DOE News
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    The DOE Science News Source is a Newswise initiative to promote research news from the Office of Science of the DOE to the public and news media.
    • 2019-06-14 14:05:06
    • Article ID: 714394

    Energy Department to Invest $32 Million in Computer Design of Materials

    Researchers to Take Advantage of DOE's Advanced Supercomputers

    The U.S. Department of Energy announced that it will invest $32 million over the next four years to accelerate the design of new materials through use of supercomputers.

    Seven projects will be supported, three led by teams at DOE National Laboratories and four by Universities.  The teams are led by Argonne National Laboratory (ANL), Brookhaven National Laboratory (BNL) and Lawrence Livermore National Laboratory (LLNL) as well as the University of Illinois, the Pennsylvania State University, the University of Texas and the University of Southern California.

    These projects will develop widely applicable open source software utilizing DOE’s current leadership class and future exascale computing facilities.  The goal is to provide the software platforms and data for the design of new functional materials with a broad range of applications, including alternative and renewable energy, electronics, data storage and materials for quantum information science.

    The new awards are part of DOE’s Computational Materials Sciences (CMS) program, begun in 2015 to reflect the enormous recent growth in computing power and the increasing capability of high-performance computers to model and simulate the behavior of matter at the atomic and molecular scales.

    “High performance computing has become an increasingly powerful tool of scientific discovery and technological innovation, and our capabilities continue to grow,” said Under Secretary for Science Paul Dabbar.  “These projects will harness America’s leadership in supercomputing to deliver a new generation of materials for energy and a wide range of other applications.”

    Researchers are expected to make use of current generation petaflop supercomputers and prepare for next-generation exaflop machines scheduled for deployment in the early 2020s.  Current machines include the 200-petaflop Summit computer at the Oak Ridge Leadership Computing Facility (OLCF), the 11-petaflop Theta computer at the Argonne Leadership Computing Facility (ALCF), and the 30-petaflop Cori machine at the National Energy Research Scientific Computing center (NERSC) at Lawrence Berkeley National Laboratory (LBNL). OLCF, ALCF, and NERSC are all DOE Office of Science user facilities.  A petaflop is a million-billion floating-point operations per second.  An exaflop is a billion-billion calculations.

    Research will combine theory and software development with experimental validation, drawing on the resources of multiple DOE Office of Science user facilities, including the Advanced Light Source at LBNL, the Advanced Photon Source at ANL, the Spallation Neutron Source at Oak Ridge National Laboratory, the Linac Coherent Light Source at SLAC National Accelerator Facility and several of the five Nanoscale Science Research Centers across the DOE national laboratory complex.

    Funding for the new projects will total $8 million in Fiscal Year 2019.  Subsequent annual funding will be contingent on available appropriations and project performance. 

    Projects were chosen by competitive peer review under a DOE Funding Opportunity Announcement for Computational Materials Sciences.  The CMS program is managed by the Department’s Office of Science through its Office of Basic Energy Sciences. Projects announced today are selections for negotiation of financial award. The final details for each project award are subject to final grant and contract negotiations between DOE and the awardees.  A list of awards can be found here.

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    Shake, rattle, roll: Turbulence found to disrupt the crucial magnetic fields in fusion energy devices

    Shake, rattle, roll: Turbulence found to disrupt the crucial magnetic fields in fusion energy devices

    Scientists at PPPL have discovered that turbulence may play an increased role in affecting the self-driven, or bootstrap, current in plasma that is necessary for tokamak fusion reactions.

    Bio-circuitry mimics synapses and neurons in a step toward sensory computing

    Bio-circuitry mimics synapses and neurons in a step toward sensory computing

    Researchers at the Department of Energy's Oak Ridge National Laboratory, the University of Tennessee and Texas A&M University demonstrated bio-inspired devices that accelerate routes to neuromorphic, or brain-like, computing.

