because these capability reviews occur every three years, Themes 4 and 5 will be reviewed in 2013, along with Theme 6 (which will be reviewed during each review, owing to this theme's role as an integrator of the supporting science represented by the other 5 themes). Yearly written status reports will be provided to the Capability Review Committee Chair during off-cycle years.

  5. Science Gateways

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

    Gateways Science Gateways About Science Gateways A science gateway is a web-based interface to access HPC computers and storage systems. Gateways allow science teams to access data, perform shared computations, and generally interact with NERSC resources over the web. Common gateway goals are to improve ease of use in HPC so that more scientists can benefit from NERSC resources to create collaborative workspaces around data and computing for science teams that use NERSC to make your data

  6. Center for Materials at Irradiation and Mechanical Extremes:...

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

    his work focused on theoretical condensed matter physics. In 1987, he returned to Switzerland and has been working on computational materials science ever since, a field in...

  7. CRC handbook of laser science and technology. Volume 4. Optical materials, Part 2 - Properties

    SciTech Connect (OSTI)

    Weber, M.J.

    1986-01-01

    This book examines the optical properties of laser materials. Topics considered include: fundamental properties; transmitting materials; crystals; glasses; plastics; filter materials; mirror and reflector materials; polarizer materials; special properties; linear electrooptic materials; magnetooptic materials; elastooptic materials; photorefractive materials; and liquid crystals.

  8. Opportunities for Materials Science and Biological Research at the OPAL Research Reactor

    SciTech Connect (OSTI)

    Kennedy, S. J.

    2008-03-17

    Neutron scattering techniques have evolved over more than 1/2 century into a powerful set of tools for determination of atomic and molecular structures. Modern facilities offer the possibility to determine complex structures over length scales from {approx}0.1 nm to {approx}500 nm. They can also provide information on atomic and molecular dynamics, on magnetic interactions and on the location and behaviour of hydrogen in a variety of materials. The OPAL Research Reactor is a 20 megawatt pool type reactor using low enriched uranium fuel, and cooled by water. OPAL is a multipurpose neutron factory with modern facilities for neutron beam research, radioisotope production and irradiation services. The neutron beam facility has been designed to compete with the best beam facilities in the world. After six years in construction, the reactor and neutron beam facilities are now being commissioned, and we will commence scientific experiments later this year. The presentation will include an outline of the strengths of neutron scattering and a description of the OPAL research reactor, with particular emphasis on it's scientific infrastructure. It will also provide an overview of the opportunities for research in materials science and biology that will be possible at OPAL, and mechanisms for accessing the facilities. The discussion will emphasize how researchers from around the world can utilize these exciting new facilities.

  9. Programs for attracting under-represented minority students to graduate school and research careers in computational science. Final report for period October 1, 1995 - September 30, 1997

    SciTech Connect (OSTI)

    Turner, James C. Jr.; Mason, Thomas; Guerrieri, Bruno

    1997-10-01

    Programs have been established at Florida A & M University to attract minority students to research careers in mathematics and computational science. The primary goal of the program was to increase the number of such students studying computational science via an interactive multimedia learning environment One mechanism used for meeting this goal was the development of educational modules. This academic year program established within the mathematics department at Florida A&M University, introduced students to computational science projects using high-performance computers. Additional activities were conducted during the summer, these included workshops, meetings, and lectures. Through the exposure provided by this program to scientific ideas and research in computational science, it is likely that their successful applications of tools from this interdisciplinary field will be high.

  10. DOE Science Showcase - Quantum Computer Hardware | OSTI, US Dept of Energy,

    Office of Scientific and Technical Information (OSTI)

    Office of Scientific and Technical Information Computer Hardware Building the Quantum Computer In the amazing world of quantum physics, DOE researchers and their partners are designing hardware for quantum computers that function by storing and using data on atoms and the subatomic particles inside of them. Major advances in this hardware development could ultimately accelerate the design of practical, full-scale quantum computers. Learn more about this hardware development in From "1

  11. DOE Science Showcase - High-Performance Computing | OSTI, US Dept of

    Office of Scientific and Technical Information (OSTI)

    Energy, Office of Scientific and Technical Information High-Performance Computing Supercomputers or massively parallel high-performance computers (HPCs) are machines that employ very large numbers of processors in parallel to address scientific and engineering challenges. HPCs carry out trillions or even quadrillions of calculations each second - current high-performance computers are powerful enough to simulate some of the most complex physical, biological, and chemical phenomena.

  12. About the ASCR Computer Science Program | U.S. DOE Office of...

    Office of Science (SC) Website

    computer architectures that incorporate new power efficient memory and storage systems. ... cache hierarchies not useful; 4) energy-efficient on-chip and off-chip communication ...

  13. COMPUTER SCIENCE RESEARCH MELISSES: Liquid Services for Scalable Multithreaded and Multicore Execution on Emerging Supercomputers

    SciTech Connect (OSTI)

    Dimitrios S. Nikolopoulos

    2008-08-10

    In this final report, we summarize the contributions made through support from the DOE ECPI award to research and training in advanced computing systems.

  14. Introducing Enabling Computational Tools to the Climate Sciences: Multi-Resolution Climate Modeling with Adaptive Cubed-Sphere Grids

    SciTech Connect (OSTI)

    Jablonowski, Christiane

    2015-07-14

    The research investigates and advances strategies how to bridge the scale discrepancies between local, regional and global phenomena in climate models without the prohibitive computational costs of global cloud-resolving simulations. In particular, the research explores new frontiers in computational geoscience by introducing high-order Adaptive Mesh Refinement (AMR) techniques into climate research. AMR and statically-adapted variable-resolution approaches represent an emerging trend for atmospheric models and are likely to become the new norm in future-generation weather and climate models. The research advances the understanding of multi-scale interactions in the climate system and showcases a pathway how to model these interactions effectively with advanced computational tools, like the Chombo AMR library developed at the Lawrence Berkeley National Laboratory. The research is interdisciplinary and combines applied mathematics, scientific computing and the atmospheric sciences. In this research project, a hierarchy of high-order atmospheric models on cubed-sphere computational grids have been developed that serve as an algorithmic prototype for the finite-volume solution-adaptive Chombo-AMR approach. The foci of the investigations have lied on the characteristics of both static mesh adaptations and dynamically-adaptive grids that can capture flow fields of interest like tropical cyclones. Six research themes have been chosen. These are (1) the introduction of adaptive mesh refinement techniques into the climate sciences, (2) advanced algorithms for nonhydrostatic atmospheric dynamical cores, (3) an assessment of the interplay between resolved-scale dynamical motions and subgrid-scale physical parameterizations, (4) evaluation techniques for atmospheric model hierarchies, (5) the comparison of AMR refinement strategies and (6) tropical cyclone studies with a focus on multi-scale interactions and variable-resolution modeling. The results of this research project demonstrate significant advances in all six research areas. The major conclusions are that statically-adaptive variable-resolution modeling is currently becoming mature in the climate sciences, and that AMR holds outstanding promise for future-generation weather and climate models on high-performance computing architectures.

  15. TAOI B- Computational Microstructural Optimization Design Tool for High Temperature Structural Materials

    SciTech Connect (OSTI)

    Mishra, Rajiv; Charit, Indrajit

    2015-02-28

    The objectives of this research were two-fold: (a) develop a methodology for microstructural optimization of alloys - genetic algorithm approach for alloy microstructural optimization using theoretical models based on fundamental micro-mechanisms, and (b) develop a new computationally designed Ni-Cr alloy for coal-fired power plant applications. The broader outcome of these objectives is expected to be creation of an integrated approach for ‘structural materials by microstructural design’. Three alloy systems were considered for computational optimization and validation, (i) Ni-20Cr (wt.%) base alloy using only solid solution strengthening, (ii) nano-Y2O3 containing Ni-20Cr-1.2Y2O3 (wt.%) alloy for dispersion strengthening and (iii) a sub-micron Al2O3 for composite strengthening, Ni-20Cr-1.2Y2O3-5.0Al2O3 (wt.%). The specimens were synthesized by mechanical alloying and consolidated using spark plasma sintering. Detailed microstructural characterization was done along with initial mechanical properties to validate the computational prediction. A key target property is to have creep rate of 1x10-9 s-1 at 100 MPa and 800oC. The initial results were quite promising and require additional quantification of strengthening contributions from dislocation-particle attractive interaction and load transfer. The observed creep rate was in order of 10-9 s-1 for longer time creep test of Ni-20Cr -1.2Y2O3-5Al2O3, lending support to the overall approach pursued in this project.

