Exploring Cr and molten salt interfacial interactions for molten salt applications.

Autor: Liu X; Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, NY, USA. Karen.Chen-Wiegart@stonybrook.edu., Liu Y; Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, NY, USA. Karen.Chen-Wiegart@stonybrook.edu., Gibson LD; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Ge M; National Synchrotron Light Source II (NSLS-II), Brookhaven National Laboratory, Upton, NY, USA., Olds D; National Synchrotron Light Source II (NSLS-II), Brookhaven National Laboratory, Upton, NY, USA., Leshchev D; National Synchrotron Light Source II (NSLS-II), Brookhaven National Laboratory, Upton, NY, USA., Bai J; National Synchrotron Light Source II (NSLS-II), Brookhaven National Laboratory, Upton, NY, USA., Plonka AM; Chemistry Division, Brookhaven National Laboratory, Upton, NY, USA., Halstenberg P; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA. bryantsevv@ornl.gov.; Department of Chemistry, University of Tennessee, Knoxville, TN, USA., Zhong H; National Synchrotron Light Source II (NSLS-II), Brookhaven National Laboratory, Upton, NY, USA., Ghose S; National Synchrotron Light Source II (NSLS-II), Brookhaven National Laboratory, Upton, NY, USA., Lin CH; Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, NY, USA. Karen.Chen-Wiegart@stonybrook.edu., Zheng X; Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, NY, USA. Karen.Chen-Wiegart@stonybrook.edu., Xiao X; National Synchrotron Light Source II (NSLS-II), Brookhaven National Laboratory, Upton, NY, USA., Lee WK; National Synchrotron Light Source II (NSLS-II), Brookhaven National Laboratory, Upton, NY, USA., Dai S; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA. bryantsevv@ornl.gov.; Department of Chemistry, University of Tennessee, Knoxville, TN, USA., Samolyuk GD; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Bryantsev VS; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA. bryantsevv@ornl.gov., Frenkel AI; Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, NY, USA. Karen.Chen-Wiegart@stonybrook.edu.; Chemistry Division, Brookhaven National Laboratory, Upton, NY, USA., Chen-Wiegart YK; Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, NY, USA. Karen.Chen-Wiegart@stonybrook.edu.; National Synchrotron Light Source II (NSLS-II), Brookhaven National Laboratory, Upton, NY, USA.

Publikováno v: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2024 Aug 14; Vol. 26 (32), pp. 21342-21356. Date of Electronic Publication: 2024 Aug 14.

A Set of Moment Tensor Potentials for Zirconium with Increasing Complexity.

Autor: Luo Y; Department of Mechanical and Materials Engineering, Queen's University, Kingston, Ontario K7L 2N8, Canada., Meziere JA; Department of Physics, Brigham Young University, Provo, Utah 84602, United States., Samolyuk GD; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6138, United States., Hart GLW; Department of Physics, Brigham Young University, Provo, Utah 84602, United States., Daymond MR; Department of Mechanical and Materials Engineering, Queen's University, Kingston, Ontario K7L 2N8, Canada., Béland LK; Department of Mechanical and Materials Engineering, Queen's University, Kingston, Ontario K7L 2N8, Canada.

Publikováno v: Journal of chemical theory and computation [J Chem Theory Comput] 2023 Oct 10; Vol. 19 (19), pp. 6848-6856. Date of Electronic Publication: 2023 Sep 12.

Bifunctional nanoprecipitates strengthen and ductilize a medium-entropy alloy.

Autor: Yang Y; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA. yangying@ornl.gov., Chen T; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA.; Oregon State University, Corvallis, OR, USA., Tan L; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Poplawsky JD; Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN, USA., An K; Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Wang Y; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Samolyuk GD; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Littrell K; Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Lupini AR; Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Borisevich A; Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN, USA., George EP; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA. georgeep@ornl.gov.; Materials Science and Engineering Department, University of Tennessee, Knoxville, TN, USA. georgeep@ornl.gov.

Publikováno v: Nature [Nature] 2021 Jul; Vol. 595 (7866), pp. 245-249. Date of Electronic Publication: 2021 Jul 07.

Extreme Fermi Surface Smearing in a Maximally Disordered Concentrated Solid Solution.

Autor: Robarts HC; H.H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL, United Kingdom., Millichamp TE; H.H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL, United Kingdom., Lagos DA; H.H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL, United Kingdom., Laverock J; H.H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL, United Kingdom., Billington D; Japan Synchrotron Radiation Research Institute, SPring-8, Sayo 679-5198, Japan.; School of Physics and Astronomy, Cardiff University, Queen's Building, The Parade, Cardiff CF24 3AA, United Kingdom., Duffy JA; Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom., O'Neill D; Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom., Giblin SR; School of Physics and Astronomy, Cardiff University, Queen's Building, The Parade, Cardiff CF24 3AA, United Kingdom., Taylor JW; DMSC-European Spallation Source, Universitetsparken 1, Copenhagen 2100, Denmark., Kontrym-Sznajd G; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO Box 1410, 50-950 Wrocław 2, Poland., Samsel-Czekała M; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO Box 1410, 50-950 Wrocław 2, Poland., Bei H; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA., Mu S; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA., Samolyuk GD; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA., Stocks GM; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA., Dugdale SB; H.H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL, United Kingdom.

Publikováno v: Physical review letters [Phys Rev Lett] 2020 Jan 31; Vol. 124 (4), pp. 046402.

Impact of Short-Range Forces on Defect Production from High-Energy Collisions.

Autor: Stoller RE; Materials Science and Technology Division, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States., Tamm A; IMS Lab, Institute of Technology, University of Tartu , 50411 Tartu, Estonia.; Materials Science and Technology Division, Los Alamos National Laboratory , Los Alamos, New Mexico 87544, United States., Béland LK; Materials Science and Technology Division, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States., Samolyuk GD; Materials Science and Technology Division, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States., Stocks GM; Materials Science and Technology Division, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States., Caro A; Materials Science and Technology Division, Los Alamos National Laboratory , Los Alamos, New Mexico 87544, United States., Slipchenko LV; Department of Chemistry, Purdue University , West Lafayette, Indiana 47906, United States., Osetsky YN; Materials Science and Technology Division, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States., Aabloo A; IMS Lab, Institute of Technology, University of Tartu , 50411 Tartu, Estonia., Klintenberg M; Department of Physics and Astronomy, Uppsala University , SE-75120 Uppsala, Sweden., Wang Y; Pittsburgh Supercomputer Center, Carnegie-Mellon University , Pittsburgh, Pennsylvania 15213, United States.

Publikováno v: Journal of chemical theory and computation [J Chem Theory Comput] 2016 Jun 14; Vol. 12 (6), pp. 2871-9. Date of Electronic Publication: 2016 May 23.