    Staircase to the stars: Turbulence in fusion plasmas may not be all bad

    Staircase to the stars: Turbulence in fusion plasmas may not be all bad

    Surprise discovery shows that turbulence at the edge of the plasma may facilitate production of fusion energy.

    Study shows a much cheaper catalyst can generate hydrogen in a commercial device

    Study shows a much cheaper catalyst can generate hydrogen in a commercial device

    SLAC and Stanford researchers have shown for the first time that a cheap catalyst can split water and generate hydrogen gas for hours on end in the harsh environment of a commercial electrolyzer - a step toward large-scale hydrogen production for fuel, fertilizer and industry.

    Unlocking the Biochemical Treasure Chest Within Microbes

    Unlocking the Biochemical Treasure Chest Within Microbes

    An international team of scientists lead by the Joint Genome Institute has developed a genetic engineering tool that makes producing and analyzing microbial secondary metabolites - the basis for many important agricultural, industrial, and medical products - much easier than before, and could even lead to breakthroughs in biomanufacturing.

    Scientists Pinpoint Cause of Harmful Dendrites and Whiskers in Lithium Batteries

    Scientists Pinpoint Cause of Harmful Dendrites and Whiskers in Lithium Batteries

    Scientists have uncovered a root cause of the growth of needle-like structures--known as dendrites and whiskers--that plague lithium batteries, sometimes causing a short circuit or failure. The defects are a major factor holding back the batteries from broader widespread use and further improvement.

    Argonne and University of Illinois to form hydrogen fuel cell coalition

    Argonne and University of Illinois to form hydrogen fuel cell coalition

    Argonne and University of Illinois announce intent to form the Midwest Hydrogen and Fuel Cell Coalition.

    Six Degrees of Nuclear Separation

    Six Degrees of Nuclear Separation

    For the first time, Argonne scientists have printed 3D parts that pave the way to recycling up to 97 percent of the waste produced by nuclear reactors. From left to right: Peter Kozak, Andrew Breshears, M Alex Brown, co-authors of a recent Scientific Reports article detailing their breakthrough. (Image by Argonne National Laboratory.)

    Shaping nanoparticles for improved quantum information technology

    Shaping nanoparticles for improved quantum information technology

    Argonne researchers find that semiconductor nanoparticles in the shape of rings have attractive properties for quantum networking and computation.

    Science Snapshots - Waste to fuel, moire superlattices, mining cellphones for energy data

    Science Snapshots - Waste to fuel, moire superlattices, mining cellphones for energy data

    Science Snapshots - Waste to fuel, moire superlattices, mining cellphones for energy data


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    Jefferson Lab Establishes New Fellowships in Nuclear Physics and Accelerator Science

    Jefferson Lab Establishes New Fellowships in Nuclear Physics and Accelerator Science

    The Department of Energy's Thomas Jefferson National Accelerator Facility is fostering innovation and growth in nuclear and accelerator physics by expanding its prestigious fellowship program for early career physicists. The lab is doubling the number of Nathan Isgur fellowships and is establishing a new fellowship in honor of Jefferson Lab's first director, Hermann A. Grunder.

    Barbara Jacak Receives 2019 Distinguished Scientist Fellow Award

    Barbara Jacak Receives 2019 Distinguished Scientist Fellow Award

    Barbara Jacak, director of Lawrence Berkeley National Laboratory's Nuclear Science Division since 2015, has been named a 2019 Distinguished Scientist Fellow by the U.S. Department of Energy's Office of Science.

    Two Brookhaven Lab Scientists Named DOE Office of Science Distinguished Fellows

    Two Brookhaven Lab Scientists Named DOE Office of Science Distinguished Fellows

    Scientists from the U.S. Department of Energy's (DOE) Brookhaven National Laboratory have garnered two out of five "Distinguished Scientists Fellow" awards announced today by the DOE's Office of Science. Theoretical physicist Sally Dawson, a world-leader in calculations aimed at describing the properties of the Higgs boson, and Jose Rodriguez, a renowned chemist exploring and developing catalysts for energy-related reactions, will each receive $1 million in funding over three years to pursue new research objectives within their respective fields.