  16. Chemistry and Materials Science progress report, first half FY 1992. Weapons-Supporting Research and Laboratory Directed Research and Development

    SciTech Connect (OSTI)

    Not Available

    1992-07-01

    This report contains sections on: Fundamentals of the physics and processing of metals; interfaces, adhesion, and bonding; energetic materials; plutonium research; synchrotron radiation-based materials science; atomistic approach to the interaction of surfaces with the environment: actinide studies; properties of carbon fibers; buried layer formation using ion implantation; active coherent control of chemical reaction dynamics; inorganic and organic aerogels; synthesis and characterization of melamine-formaldehyde aerogels; structural transformation and precursor phenomena in advanced materials; magnetic ultrathin films, surfaces, and overlayers; ductile-phase toughening of refractory-metal intermetallics; particle-solid interactions; electronic structure evolution of metal clusters; and nanoscale lithography induced chemically or physically by modified scanned probe microscopy.

  17. Dr James W Davenport | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    Dr. Davenport joined the Materials Sciences and Engineering Division in 2011 after many years at Brookhaven National Laboratory, where he served as Director of the Computational ...

  18. System-independent characterization of materials using dual-energy computed tomography

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

    Azevedo, Stephen G.; Martz, Jr., Harry E.; Aufderheide, III, Maurice B.; Brown, William D.; Champley, Kyle M.; Kallman, Jeffrey S.; Roberson, G. Patrick; Schneberk, Daniel; Seetho, Isaac M.; Smith, Jerel A.

    2016-02-01

    In this study, we present a new decomposition approach for dual-energy computed tomography (DECT) called SIRZ that provides precise and accurate material description, independent of the scanner, over diagnostic energy ranges (30 to 200 keV). System independence is achieved by explicitly including a scanner-specific spectral description in the decomposition method, and a new X-ray-relevant feature space. The feature space consists of electron density, ρe, and a new effective atomic number, Ze, which is based on published X-ray cross sections. Reference materials are used in conjunction with the system spectral response so that additional beam-hardening correction is not necessary. The techniquemore » is tested against other methods on DECT data of known specimens scanned by diverse spectra and systems. Uncertainties in accuracy and precision are less than 3% and 2% respectively for the (ρe, Ze) results compared to prior methods that are inaccurate and imprecise (over 9%).« less

  19. Computations

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

    ... Software Computations Uncertainty Quantification Stochastic About CRF Transportation Energy Consortiums Engine Combustion Heavy Duty Heavy Duty Low-Temperature & Diesel Combustion ...

  20. Computer

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

    I. INTRODUCTION This paper presents several computational tools required for processing images of a heavy ion beam and estimating the magnetic field within a plasma. The...

  1. computers

    National Nuclear Security Administration (NNSA)

    California.

    Retired computers used for cybersecurity research at Sandia National...

  2. Sandia National Labs: PCNSC: Departments: Small Science Cluster...

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

    Sciences Semiconductor & Optical Sciences Energy Sciences Small Science Cluster Business Office News Partnering ... Nanoscience Program, Basic Energy ScienceMaterials ...

  3. Sandia National Labs: Physical, Chemical and Nano Sciences Center...

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

    Sciences Semiconductor & Optical Sciences Energy Sciences Small Science Cluster Business Office News Partnering Research Departments Radiation, Nano Materials, & Interface Sciences...

  4. Combinatorial Algorithms to Enable Computational Science and Engineering: The CSCAPES Institute

    SciTech Connect (OSTI)

    Pothen, Alex

    2015-01-16

    This final progress report summarizes the work accomplished at the Combinatorial Scientific Computing and Petascale Simulations Institute. We developed Zoltan, a parallel mesh partitioning library that made use of accurate hyeprgraph models to provide load balancing in mesh-based computations. We developed several graph coloring algorithms for computing Jacobian and Hessian matrices and organized them into a software package called ColPack. We developed parallel algorithms for graph coloring and graph matching problems, and also designed multi-scale graph algorithms. Three PhD students graduated, six more are continuing their PhD studies, and four postdoctoral scholars were advised. Six of these students and Fellows have joined DOE Labs (Sandia, Berkeley, as staff scientists or as postdoctoral scientists. We also organized the SIAM Workshop on Combinatorial Scientific Computing (CSC) in 2007, 2009, and 2011 to continue to foster the CSC community.

  5. Science

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

    Wikipedia to forecast diseases November 13, 2014 Los Alamos research published in Public Library of Science LOS ALAMOS, N.M., Nov. 13, 2014-Scientists can now monitor and forecast diseases around the globe more effectively by analyzing views of Wikipedia articles, according to a team from Los Alamos National Laboratory. "A global disease-forecasting system will improve the way we respond to epidemics," scientist Sara Del Valle said. "In the same way we check the weather each

  6. NERSC-ScienceHighlightsDecember2014.pptx

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

    December 2014 NERSC Science Highlights --- 1 --- NERSC User Science Highlights Laser Wakefield World record for compact 'tabletop' particle accelerator reached due in part to NERSC computation (W. Leemans, LBNL) Materials Science A new inexpensive silicon- based semiconductor for solar energy conversion was discovered via NERSC computation (G. Galli, U. Chicago) Climate High-resolution model improves understanding of what has been called the holy grail'' of tropical meteorology. (S. Hagos, PNNL)

  7. Condensed Matter and Materials Physics | U.S. DOE Office of Science...

    Office of Science (SC) Website

    way in which materials respond to external forces such as stress, chemical and electrochemical environments, radiation, and the proximity of materials to surfaces and interfaces. ...

  8. In-Service Design & Performance Prediction of Advanced Fusion Material Systems by Computational Modeling and Simulation

    SciTech Connect (OSTI)

    G. R. Odette; G. E. Lucas

    2005-11-15

    This final report on "In-Service Design & Performance Prediction of Advanced Fusion Material Systems by Computational Modeling and Simulation" (DE-FG03-01ER54632) consists of a series of summaries of work that has been published, or presented at meetings, or both. It briefly describes results on the following topics: 1) A Transport and Fate Model for Helium and Helium Management; 2) Atomistic Studies of Point Defect Energetics, Dynamics and Interactions; 3) Multiscale Modeling of Fracture consisting of: 3a) A Micromechanical Model of the Master Curve (MC) Universal Fracture Toughness-Temperature Curve Relation, KJc(T - To), 3b) An Embrittlement DTo Prediction Model for the Irradiation Hardening Dominated Regime, 3c) Non-hardening Irradiation Assisted Thermal and Helium Embrittlement of 8Cr Tempered Martensitic Steels: Compilation and Analysis of Existing Data, 3d) A Model for the KJc(T) of a High Strength NFA MA957, 3e) Cracked Body Size and Geometry Effects of Measured and Effective Fracture Toughness-Model Based MC and To Evaluations of F82H and Eurofer 97, 3-f) Size and Geometry Effects on the Effective Toughness of Cracked Fusion Structures; 4) Modeling the Multiscale Mechanics of Flow Localization-Ductility Loss in Irradiation Damaged BCC Alloys; and 5) A Universal Relation Between Indentation Hardness and True Stress-Strain Constitutive Behavior. Further details can be found in the cited references or presentations that generally can be accessed on the internet, or provided upon request to the authors. Finally, it is noted that this effort was integrated with our base program in fusion materials, also funded by the DOE OFES.

  9. NERSC-ScienceHighlightsJune2013.ppt

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

    June 2013 NERSC Science Highlights --- 1 --- NERSC User Science Highlights Materials Studies suggest the possibility of solar cells with efficiencies much higher than that available today (J. Galli, UC Davis) Math and Computing New method improves simulations of complex, multiphase phenomena. (J. Sethian, UCB / LBNL) Materials Using computation to improve lithium batteries (K. Leung, Sandia Nat'l Labs) High Energy Physics PLANCK mission changes fundamental understanding of universe's age and

  10. NREL: Photovoltaics Research - New Materials, Devices, and Processes for

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

    Advanced Concepts New Materials, Devices, and Processes for Advanced Concepts Computational Science and Theory We can use high-performance computing tools in modeling and simulation studies of semiconductor and other solar materials. We also determine the performance of solar devices. Theoretical studies can help us understand underlying physical principles or predict useful chemical compositions and crystalline structures. Scientific Computing Experimental Materials Science Solid-State

  11. Energy Sciences

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

    Sciences Our Vision National User Facilities Research Areas In Focus Global Solutions ⇒ Navigate Section Our Vision National User Facilities Research Areas In Focus Global Solutions Chemical Sciences Division Chemistry is the study of matter and the changes it can undergo. Chemical Sciences Division researchers tackle critical scientific issues in chemistry at both the theoretical and experimental levels. Materials Sciences Division Materials Scientists are advancing the fundamental science of

  12. Havery Mudd 2014-2015 Computer Science Conduit Clinic Final Report

    SciTech Connect (OSTI)

    Aspesi, G; Bai, J; Deese, R; Shin, L

    2015-05-12

    Conduit, a new open-source library developed at Lawrence Livermore National Laboratories, provides a C++ application programming interface (API) to describe and access scientific data. Conduit’s primary use is for inmemory data exchange in high performance computing (HPC) applications. Our team tested and improved Conduit to make it more appealing to potential adopters in the HPC community. We extended Conduit’s capabilities by prototyping four libraries: one for parallel communication using MPI, one for I/O functionality, one for aggregating performance data, and one for data visualization.

