T. Ray Shan
T. Ray Shan
Thermo Fisher Scientific; Materials Design; Sandia National Laboratories; University of Florida
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LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
AP Thompson, HM Aktulga, R Berger, DS Bolintineanu, WM Brown, ...
Computer Physics Communications 271, 108171, 2022
Classical atomistic simulations of surfaces and heterogeneous interfaces with the charge-optimized many body (COMB) potentials
T Liang, TR Shan, YT Cheng, BD Devine, M Noordhoek, Y Li, Z Lu, ...
Materials Science and Engineering: R: Reports 74 (9), 255-279, 2013
Charge-optimized many-body potential for the hafnium/hafnium oxide system
TR Shan, BD Devine, TW Kemper, SB Sinnott, SR Phillpot
Physical Review B—Condensed Matter and Materials Physics 81 (12), 125328, 2010
Second-generation charge-optimized many-body potential for and amorphous silica
TR Shan, BD Devine, JM Hawkins, A Asthagiri, SR Phillpot, SB Sinnott
Physical Review B—Condensed Matter and Materials Physics 82 (23), 235302, 2010
Atomistic simulations of copper oxidation and Cu/CuO interfaces using charge-optimized many-body potentials
B Devine, TR Shan, YT Cheng, AJH McGaughey, M Lee, SR Phillpot, ...
Physical Review B—Condensed Matter and Materials Physics 84 (12), 125308, 2011
Atomistic simulation of orientation dependence in shock-induced initiation of pentaerythritol tetranitrate
TR Shan, RR Wixom, AE Mattsson, AP Thompson
The Journal of Physical Chemistry B 117 (3), 928-936, 2013
Molecular dynamics study of the adhesion of Cu/SiO interfaces using a variable-charge interatomic potential
TR Shan, BD Devine, SR Phillpot, SB Sinnott
Physical Review B—Condensed Matter and Materials Physics 83 (11), 115327, 2011
Variable charge many-body interatomic potentials
YK Shin, TR Shan, T Liang, MJ Noordhoek, SB Sinnott, ACT Van Duin, ...
MRS bulletin 37 (5), 504-512, 2012
Study of micro-droplet behavior for a piezoelectric inkjet printing device using a single pulse voltage pattern
HC Wu, TR Shan, WS Hwang, HJ Lin
Materials transactions 45 (5), 1794-1801, 2004
A charge optimized many-body (comb) potential for titanium and titania
YT Cheng, TR Shan, T Liang, RK Behera, SR Phillpot, SB Sinnott
Journal of Physics: Condensed Matter 26 (31), 315007, 2014
Extended asymmetric hot region formation due to shockwave interactions following void collapse in shocked high explosive
TR Shan, RR Wixom, AP Thompson
Physical Review B 94 (5), 054308, 2016
Shock-induced hotspot formation and chemical reaction initiation in PETN containing a spherical void
TR Shan, AP Thompson
Journal of Physics: Conference Series 500 (17), 172009, 2014
Reparameterization of the REBO-CHO potential for graphene oxide molecular dynamics simulations
AF Fonseca, G Lee, TL Borders, H Zhang, TW Kemper, TR Shan, ...
Physical Review B—Condensed Matter and Materials Physics 84 (7), 075460, 2011
Classical interatomic potential for orthorhombic uranium
Y Li, TR Shan, T Liang, SB Sinnott, SR Phillpot
Journal of Physics: Condensed Matter 24 (23), 235403, 2012
Development of a ReaxFF reactive force field for ammonium nitrate and application to shock compression and thermal decomposition
TR Shan, ACT Van Duin, AP Thompson
The Journal of Physical Chemistry A 118 (8), 1469-1478, 2014
Atomistic simulations of the adsorption and migration barriers of Cu adatoms on ZnO surfaces using COMB potentials
YT Cheng, TR Shan, B Devine, D Lee, T Liang, BB Hinojosa, SR Phillpot, ...
Surface science 606 (15-16), 1280-1288, 2012
Charge-optimized many-body (COMB) potential for zirconium
MJ Noordhoek, T Liang, Z Lu, TR Shan, SB Sinnott, SR Phillpot
Journal of nuclear materials 441 (1-3), 274-279, 2013
Optimizing the performance of reactive molecular dynamics simulations for many-core architectures
HM Aktulga, C Knight, P Coffman, KA O’Hearn, TR Shan, W Jiang
The International Journal of High Performance Computing Applications 33 (2 …, 2019
The effects of operating parameters on micro-droplet formation in a piezoelectric inkjet printhead using a double pulse voltage pattern
HJ Lin, HC Wu, TR Shan, WS Hwang
Materials transactions 47 (2), 375-382, 2006
Modification of poly (methyl methacrylate) by keV Ar deposition
YT Su, TR Shan, SB Sinnott
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2009
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