    Department of Energy Announces Private-Public Awards to Advance Fusion Energy Technology

    The U.S. Department of Energy (DOE) announced funding for 12 projects with private industry to enable collaboration with DOE national laboratories on overcoming challenges in fusion energy development. The awards are the first provided through the Innovation Network for Fusion Energy program (INFUSE).

    Denisov Leads High Energy Physics at Brookhaven

    Denisov Leads High Energy Physics at Brookhaven

    Dmitri Denisov, a leading physicist and spokesperson of the DZero experiment, has been named Deputy Associate Lab Director for High Energy Physics at the U.S. Department of Energy's (DOE) Brookhaven National Laboratory.

    Chemistry Postdoc Receives Battery500 Young Investigator Award

    Chemistry Postdoc Receives Battery500 Young Investigator Award

    Zulipiya Shadike, a postdoctoral fellow in the Chemistry Division at the U.S. Department of Energy's (DOE) Brookhaven National Laboratory, received a Young Investigator Award from the Battery500 Consortium, a DOE-sponsored consortium led by Pacific Northwest National Laboratory (PNNL) that aims to improve electric vehicle batteries.

    Two Brookhaven Lab Scientists Named Fellows of the American Physical Society

    Two Brookhaven Lab Scientists Named Fellows of the American Physical Society

    The American Physical Society (APS) has elected two scientists from Brookhaven National Laboratory as 2019 APS fellows.

    Versatile physics leader Stefan Gerhardt elected an APS fellow

    Versatile physics leader Stefan Gerhardt elected an APS fellow

    Profile of physicist Stefan Gerhardt who has been elected a 2019 fellow of the American Physical Society.

    PNNL, Sandia, and Georgia Tech Join Forces in AI Effort

    PNNL, Sandia, and Georgia Tech Join Forces in AI Effort

    Scientists from DOE's Pacific Northwest National Laboratory, DOE's Sandia National Laboratories, and the Georgia Institute of Technology will collaborate on solutions to some of the most challenging problems in AI today, thanks to $5.5 million in funding from DOE.

    Argonne Receives More Than $1 Million for Quantum Information Science

    Argonne Receives More Than $1 Million for Quantum Information Science

    Argonne scientists receive $1.19 million from DOE for quantum research.


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    Tune in to Tetrahedral Superstructures

    Tune in to Tetrahedral Superstructures

    Shape affects how the particles fit together and, in turn, the resulting material. For the first time, a team observed the self-assembly of nanoparticles with tetrahedral shapes.

    Tracing Interstellar Dust Back to the Solar System's Formation

    Tracing Interstellar Dust Back to the Solar System's Formation

    This study is the first to confirm dust particles pre-dating the formation of our solar system. Further study of these materials will enable a deeper understanding of the processes that formed and have since altered them.

    Investigating Materials that Can Go the Distance in Fusion Reactors

    Investigating Materials that Can Go the Distance in Fusion Reactors

    Future fusion reactors will require materials that can withstand extreme operating conditions, including being bombarded by high-energy neutrons at high temperatures. Scientists recently irradiated titanium diboride (TiB2) in the High Flux Isotope Reactor (HFIR) to better understand the effects of fusion neutrons on performance.

    Better 3-D Imaging of Tumors in the Breast with Less Radiation

    Better 3-D Imaging of Tumors in the Breast with Less Radiation

    In breast cancer screening, an imaging technique based on nuclear medicine is currently being used as a successful secondary screening tool alongside mammography to improve the accuracy of the diagnosis. Now, a team is hoping to improve this imaging technique.

    Microbes are Metabolic Specialists

    Microbes are Metabolic Specialists

    Scientists can use genetic information to measure if microbes in the environment can perform specific ecological roles. Researchers recently analyzed the genomes of over 6,000 microbial species.