  13. Material Misfits

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

    Issues submit Material Misfits How well nanocomposite materials align at their interfaces determines what properties they have, opening broad new avenues of materials-science...

  14. Extreme Scale Computing, Co-design

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

    Information Science, Computing, Applied Math » Extreme Scale Computing, Co-design Extreme Scale Computing, Co-design Computational co-design may facilitate revolutionary designs in the next generation of supercomputers. Get Expertise Tim Germann Physics and Chemistry of Materials Email Allen McPherson Energy and Infrastructure Analysis Email Turab Lookman Physics and Condensed Matter and Complex Systems Email Computational co-design involves developing the interacting components of a

  15. Neutron and Nuclear Science News

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

    News Recent news and events related to neutron and nuclear science at LANSCE. Neutron and Nuclear Science News Nuclear and Materials Science Research at LANSCE Nuclear science...

  16. Computations

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

    Computations - 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 Fuel Cycle Defense Waste Management Programs Advanced Nuclear

  17. Center for Nanoscale Materials (CNM) | U.S. DOE Office of Science...

    Office of Science (SC) Website

    ... and utilize their behavior and properties in new energy conversion and power-efficient energy technologies using low-dimensional materials, next-generation photovoltaics, ...

  18. Metals and ceramics division materials science program annual progress report for period ending June 30, 1980

    SciTech Connect (OSTI)

    McHargue, C.J.

    1980-10-01

    Research progress is summarized concerning the structure of metals; deformation and mechanical properties; physical properties and transport phenomena; radiation effects; and engineering materials.

  19. DOE-HDBK-1017/2-93; DOE Fundamentals Handbook Material Science...

    Energy Savers [EERE]

    ... and brittle fracture at low temperatures. The temperature above which a material is ductile ... and heat treatment and the nature and amounts of impurity elements. ...

  20. Damaged Material, Heal Thyself | U.S. DOE Office of Science ...

    Office of Science (SC) Website

    This bioinspired approach could be extended to create highly desired adaptive, resilient materials with possible uses in heat transfer, humidity control, slippery surfaces, and ...

    1. Dynamic Processes in Biology, Chemistry, and Materials Science: Opportunities for UltraFast Transmission Electron Microscopy - Workshop Summary Report

      SciTech Connect (OSTI)

      Kabius, Bernd C.; Browning, Nigel D.; Thevuthasan, Suntharampillai; Diehl, Barbara L.; Stach, Eric A.

      2012-07-25

      This report summarizes a 2011 workshop that addressed the potential role of rapid, time-resolved electron microscopy measurements in accelerating the solution of important scientific and technical problems. A series of U.S. Department of Energy (DOE) and National Academy of Science workshops have highlighted the critical role advanced research tools play in addressing scientific challenges relevant to biology, sustainable energy, and technologies that will fuel economic development without degrading our environment. Among the specific capability needs for advancing science and technology are tools that extract more detailed information in realistic environments (in situ or operando) at extreme conditions (pressure and temperature) and as a function of time (dynamic and time-dependent). One of the DOE workshops, Future Science Needs and Opportunities for Electron Scattering: Next Generation Instrumentation and Beyond, specifically addressed the importance of electron-based characterization methods for a wide range of energy-relevant Grand Scientific Challenges. Boosted by the electron optical advancement in the last decade, a diversity of in situ capabilities already is available in many laboratories. The obvious remaining major capability gap in electron microscopy is in the ability to make these direct in situ observations over a broad spectrum of fast (µs) to ultrafast (picosecond [ps] and faster) temporal regimes. In an effort to address current capability gaps, EMSL, the Environmental Molecular Sciences Laboratory, organized an Ultrafast Electron Microscopy Workshop, held June 14-15, 2011, with the primary goal to identify the scientific needs that could be met by creating a facility capable of a strongly improved time resolution with integrated in situ capabilities. The workshop brought together more than 40 leading scientists involved in applying and/or advancing electron microscopy to address important scientific problems of relevance to DOE’s research mission. This workshop built on previous workshops and included three breakout sessions identifying scientific challenges in biology, biogeochemistry, catalysis, and materials science frontier areas of fundamental science that underpin energy and environmental science that would significantly benefit from ultrafast transmission electron microscopy (UTEM). In addition, the current status of time-resolved electron microscopy was examined, and the technologies that will enable future advances in spatio-temporal resolution were identified in a fourth breakout session.

    2. NREL: Energy Sciences - Materials Science

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

      and processed under atmospheric conditions. This work includes developing inks for inkjet printing of metals (e.g., Ag, Cu, Ni), metal oxides (e.g., ZnO, SnO2, (Ba,Sr)TiO3),...

    3. New trends in chemistry and materials science in extremely tight space

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

      Song, Yang; Manaa, M. Riad

      2012-01-26

      Pressure plays a critical role in regulating the structures and properties of materials. Since Percy Bridgeman was recognized by the 1946 Nobel Prize in Physics for his contribution in high-pressure physics, high-pressure research has remained an interdisciplinary scientific frontier with many extraordinary breakthroughs. Over the past decade or so, in particular, high-pressure chemistry and materials research has undergone major advances with the discovery of numerous exotic structures and properties. Furthermore, brand new classes of inorganic materials of unusual stoichiometries and crystal structures, which have a wide range of optical, mechanical, electronic and magnetic properties, have been produced at high pressures.

    4. DOE Science Showcase: Shape-Memory Materials | OSTI, US Dept of Energy,

      Office of Scientific and Technical Information (OSTI)

      Office of Scientific and Technical Information Showcase: Shape-Memory Materials A new plastic transforms from its original shape (left) through a series of temporary shapes and returns to its initial form. A new plastic transforms from its original shape (left) through a series of temporary shapes and returns to its initial form. Image credit: Oak Ridge National Laboratory Shape-memory materials have the ability to be transformed into another shape and then return to their original shape-or

    5. X-Ray Light Sources | U.S. DOE Office of Science (SC)

      Office of Science (SC) Website

      of areas, including materials science, physical and chemical sciences, metrology, geosciences, environmental sciences, biosciences, medical sciences, and pharmaceutical sciences. ...

    6. The Science of Nuclear Materials: A Modular, Laboratory-based Curriculum

      SciTech Connect (OSTI)

      Cahill, C.L.; Feldman, G.; Briscoe, W.J.

      2014-06-15

      The development of a curriculum for nuclear materials courses targeting students pursuing Master of Arts degrees at The George Washington University is described. The courses include basic concepts such as radiation and radioactivity as well as more complex topics such the nuclear fuel cycle, nuclear weapons, radiation detection and technological aspects of non-proliferation.

    7. Science-Driven Candidate Search for New Scintillator Materials FY 2013 Annual Report

      SciTech Connect (OSTI)

      Gao, Fei; Kerisit, Sebastien N.; Xie, YuLong; Wu, Dangxin; Prange, Micah P.; Van Ginhoven, Renee M.; Campbell, Luke W.; Wang, Zhiguo

      2013-10-01

      This annual report presents work carried out during Fiscal Year (FY) 2013 at Pacific Northwest National Laboratory (PNNL) under the project entitled “Science-Driven Candidate Search for New Scintillator Materials” (Project number: PL13-SciDriScintMat-PD05) and led by Dr. Fei Gao. This project is divided into three tasks, namely (1) Ab initio calculations of electronic properties, electronic response functions and secondary particle spectra; (2) Intrinsic response properties, theoretical light yield, and microscopic description of ionization tracks; and (3) Kinetics and efficiency of scintillation: nonlinearity, intrinsic energy resolution, and pulse shape discrimination. Detailed information on the findings and insights obtained in each of these three tasks are provided in this report. Additionally, papers published this fiscal year or currently in review are included in Appendix together with presentations given this fiscal year.

