Zobrazeno 1 - 10
of 3 414
pro vyhledávání: '"Ramprasad, R."'
Publikováno v:
Nature Communications 10, 2339 (2019)
Large-scale atomistic computer simulations of materials heavily rely on interatomic potentials predicting the potential energy and Newtonian forces on atoms. Traditional interatomic potentials are based on physical intuition but contain few adjustabl
Externí odkaz:
http://arxiv.org/abs/1808.01696
Using density functional theory (DFT) based first principles calculations, we show that the preferred interfacial plane orientation relationship is determined by the strength of bonding at the interface. The thermodynamic stability, and the ideal ten
Externí odkaz:
http://arxiv.org/abs/1606.08555
Publikováno v:
Journal of Chemical Physics; 6/7/2022, Vol. 156 Issue 21, p1-7, 7p
Autor:
Gholami F; The George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA.; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Yue L; The George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Li M; The George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Jain A; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA.; College of Computing, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Mahmood A; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Fratarcangeli M; The George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Ramprasad R; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Qi HJ; The George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA.; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA.
Publikováno v:
Advanced materials (Deerfield Beach, Fla.) [Adv Mater] 2024 Sep 28, pp. e2408774. Date of Electronic Publication: 2024 Sep 28.
Autor:
Gurnani R; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, USA.; Polymer Program, Institute of Materials Science, University of Connecticut, Storrs, 06296, CT, USA., Shukla S; Materials Science Program, Institute of Materials Science, University of Connecticut, Storrs, CT, USA., Kamal D; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, USA., Wu C; Electrical Insulation Research Center, Institute of Materials Science, University of Connecticut, Storrs, CT, USA.; Department of Electrical Engineering, Tsinghua University, Beijing, China., Hao J; Electrical Insulation Research Center, Institute of Materials Science, University of Connecticut, Storrs, CT, USA., Kuenneth C; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, USA.; Faculty of Engineering Science, University of Bayreuth, Bayreuth, Germany., Aklujkar P; Polymer Program, Institute of Materials Science, University of Connecticut, Storrs, CT, USA., Khomane A; Materials Science Program, Institute of Materials Science, University of Connecticut, Storrs, CT, USA., Daniels R; Materials Science Program, Institute of Materials Science, University of Connecticut, Storrs, CT, USA., Deshmukh AA; Polymer Program, Institute of Materials Science, University of Connecticut, Storrs, 06296, CT, USA., Cao Y; Electrical Insulation Research Center, Institute of Materials Science, University of Connecticut, Storrs, CT, USA., Sotzing G; Materials Science Program, Institute of Materials Science, University of Connecticut, Storrs, CT, USA.; Polymer Program, Institute of Materials Science, University of Connecticut, Storrs, CT, USA., Ramprasad R; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, USA. rampi.ramprasad@mse.gatech.edu.
Publikováno v:
Nature communications [Nat Commun] 2024 Aug 21; Vol. 15 (1), pp. 7168. Date of Electronic Publication: 2024 Aug 21.
Autor:
Yue L; The George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Su YL; School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Li M; The George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Yu L; The George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Sun X; The George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Cho J; School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Brettmann B; School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA.; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Gutekunst WR; School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Ramprasad R; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA., Qi HJ; The George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA.; Rewable Bioproduct Institute, Georgia Institute of Technology, Atlanta, GA, 30332, USA.
Publikováno v:
Advanced materials (Deerfield Beach, Fla.) [Adv Mater] 2024 Aug; Vol. 36 (34), pp. e2310040. Date of Electronic Publication: 2024 Feb 07.
Publikováno v:
Appl. Phys. Lett. 107, 012901 (2015)
Structural and magnetic properties of the doped terbium manganites (Tb,A)MnO3 (A = Gd, Dy and Ho) have been investigated using first-principles calculations and further confirmed by subse- quent experimental studies. Both computational and experiment
Externí odkaz:
http://arxiv.org/abs/1505.07182
Publikováno v:
In Computational Materials Science March 2020 174
Publikováno v:
In Computational Materials Science 15 February 2019 158:353-358
Autor:
Gurnani R; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, USA.; Polymer Program, Institute of Materials Science, University of Connecticut, Storrs, 06296, CT, USA., Shukla S; Materials Science Program, Institute of Materials Science, University of Connecticut, Storrs, CT, USA., Kamal D; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, USA., Wu C; Electrical Insulation Research Center, Institute of Materials Science, University of Connecticut, Storrs, CT, USA.; Department of Electrical Engineering, Tsinghua University, Beijing, China., Hao J; Electrical Insulation Research Center, Institute of Materials Science, University of Connecticut, Storrs, CT, USA., Kuenneth C; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, USA.; Faculty of Engineering Science, University of Bayreuth, Bayreuth, Germany., Aklujkar P; Polymer Program, Institute of Materials Science, University of Connecticut, Storrs, CT, USA., Khomane A; Materials Science Program, Institute of Materials Science, University of Connecticut, Storrs, CT, USA., Daniels R; Materials Science Program, Institute of Materials Science, University of Connecticut, Storrs, CT, USA., Deshmukh AA; Polymer Program, Institute of Materials Science, University of Connecticut, Storrs, 06296, CT, USA., Cao Y; Electrical Insulation Research Center, Institute of Materials Science, University of Connecticut, Storrs, CT, USA., Sotzing G; Materials Science Program, Institute of Materials Science, University of Connecticut, Storrs, CT, USA.; Polymer Program, Institute of Materials Science, University of Connecticut, Storrs, CT, USA., Ramprasad R; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, USA. rampi.ramprasad@mse.gatech.edu.
Publikováno v:
Nature communications [Nat Commun] 2024 Jul 19; Vol. 15 (1), pp. 6107. Date of Electronic Publication: 2024 Jul 19.