    Even Hard Materials Have Soft Spots

    Even Hard Materials Have Soft Spots

    The Achilles Heel of "metallic glasses" is that while they are strong materials--even stronger than conventional steels--they are also very brittle. The initial failures tend to be localized and catastrophic. This is due to their random amorphous (versus ordered crystalline) atomic structure. Computer simulations revealed that the structure is not completely random, however, and that there are some regions in the structure that are relatively weak. Defects nucleate more easily in these regions, which can lead to failure. This understanding of the mechanical properties has led to a strategy for making the material stronger and less brittle.

    2-D Atoms Do the Twist

    2-D Atoms Do the Twist

    In the study, scientists demonstrated, for the first time, an intrinsically rotating form of motion for the atoms in a crystal. The observations were on collective excitations of a single molecular layer of tungsten diselenide. Whether the rotation is clockwise or counter-clockwise depends on the wave's propagation direction.

    Location, Location, Location... How charge placement can control a self-assembled structure

    Location, Location, Location... How charge placement can control a self-assembled structure

    For years, scientists have formed polymers using the interaction of charges on molecular chains to determine the shape, geometry, and other properties. Now, a team achieved precise and predictable control of molecular chains by positioning charges. Their method leads to particles with reproducible sizes.

    Cracking in Harsh Environments Needs Stress and Corrosion, But Not at the Same Time

    Cracking in Harsh Environments Needs Stress and Corrosion, But Not at the Same Time

    Alloys (metals combining two or more metallic elements) are typically stronger and less susceptible to cracking than pure metals. Yet when alloys are subjected to stress and a harsh chemical environment, the alloy can fail. The reason? Cracks caused by corrosion.

    Simultaneous Clean and Repair

    Simultaneous Clean and Repair

    Scientists have developed a novel and efficient approach to surface cleaning, materials transport, and repair.


    Spotlight

    Barbara Garcia: A first-generation college student spends summer doing research at PPPL
    Tuesday September 24, 2019, 04:05 PM

    Barbara Garcia: A first-generation college student spends summer doing research at PPPL

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    Argonne organization's scholarship fund blazes STEM pathway
    Tuesday September 17, 2019, 05:05 PM

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    Brookhaven Lab, Suffolk Girl Scouts Launch Patch Program
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    From an acoustic levitator to a
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    Brookhaven Lab Celebrates the Bright Future of its 2019 Interns
    Friday August 30, 2019, 10:00 AM

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    PPPL apprenticeship program offers young people chance to earn while they learn high-tech careers
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    Creating a diverse pipeline
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    JSA Awards Graduate Fellowships for Research at Jefferson Lab
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    ILSAMP Symposium showcases benefits for diverse students, STEM pipeline
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    Monday May 13, 2019, 11:05 AM

    Integrating Scientific Computing into Science Curricula

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    Monday April 29, 2019, 02:05 PM

    Students from Minnesota and Massachusetts Win DOE's 29th National Science Bowl(r)

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    Friday April 12, 2019, 03:05 PM

    DOE's Science Graduate Student Research Program Selects 70 Students to Pursue Research at DOE Laboratories

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    Young Women's Conference in STEM seeks to change the statistics one girl at a time
    Thursday March 28, 2019, 03:05 PM

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    Lynbrook High wins 2019 SLAC Regional Science Bowl competition
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    Argonne intern streamlines the beamline
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    Research on Light-Matter Interaction Could Lead to Improved Electronic and Optoelectronic Devices
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    Physics graduate student takes her thesis research to a Department of Energy national lab
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    Writing Code for a More Skilled and Diverse STEM Workforce
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    New graduate student summer school launches at Princeton Plasma Physics Laboratory
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    Argonne hosts Modeling, Experimentation and Validation Summer School
    Friday August 24, 2018, 11:05 AM

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    Students affected by Hurricane Maria bring their research to SLAC
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    CSUMB Selected to Host Architecture at Zero Competition in 2019
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