    8. Science-Driven Candidate Search for New Scintillator Materials: FY 2014 Annual Report

      SciTech Connect (OSTI)

      Kerisit, Sebastien N.; Gao, Fei; Xie, YuLong; Campbell, Luke W.; Wu, Dangxin; Prange, Micah P.

      2014-10-01

      This annual reports presents work carried out during Fiscal Year (FY) 2014 at Pacific Northwest National Laboratory (PNNL) under the project entitled “Science-Driven Candidate Search for New Scintillator Materials” (Project number: PL13-SciDriScintMat-PD05) and led by Drs. Fei Gao and Sebastien N. Kerisit. This project is divided into three tasks: 1) Ab initio calculations of electronic properties, electronic response functions and secondary particle spectra; 2) Intrinsic response properties, theoretical light yield, and microscopic description of ionization tracks; and 3) Kinetics and efficiency of scintillation: nonproportionality, intrinsic energy resolution, and pulse shape discrimination. Detailed information on the results obtained in each of the three tasks is provided in this Annual Report. Furthermore, peer-reviewed articles published this FY or currently under review and presentations given this FY are included in Appendix. This work was supported by the National Nuclear Security Administration, Office of Nuclear Nonproliferation Research and Development (DNN R&D/NA-22), of the U.S. Department of Energy (DOE).

    9. Present and Future Computing Requirements for PETSc

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

      and Future Computing Requirements for PETSc Jed Brown jedbrown@mcs.anl.gov Mathematics and Computer Science Division, Argonne National Laboratory Department of Computer Science, ...

    10. Replica-exchange Wang Landau sampling: pushing the limits of Monte Carlo simulations in materials sciences

      SciTech Connect (OSTI)

      Perera, Meewanage Dilina N; Li, Ying Wai; Eisenbach, Markus; Vogel, Thomas; Landau, David P

      2015-01-01

      We describe the study of thermodynamics of materials using replica-exchange Wang Landau (REWL) sampling, a generic framework for massively parallel implementations of the Wang Landau Monte Carlo method. To evaluate the performance and scalability of the method, we investigate the magnetic phase transition in body-centered cubic (bcc) iron using the classical Heisenberg model parameterized with first principles calculations. We demonstrate that our framework leads to a significant speedup without compromising the accuracy and precision and facilitates the study of much larger systems than is possible with its serial counterpart.

    11. Materials

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

      Materials Materials Access to Hopper Phase II (Cray XE6) If you are a current NERSC user, you are enabled to use Hopper Phase II. Use your SSH client to connect to Hopper II:...

    12. Eligibility | U.S. DOE Office of Science (SC)

      Office of Science (SC) Website

      sciences, biology (non-medical), mathematics, engineering, computer or computational ... sciences, biology (non-medical)1, mathematics, engineering, computer or computational ...

    13. NERSC-ScienceHighlightsMarch2014.pptx

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

      March 2014 NERSC Science Highlights --- 1 --- NERSC User Science Highlights Chemistry Study of Olympics-inspired molecule provides insight into design of improved electronic devices. (A. Kara, U. Central Florida) Energy Computation suggests an approach to improving battery performance using materials that had previously been disregarded (G. Cedar, MIT) Materials Study suggests a route to new metallic structures having huge but tailored magnetic characteristics P. Jena (VCU) Physics Combined

    14. International science conferences in Santa Fe

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

      International science conferences International science conferences in Santa Fe The conference are 2012 International Conference on Defects in Insulating Materials and Computer Simulation of Radiation Effects in Solids. June 22, 2012 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma physics and new materials. Los

    15. CRC handbook of laser science and technology. Volume 5. Optical materials. Part 3. Applications, coatings, and fabrication

      SciTech Connect (OSTI)

      Weber, M.J.

      1987-01-01

      This book describes the uses, coatings, and fabrication of laser materials. Topics considered include: optical waveguide materials; optical storage materials; holographic recording materials; phase conjunction materials; holographic recording materials; phase conjunction materials; laser crystals; laser glasses; quantum counter materials; thin films and coatings; multilayer dielectric coatings; graded-index surfaces and films; optical materials fabrication; fabrication techniques; fabrication procedures for specific materials.

    16. Synchrotron-based X-ray computed tomography during compression loading of cellular materials

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

      Cordes, Nikolaus L.; Henderson, Kevin; Stannard, Tyler; Williams, Jason J.; Xiao, Xianghui; Robinson, Mathew W. C.; Schaedler, Tobias A.; Chawla, Nikhilesh; Patterson, Brian M.

      2015-04-29

      Three-dimensional X-ray computed tomography (CT) of in situ dynamic processes provides internal snapshot images as a function of time. Tomograms are mathematically reconstructed from a series of radiographs taken in rapid succession as the specimen is rotated in small angular increments. In addition to spatial resolution, temporal resolution is important. Thus temporal resolution indicates how close together in time two distinct tomograms can be acquired. Tomograms taken in rapid succession allow detailed analyses of internal processes that cannot be obtained by other means. This article describes the state-of-the-art for such measurements acquired using synchrotron radiation as the X-ray source.

    17. Synchrotron-based X-ray computed tomography during compression loading of cellular materials

      SciTech Connect (OSTI)

      Cordes, Nikolaus L.; Henderson, Kevin; Stannard, Tyler; Williams, Jason J.; Xiao, Xianghui; Robinson, Mathew W. C.; Schaedler, Tobias A.; Chawla, Nikhilesh; Patterson, Brian M.

      2015-04-29

      Three-dimensional X-ray computed tomography (CT) of in situ dynamic processes provides internal snapshot images as a function of time. Tomograms are mathematically reconstructed from a series of radiographs taken in rapid succession as the specimen is rotated in small angular increments. In addition to spatial resolution, temporal resolution is important. Thus temporal resolution indicates how close together in time two distinct tomograms can be acquired. Tomograms taken in rapid succession allow detailed analyses of internal processes that cannot be obtained by other means. This article describes the state-of-the-art for such measurements acquired using synchrotron radiation as the X-ray source.

    18. Theoretical and Computational Studies of Rare Earth Substitutes: A Test-bed for Accelerated Materials Development

      SciTech Connect (OSTI)

      Benedict, Lorin X.

      2015-10-26

      Hard permanent magnets in wide use typically involve expensive Rare Earth elements. In this effort, we investigated candidate permanent magnet materials which contain no Rare Earths, while simultaneously exploring improvements in theoretical methodology which enable the better prediction of magnetic properties relevant for the future design and optimization of permanent magnets. This included a detailed study of magnetocrystalline anisotropy energies, and the use of advanced simulation tools to better describe magnetic properties at elevated temperatures.

    19. Faces of Science: Tim Germann

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

      Tim Germann March 4, 2015 Designing the future of really fast computers 0:53 Faces of Science: Tim Germann While in junior high school, Tim Germann received his first computer, a Commodore VIC-20 with 5 kilobytes of memory-roughly the content of one written page. Decades - 2 - later, Tim is preparing for the exascale computer era, which will bring computing power and memory that are each 12 orders of magnitude greater than the VIC-20. As Director of the Exascale Co-design Center for Materials in

    20. Molecular environmental science using synchrotron radiation:Chemistry and physics of waste form materials

      SciTech Connect (OSTI)

      Lindle, Dennis W.; Shuh, David K.

      2005-02-28

      Production of defense-related nuclear materials has generated large volumes of complex chemical wastes containing a mixture of radionuclides. The disposition of these wastes requires conversion of the liquid and solid-phase components into durable, solid forms suitable for long-term immobilization [1]. Specially formulated glass compositions, many of which have been derived from glass developed for commercial purposes, and ceramics such as pyrochlores and apatites, will be the main recipients for these wastes. The performance characteristics of waste-form glasses and ceramics are largely determined by the loading capacity for the waste constituents (radioactive and non-radioactive) and the resultant chemical and radiation resistance of the waste-form package to leaching (durability). There are unique opportunities for the use of near-edge soft-x-ray absorption fine structure (NEXAFS) spectroscopy to investigate speciation of low-Z elements forming the backbone of waste-form glasses and ceramics. Although nuclear magnetic resonance (NMR) is the primary technique employed to obtain speciation information from low-Z elements in waste forms, NMR is incompatible with the metallic impurities contained in real waste and is thus limited to studies of idealized model systems. In contrast, NEXAFS can yield element-specific speciation information from glass constituents without sensitivity to paramagnetic species. Development and use of NEXAFS for eventual studies of real waste glasses has significant implications, especially for the low-Z elements comprising glass matrices [5-7]. The NEXAFS measurements were performed at Beamline 6.3.1, an entrance-slitless bend-magnet beamline operating from 200 eV to 2000 eV with a Hettrick-Underwood varied-line-space (VLS) grating monochromator, of the Advanced Light Source (ALS) at LBNL. Complete characterization and optimization of this beamline was conducted to enable high-performance measurements.

