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T. Ray Shan
T. Ray Shan
Thermo Fisher Scientific; Materials Design; Sandia National Laboratories; University of Florida
E-mail confirmado em thermofisher.com - Página inicial
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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
40512022
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
2932013
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
1942010
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
1522010
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
922011
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
732013
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
712011
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
702012
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
502004
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
472014
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
432016
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
432014
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
432011
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
402012
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
372014
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
352012
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
302013
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
292019
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
192006
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
122009
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