    1. X-ray Digital Radiography and Computed Tomography of ICF and HEDP Materials, Subassemblies and Targets

      SciTech Connect (OSTI)

      Brown, W D; Martz Jr., H E

      2006-05-31

      Inertial confinement fusion (ICF) and high energy density physics (HEDP) research are being conducted at large laser facilities, such as the University of Rochester's Laboratory for Laser Energetics OMEGA facility and the Lawrence Livermore National Laboratory's (LLNL) National Ignition Facility (NIF). At such facilities, millimeter-sized targets with micrometer structures are studied in a variety of hydrodynamic, radiation transport, equation-of-state, inertial confinement fusion and high-energy density experiments. The extreme temperatures and pressures achieved in these experiments make the results susceptible to imperfections in the fabricated targets. Targets include materials varying widely in composition ({approx}3 < Z < {approx}82), density ({approx}0.03 to {approx}20 g/cm{sup 3}), geometry (planar to spherical) and embedded structures (joints to subassemblies). Fabricating these targets with structures to the tolerances required is a challenging engineering problem the ICF and HEDP community are currently undertaking. Nondestructive characterization (NDC) provides a valuable tool in material selection, component inspection, and the final pre-shot assemblies inspection. X-rays are a key method used to NDC these targets. In this paper we discuss X-ray attenuation, X-ray phase effects, and the X-ray system used, its performance and application to characterize low-temperature Raleigh-Taylor and non-cryogenic double-shell targets.

    2. Ultrafast Probes for Dirac Materials Yarotski, Dmitry Anatolievitch...

      Office of Scientific and Technical Information (OSTI)

      Science(36) Material Science; topological insulators, ultrafast spectroscopy, graphene Material Science; topological insulators, ultrafast spectroscopy, graphene Abstract...

    3. Argonne's Laboratory computing center - 2007 annual report.

      SciTech Connect (OSTI)

      Bair, R.; Pieper, G. W.

      2008-05-28

      Argonne National Laboratory founded the Laboratory Computing Resource Center (LCRC) in the spring of 2002 to help meet pressing program needs for computational modeling, simulation, and analysis. The guiding mission is to provide critical computing resources that accelerate the development of high-performance computing expertise, applications, and computations to meet the Laboratory's challenging science and engineering missions. In September 2002 the LCRC deployed a 350-node computing cluster from Linux NetworX to address Laboratory needs for mid-range supercomputing. This cluster, named 'Jazz', achieved over a teraflop of computing power (1012 floating-point calculations per second) on standard tests, making it the Laboratory's first terascale computing system and one of the 50 fastest computers in the world at the time. Jazz was made available to early users in November 2002 while the system was undergoing development and configuration. In April 2003, Jazz was officially made available for production operation. Since then, the Jazz user community has grown steadily. By the end of fiscal year 2007, there were over 60 active projects representing a wide cross-section of Laboratory expertise, including work in biosciences, chemistry, climate, computer science, engineering applications, environmental science, geoscience, information science, materials science, mathematics, nanoscience, nuclear engineering, and physics. Most important, many projects have achieved results that would have been unobtainable without such a computing resource. The LCRC continues to foster growth in the computational science and engineering capability and quality at the Laboratory. Specific goals include expansion of the use of Jazz to new disciplines and Laboratory initiatives, teaming with Laboratory infrastructure providers to offer more scientific data management capabilities, expanding Argonne staff use of national computing facilities, and improving the scientific reach and performance of Argonne's computational applications. Furthermore, recognizing that Jazz is fully subscribed, with considerable unmet demand, the LCRC has framed a 'path forward' for additional computing resources.

    4. Collaborative Research. Fundamental Science of Low Temperature Plasma-Biological Material Interactions

      SciTech Connect (OSTI)

      Graves, David Barry; Oehrlein, Gottlieb

      2014-09-01

      Low temperature plasma (LTP) treatment of biological tissue is a promising path toward sterilization of bacteria due to its versatility and ability to operate under well-controlled and relatively mild conditions. The present collaborative research of an interdisciplinary team of investigators at University of Maryland, College Park (UMD), and University of California, Berkeley (UCB) focused on establishing our knowledge based with regard to low temperature plasma-induced chemical modifications in biomolecules that result in inactivation due to various plasma species, including ions, reactive radicals, and UV/VUV photons. The overall goals of the project were to identify and quantify the mechanisms by which low and atmospheric pressure plasma deactivates endotoxic biomolecules. Additionally, we wanted to understand the mechanism by which atmospheric pressure plasmas (APP) modify surfaces and how these modifications depend on the interaction of APP with the environment. Various low pressure plasma sources, a vacuum beam system and several atmospheric pressure plasma sources were used to accomplish this. In our work we elucidated for the first time the role of ions, VUV photons and radicals in biological deactivation of representative biomolecules, both in a UHV beam system and an inductively coupled, low pressure plasma system, and established the associated atomistic biomolecule changes. While we showed that both ions and VUV photons can be very efficient in deactivation of biomolecules, significant etching and/or deep modification (~200 nm) accompanied these biological effects. One of the most important findings in this work is the significant radical-induced deactivation and surface modification can occur with minimal etching. However, if radical fluxes and corresponding etch rates are relatively high, for example at atmospheric pressure, endotoxic biomolecule film inactivation may require near-complete removal of the film. These findings motivated further work at atmospheric pressure using several types of low temperature plasma sources, for which radical induced interactions generally dominate due to short mean free paths of ions and VUV photons. For these conditions we demonstrated the importance of environmental interactions when atmospheric pressure plasma sources are used to modify biomolecules. This is evident from both gas phase characterization data and in-situ surface characterization of treated biomolecules. Environmental interactions can produce unexpected outcomes due to the complexity of reactions of reactive species with the atmosphere which determines the composition of reactive fluxes and atomistic changes of biomolecules. Overall, this work clarified a richer spectrum of scientific opportunities and challenges for the field of low temperature plasma-biomolecule surface interactions than initially anticipated, in particular for plasma sources operating at atmospheric pressure. The insights produced in this work, e.g. demonstration of the importance of environmental interactions, are generally important for applications of APP to materials modifications. Thus one major contributions of this research has been the establishment of methodologies to more systematically study the interaction of plasma with bio-molecules. In particular, our studies of atmospheric pressure plasma sources using very well-defined experimental conditions enabled to combine atomistic surface modifications of biomolecules with changes in their biological function. The clarification of the role of ions, VUV photons and radicals in deactivation of biomolecules during low pressure and atmospheric pressure plasma-biomolecule interaction has broad implications, e.g. for the emerging field of plasma medicine. The development of methods to detect the effects of plasma treatment on immune-active biomolecules will be helpful in many future studies.

    5. FY 2009 Annual Report of Joule Software Metric SC GG 3.1/2.5.2, Improve Computational Science Capabilities

      SciTech Connect (OSTI)

      Kothe, Douglas B; Roche, Kenneth J; Kendall, Ricky A

      2010-01-01

      The Joule Software Metric for Computational Effectiveness is established by Public Authorizations PL 95-91, Department of Energy Organization Act, and PL 103-62, Government Performance and Results Act. The U.S. Office of Management and Budget (OMB) oversees the preparation and administration of the President s budget; evaluates the effectiveness of agency programs, policies, and procedures; assesses competing funding demands across agencies; and sets the funding priorities for the federal government. The OMB has the power of audit and exercises this right annually for each federal agency. According to the Government Performance and Results Act of 1993 (GPRA), federal agencies are required to develop three planning and performance documents: 1.Strategic Plan: a broad, 3 year outlook; 2.Annual Performance Plan: a focused, 1 year outlook of annual goals and objectives that is reflected in the annual budget request (What results can the agency deliver as part of its public funding?); and 3.Performance and Accountability Report: an annual report that details the previous fiscal year performance (What results did the agency produce in return for its public funding?). OMB uses its Performance Assessment Rating Tool (PART) to perform evaluations. PART has seven worksheets for seven types of agency functions. The function of Research and Development (R&D) programs is included. R&D programs are assessed on the following criteria: Does the R&D program perform a clear role? Has the program set valid long term and annual goals? Is the program well managed? Is the program achieving the results set forth in its GPRA documents? In Fiscal Year (FY) 2003, the Department of Energy Office of Science (DOE SC-1) worked directly with OMB to come to a consensus on an appropriate set of performance measures consistent with PART requirements. The scientific performance expectations of these requirements reach the scope of work conducted at the DOE national laboratories. The Joule system emerged from this interaction. Joule enables the chief financial officer and senior DOE management to track annual performance on a quarterly basis. Joule scores are reported as success, goal met (green light in PART), mixed results, goal partially met (yellow light in PART), and unsatisfactory, goal not met (red light in PART). Joule links the DOE strategic plan to the underlying base program targets.

    6. Basic Research Needs for Materials Under Extreme Environments. Report of the Basic Energy Sciences Workshop on Materials Under Extreme Environments, June 11-13, 2007

      SciTech Connect (OSTI)

      Wadsworth, J.; Crabtree, G. W.; Hemley, R. J.; Falcone, R.; Robertson, I.; Stringer, J.; Tortorelli, P.; Gray, G. T.; Nicol, M.; Lehr, J.; Tozer, S. W.; Diaz de la Rubia, T.; Fitzsimmons, T.; Vetrano, J. S.; Ashton, C. L.; Kitts, S.; Landson, C.; Campbell, B.; Gruzalski, G.; Stevens, D.

      2008-02-01

      To evaluate the potential for developing revolutionary new materials that will meet demanding future energy requirements that expose materials to environmental extremes.

    7. Materials Sciences and Engineering

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

      Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering ...

    8. Institute for Materials Science

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

      Workshop session in New Mexico room La Fonda AM 2015 Workshop Session La Fonda on the Plaza, Santa Fe, New Mexico LANL Director Charlie McMillan and IMS director Alexander...

    9. Materials Science Foundation

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

      Foundation - 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 Fuel Cycle Defense Waste Management Programs Advanced Nuclear

    10. Institute for Materials Science

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

      Advanced Qualification of Additive Manufacturing poster session seen from above Poster Session for AM 2015 READ MORE Advanced Qualification of Additive Manufacturing workshop poster AM 2015 Workshop READ MORE Workshop session in New Mexico room La Fonda AM 2015 Workshop Session La Fonda on the Plaza, Santa Fe, New Mexico LANL Director Charlie McMillan and IMS director Alexander Balatsky Lab Director Visits IMS Laboratory Director Charlie McMillan in conversation with IMS Director Alexander

    11. Nuclear Materials Science

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

      (acting) Email Group Office (505) 667-4665 Find Expertise header Search our employee skills database The evaluations performed by our group are essential for the nuclear weapons...

    12. Chemistry & Materials Science

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

      greenhouse gas carbon dioxide to small molecules such as formic acid, formaldehyde, and methanol. Read More JiangCummingsCoverLarge.gif Promise for Onion-Like Carbons as...

    13. Molecular Science

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

      Materials Fundamentals Development and application of new computational and experimental approaches in the general areas of chemical synthesis, surface imaging and chemical ...

    14. Extreme Scale Computing, Co-design

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

      Information Science, Computing, Applied Math Extreme Scale Computing, Co-design Extreme Scale Computing, Co-design Computational co-design may facilitate revolutionary designs ...

    15. Computing Videos

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

      Computing Videos Computing

    16. Reference Materials

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

      Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Biological and Environmental Research May 7-8, 2009 Invitation Workshop Invitation Letter...

    17. NERSC Gateways Pave Way for 'Team Science'

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

      NERSC's Science Gateways Pave Way for 'Team Science' NERSC Gateways Pave Way for 'Team Science' Computational scientists at NERSC work with researchers around the globe to develop ...

    18. Extreme Science (LBNL Science at the Theater)

      SciTech Connect (OSTI)

      Ajo-Franklin, Caroline; Klein, Spencer; Minor, Andrew; Torok, Tamas

      2012-02-27

      On Feb. 27, 2012 at the Berkeley Repertory Theatre, four Berkeley Lab scientists presented talks related to extreme science - and what it means to you. Topics include: Neutrino hunting in Antarctica. Learn why Spencer Klein goes to the ends of the Earth to search for these ghostly particles. From Chernobyl to Central Asia, Tamas Torok travels the globe to study microbial diversity in extreme environments. Andrew Minor uses the world's most advanced electron microscopes to explore materials at ultrahigh stresses and in harsh environments. And microbes that talk to computers? Caroline Ajo-Franklin is pioneering cellular-electrical connections that could help transform sunlight into fuel.

    19. Science & Engineering Capabilities

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

      Capabilities /science-innovation/_assets/images/icon-science.jpg Science & Engineering Capabilities These capabilities are our science and engineering at work for the national security interest in areas from global climate to cyber security, from nonproliferation to new materials, from clean energy solutions to supercomputing. Accelerators, Electrodynamics» Energy» Materials Science» Bioscience: Bioenergy, Biosecurity, and Health» Engineering» National Security, Weapons Science»

    20. FAQ Detail | U.S. DOE Office of Science (SC)

      Office of Science (SC) Website

      Innovative & Novel Computational Impact on Theory & Experiement (INCITE) ASCR Leadership Computing Challenge (ALCC) Industrial Users Computational Science Graduate Fellowship ...

    1. Science and Technology Review December 2011 (Technical Report...

      Office of Scientific and Technical Information (OSTI)

      AND FUSION TECHNOLOGY; 99 GENERAL AND MISCELLANEOUSMATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; COMPUTER CALCULATIONS; COMPUTER CODES; COMPUTERIZED SIMULATION; ENERGY; ...

    2. NUG 2014 Science and Technology Presentations

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

      Presentations NUG 2014 Science and Technology Presentations Carter Berkeley Lab Welcomes the NERSC Users' Group February 4, 2014 Jonathan Carter, Berkeley Lab Read More » Skinner3 More Data, More Science ... Moore's Law February 4, 2014 David Skinner, NERSC Read More » Almgren Low Mach Number Models in Computational Astrophysics February 4, 2014 Ann Almgren, Berkeley Lab Read More » Persson2 A Google for Materials February 4, 2014 Kristin Person, Berkeley Lab Read More » Collins Modeling the

    3. Molecular Science Research Center 1992 annual report

      SciTech Connect (OSTI)

      Knotek, M.L.

      1994-01-01

      The Molecular Science Research Center is a designated national user facility, available to scientists from universities, industry, and other national laboratories. After an opening section, which includes conferences hosted, appointments, and projects, this document presents progress in the following fields: chemical structure and dynamics; environmental dynamics and simulation; macromolecular structure and dynamics; materials and interfaces; theory, modeling, and simulation; and computing and information sciences. Appendices are included: MSRC staff and associates, 1992 publications and presentations, activities, and acronyms and abbreviations.

    4. Parallel Programming with MPI | Argonne Leadership Computing...

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

      Parallel Programming with MPI Event Sponsor: Mathematics and Computer Science Division ...permalinksargonne16mpi.php The Mathematics and Computer Science division of ...

    5. Computing Events

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

      Laboratory (pdf) DOENNSA Laboratories Fulfill National Mission with Trinity and Cielo Petascale Computers (pdf) Exascale Co-design Center for Materials in Extreme...

    6. A full-spectral Bayesian reconstruction approach based on the material decomposition model applied in dual-energy computed tomography

      SciTech Connect (OSTI)

      Cai, C.; Rodet, T.; Mohammad-Djafari, A.; Legoupil, S.

      2013-11-15

      Purpose: Dual-energy computed tomography (DECT) makes it possible to get two fractions of basis materials without segmentation. One is the soft-tissue equivalent water fraction and the other is the hard-matter equivalent bone fraction. Practical DECT measurements are usually obtained with polychromatic x-ray beams. Existing reconstruction approaches based on linear forward models without counting the beam polychromaticity fail to estimate the correct decomposition fractions and result in beam-hardening artifacts (BHA). The existing BHA correction approaches either need to refer to calibration measurements or suffer from the noise amplification caused by the negative-log preprocessing and the ill-conditioned water and bone separation problem. To overcome these problems, statistical DECT reconstruction approaches based on nonlinear forward models counting the beam polychromaticity show great potential for giving accurate fraction images.Methods: This work proposes a full-spectral Bayesian reconstruction approach which allows the reconstruction of high quality fraction images from ordinary polychromatic measurements. This approach is based on a Gaussian noise model with unknown variance assigned directly to the projections without taking negative-log. Referring to Bayesian inferences, the decomposition fractions and observation variance are estimated by using the joint maximum a posteriori (MAP) estimation method. Subject to an adaptive prior model assigned to the variance, the joint estimation problem is then simplified into a single estimation problem. It transforms the joint MAP estimation problem into a minimization problem with a nonquadratic cost function. To solve it, the use of a monotone conjugate gradient algorithm with suboptimal descent steps is proposed.Results: The performance of the proposed approach is analyzed with both simulated and experimental data. The results show that the proposed Bayesian approach is robust to noise and materials. It is also necessary to have the accurate spectrum information about the source-detector system. When dealing with experimental data, the spectrum can be predicted by a Monte Carlo simulator. For the materials between water and bone, less than 5% separation errors are observed on the estimated decomposition fractions.Conclusions: The proposed approach is a statistical reconstruction approach based on a nonlinear forward model counting the full beam polychromaticity and applied directly to the projections without taking negative-log. Compared to the approaches based on linear forward models and the BHA correction approaches, it has advantages in noise robustness and reconstruction accuracy.

    7. BES Science Network Requirements

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

      Network Requirements Report of the Basic Energy Sciences Network Requirements Workshop Conducted June 4-5, 2007 BES Science Network Requirements Workshop Basic Energy Sciences Program Office, DOE Office of Science Energy Sciences Network Washington, DC - June 4 and 5, 2007 ESnet is funded by the US Dept. of Energy, Office of Science, Advanced Scientific Computing Research (ASCR) program. Dan Hitchcock is the ESnet Program Manager. ESnet is operated by Lawrence Berkeley National Laboratory, which

    8. Energy Sciences Network (ESnet) | U.S. DOE Office of Science (SC)

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

      Energy Sciences Network (ESnet) Advanced Scientific Computing Research (ASCR) ASCR Home About Research Facilities User Facilities Argonne Leadership Computing Facility (ALCF) Energy Sciences Network (ESnet) National Energy Research Scientific Computing Center (NERSC) Oak Ridge Leadership Computing Facility (OLCF) Accessing ASCR Facilities Computational Science Graduate Fellowship (CSGF) Research & Evaluation Prototypes (REP) Science Highlights Benefits of ASCR Funding Opportunities Advanced

    9. CRC handbook of laser science and technology. Volume 3. Optical materials, Part 1 - Nonlinear optical properties/radiation damage

      SciTech Connect (OSTI)

      Weber, M.J.

      1986-01-01

      This book examines the nonlinear optical properties of laser materials. The physical radiation effects on laser materials are also considered. Topics considered include: nonlinear optical properties; nonlinear and harmonic generation materials; two-photon absorption; nonlinear refractive index; stimulated Raman scattering; radiation damage; crystals; and glasses.

    10. Open Science Grid at NERSC

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

      Open Science Grid Open Science Grid at NERSC NERSC provides computing to Open Science Grid (OSG) users through a special allocation. OSG Users must submit an OSG new user request ...

    11. Argonne's Laboratory computing resource center : 2006 annual report.

      SciTech Connect (OSTI)

      Bair, R. B.; Kaushik, D. K.; Riley, K. R.; Valdes, J. V.; Drugan, C. D.; Pieper, G. P.

      2007-05-31

      Argonne National Laboratory founded the Laboratory Computing Resource Center (LCRC) in the spring of 2002 to help meet pressing program needs for computational modeling, simulation, and analysis. The guiding mission is to provide critical computing resources that accelerate the development of high-performance computing expertise, applications, and computations to meet the Laboratory's challenging science and engineering missions. In September 2002 the LCRC deployed a 350-node computing cluster from Linux NetworX to address Laboratory needs for mid-range supercomputing. This cluster, named 'Jazz', achieved over a teraflop of computing power (10{sup 12} floating-point calculations per second) on standard tests, making it the Laboratory's first terascale computing system and one of the 50 fastest computers in the world at the time. Jazz was made available to early users in November 2002 while the system was undergoing development and configuration. In April 2003, Jazz was officially made available for production operation. Since then, the Jazz user community has grown steadily. By the end of fiscal year 2006, there were 76 active projects on Jazz involving over 380 scientists and engineers. These projects represent a wide cross-section of Laboratory expertise, including work in biosciences, chemistry, climate, computer science, engineering applications, environmental science, geoscience, information science, materials science, mathematics, nanoscience, nuclear engineering, and physics. Most important, many projects have achieved results that would have been unobtainable without such a computing resource. The LCRC continues to foster growth in the computational science and engineering capability and quality at the Laboratory. Specific goals include expansion of the use of Jazz to new disciplines and Laboratory initiatives, teaming with Laboratory infrastructure providers to offer more scientific data management capabilities, expanding Argonne staff use of national computing facilities, and improving the scientific reach and performance of Argonne's computational applications. Furthermore, recognizing that Jazz is fully subscribed, with considerable unmet demand, the LCRC has framed a 'path forward' for additional computing resources.

    12. SSRL Science Highlights Archive | Stanford Synchrotron Radiation...

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

      Science Highlights Archive Approximately 1,600 scientists visit SSRL annually to conduct experiments in broad disciplines including life sciences, materials, environmental science,...

    13. Computational Spectroscopy of Heterogeneous Interfaces | Argonne Leadership

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

      Computing Facility Complex interfaces between nanoparticles and a solvent Complex interfaces between nanoparticles and a solvent. N. Brawand, University of Chicago Computational Spectroscopy of Heterogeneous Interfaces PI Name: Giulia Galli PI Email: gagalli@uchicago.edu Institution: University of Chicago Allocation Program: INCITE Allocation Hours at ALCF: 150 Million Year: 2016 Research Domain: Materials Science The interfaces between solids, nanoparticles and liquids play a fundamental

    14. Basic Energy Sciences Update

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

      Operations Office of Science Vacant Patricia Dehmer (A) Nuclear Physics Tim Hallman Advanced Scientific Computing Research Steve Binkley Nuclear Energy Pete Lyons Fossil Energy...

    15. Careers | Argonne Leadership Computing Facility

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

      At the Argonne Leadership Computing Facility, we are helping to redefine what's possible in computational science. With some of the most powerful supercomputers in the world and a ...

    16. Edison Electrifies Scientific Computing

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

      ... Deployment of Edison was made possible in part by funding from DOE's Office of Science and the DARPA High Productivity Computing Systems program. DOE's Office of Science is the ...

    17. BER Science Network Requirements

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

      BER Science Network Requirements Report of the Biological and Environmental Research Network Requirements Workshop Conducted July 26 and 27, 2007 BER Science Network Requirements Workshop Biological and Environmental Research Program Office, DOE Office of Science Energy Sciences Network Bethesda, MD - July 26 and 27, 2007 ESnet is funded by the US Dept. of Energy, Office of Science, Advanced Scientific Computing Research (ASCR) program. Dan Hitchcock is the ESnet Program Manager. ESnet is

    18. Paul C. Messina | Argonne Leadership Computing Facility

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

      He led the Computational and Computer Science component of Caltech's research project funded by the Academic Strategic Alliances Program of the Accelerated Strategic Computing ...

    19. Computing and Computational Sciences Directorate - Visitor Information

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

      Ridge National Laboratory from both directions, is now closed to the public. If you are planning a visit to ORNL, your host will arrange for you to proceed past entrance stations...

    20. Computing and Computational Sciences Directorate - Information...

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

      text analysis, data analytics, data fusion, population dynamics, emergent behavior in social systems, agent-based and discrete-event simulations, cyber security, and quantum...

    1. Computing and Computational Sciences Directorate - Employment Opportunities

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

      Home Employment Opportunities

    2. Computing and Computational Sciences Directorate - Projects

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

      Organization Charts CCSD Org Chart (pdf)

    3. Computing and Computational Sciences Directorate - National Center...

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

      peers due to its hybrid architecture-a combination of GPUs, traditionally used in video games, and the more conventional central processing units (CPUs) that have served as number...

    4. Computing and Computational Sciences Directorate - Information...

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

      NVIDIA Highlights GPU Progress on Titan Supercomputer The Top Supercomputing Led ... Led by Director Jim Hack and Deputy Director Dave Bader, the Institute will integrate ...

    5. Photo Gallery: National Labs and the Science Behind Nuclear Security...

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

      computing; national security; engines; alternative fuels; environmental science; physics; chemistry and biological sciences. Image: Photo courtesy of Argonne...

    6. Earth Sciences report, 1989--1990

      SciTech Connect (OSTI)

      Younker, L.W.; Peterson, S.J.; Price, M.E.

      1991-03-01

      The Earth Sciences Department at Lawrence Livermore National Laboratory (LLNL) conducts work in support of the Laboratory's energy, defense, environmental, and basic research programs. The Department comprises more than 100 professional scientific personnel spanning a variety of subdisciplines: geology, seismology, physics, geophysics, geochemistry, geohydrology, chemical engineering, and mechanical engineering. Resident technical support groups add significant additional technical expertise, including Containment Engineering, Computations, Electronic Engineering, Mechanical Engineering, Chemistry and Materials Science, and Technical Information. In total, approximately 180 professional scientists and engineers are housed in the Earth Sciences Department, making it one of the largest geo-science research groups in the nation. Previous Earth Sciences reports have presented an outline of the technical capabilities and accomplishments of the groups within the Department. In this FY 89/90 Report, we have chosen instead to present twelve of our projects in full-length technical articles. This Overview introduces those articles and highlights other significant research performed during this period.

    7. Energy Frontier Research Center Materials Science of Actinides (A "Life at the Frontiers of Energy Research" contest entry from the 2011 Energy Frontier Research Centers (EFRCs) Summit and Forum)

      ScienceCinema (OSTI)

      Burns, Peter (Director, Materials Science of Actinides); MSA Staff

      2011-11-03

      'Energy Frontier Research Center Materials Science of Actinides' was submitted by the EFRC for Materials Science of Actinides (MSA) to the 'Life at the Frontiers of Energy Research' video contest at the 2011 Science for Our Nation's Energy Future: Energy Frontier Research Centers (EFRCs) Summit and Forum. Twenty-six EFRCs created short videos to highlight their mission and their work. MSA is directed by Peter Burns at the University of Notre Dame, and is a partnership of scientists from ten institutions.The Office of Basic Energy Sciences in the U.S. Department of Energy's Office of Science established the 46 Energy Frontier Research Centers (EFRCs) in 2009. These collaboratively-organized centers conduct fundamental research focused on 'grand challenges' and use-inspired 'basic research needs' recently identified in major strategic planning efforts by the scientific community. The overall purpose is to accelerate scientific progress toward meeting the nation's critical energy challenges.

    8. Energy Frontier Research Center Materials Science of Actinides (A "Life at the Frontiers of Energy Research" contest entry from the 2011 Energy Frontier Research Centers (EFRCs) Summit and Forum)

      SciTech Connect (OSTI)

      Burns, Peter; MSA Staff

      2011-05-01

      'Energy Frontier Research Center Materials Science of Actinides' was submitted by the EFRC for Materials Science of Actinides (MSA) to the 'Life at the Frontiers of Energy Research' video contest at the 2011 Science for Our Nation's Energy Future: Energy Frontier Research Centers (EFRCs) Summit and Forum. Twenty-six EFRCs created short videos to highlight their mission and their work. MSA is directed by Peter Burns at the University of Notre Dame, and is a partnership of scientists from ten institutions.The Office of Basic Energy Sciences in the U.S. Department of Energy's Office of Science established the 46 Energy Frontier Research Centers (EFRCs) in 2009. These collaboratively-organized centers conduct fundamental research focused on 'grand challenges' and use-inspired 'basic research needs' recently identified in major strategic planning efforts by the scientific community. The overall purpose is to accelerate scientific progress toward meeting the nation's critical energy challenges.

    9. DOE Office of Science Funded Basic Research at NREL that Impacts Photovoltaic Technologies

      SciTech Connect (OSTI)

      Deb, S. K.

      2005-01-01

      The DOE Office of Science, Basic Energy Sciences, supports a number of basic research projects in materials, chemicals, and biosciences at the National Renewable Energy Laboratory (NREL) that impact several renewable energy technologies, including photovoltaics (PV). The goal of the Material Sciences projects is to study the structural, optical, electrical, and defect properties of semiconductors and related materials using state-of-the-art experimental and theoretical techniques. Specific projects involving PV include: ordering in III-V semiconductors, isoelectronic co-doping, doping bottlenecks in semiconductors, solid-state theory, and computational science. The goal of the Chemical Sciences projects is to advance the fundamental understanding of the relevant science involving materials, photochemistry, photoelectrochemistry, nanoscale chemistry, and catalysis that support solar photochemical conversion technologies. Specific projects relating to PV include: dye-sensitized TiO2 solar cells, semiconductor nanostructures, and molecular semiconductors. This presentation will give an overview of some of the major accomplishments of these projects.

    10. Chemistry and materials science progress report. Weapons-supporting research and laboratory directed research and development: FY 1995

      SciTech Connect (OSTI)

      NONE

      1996-04-01

      This report covers different materials and chemistry research projects carried out a Lawrence Livermore National Laboratory during 1995 in support of nuclear weapons programs and other programs. There are 16 papers supporting weapons research and 12 papers supporting laboratory directed research.

    11. Michael Stone | U.S. DOE Office of Science (SC)

      Office of Science (SC) Website

      is serving his fellowship in the National Science Foundation (NSF) Directorate for Computer and Information Science and Engineering (CISE) Computer and Network Systems....

    12. Computational and Theoretical Chemistry | U.S. DOE Office of...

      Office of Science (SC) Website

      Computational and Theoretical Chemistry Chemical Sciences, Geosciences, & Biosciences ... Molecular Sciences and Gas Phase Chemical Physics programs-which together comprise ...

    13. Nomination & Selection Guidelines | U.S. DOE Office of Science...

      Office of Science (SC) Website

      Atomic, Molecular, and Chemical Sciences Biological and Environmental Sciences Computer, ... Selection of the award category for the nominee (Atomic, Molecular, and Chemical Sciences; ...

    14. Chemical Science

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

      Chemical Science science-innovationassetsimagesicon-science.jpg Chemical Science National security depends on science and technology. The United States relies on Los Alamos ...

    15. Impact compaction of a granular material

      SciTech Connect (OSTI)

      Fenton, Gregg; Asay, Blaine; Dalton, Devon

      2015-05-19

      The dynamic behavior of granular materials has importance to a variety of engineering applications. Structural seismic coupling, planetary science, and earth penetration mechanics, are just a few of the application areas. Although the mechanical behavior of granular materials of various types have been studied extensively for several decades, the dynamic behavior of such materials remains poorly understood. High-quality experimental data are needed to improve our general understanding of granular material compaction physics. This study will describe how an instrumented plunger impact system can be used to measure pressure-density relationships for model materials at high and controlled strain rates and subsequently used for computational modeling.

    16. Intro to computer programming, no computer required! | Argonne...

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

      ... "Computational thinking requires you to think in abstractions," said Papka, who spoke to computer science and computer-aided design students at Kaneland High School in Maple Park about ...

    17. The Ames Laboratory Creating Materials and Energy Solutions

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

      Solutions Duane Johnson, Chief Research Officer 311 TASF Ames, IA 50011 cro@ameslab.gov 515-294-2770 Theory and CompuTaTional SCienCeS Got GAMESS? Computational materials discovery, design, and characterization relies on advanced theories, innovative algorithms and associated software that predict material and chemical properties. All are areas in which Ames Laboratory excels. Quantum chemistry: General Atomic and Molecular Electronic Structure System (GAMESS) is a leading ab initio quantum

    18. ARM - 1997 ARM Science Team Meeting

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

      in San Antonio, Texas. This year the ARM Science Team Meeting and the Computer Hardware, Advanced Mathematics and Model Physics (CHAMMP) science team meetings were held jointly....

    19. Dateline Los Alamos: Top Science News

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

      Science News of 2014 December 22, 2014 Dateline Los Alamos: Top Science News of 2014 Biosurveillance, secure computing, alternative energy, unique capabilities highlight the year....

    20. INCITE Awards Announcement Video | U.S. DOE Office of Science...

      Office of Science (SC) Website

      Innovative & Novel Computational Impact on Theory & Experiement (INCITE) ASCR Leadership Computing Challenge (ALCC) Industrial Users Computational Science Graduate Fellowship ...