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TAO LIANG
TAO LIANG
Research Scientist of Computational Materials Science, University of Tennessee Knovxille
E-mail confirmado em psu.edu - Página inicial
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Parametrization of a reactive many-body potential for Mo–S systems
T Liang, SR Phillpot, SB Sinnott
Physical Review B—Condensed Matter and Materials Physics 79 (24), 245110, 2009
3492009
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
2942013
Reactive potentials for advanced atomistic simulations
T Liang, YK Shin, YT Cheng, DE Yilmaz, KG Vishnu, O Verners, C Zou, ...
Annual review of materials research 43 (1), 109-129, 2013
2432013
First-principles determination of static potential energy surfaces for atomic friction in and
T Liang, WG Sawyer, SS Perry, SB Sinnott, SR Phillpot
Physical Review B—Condensed Matter and Materials Physics 77 (10), 104105, 2008
1392008
Variable charge reactive potential for hydrocarbons to simulate organic-copper interactions
T Liang, B Devine, SR Phillpot, SB Sinnott
The Journal of Physical Chemistry A 116 (30), 7976-7991, 2012
1252012
Development of a ReaxFF Reactive Force Field for NaSiOx/Water Systems and Its Application to Sodium and Proton Self-Diffusion
SH Hahn, J Rimsza, L Criscenti, W Sun, L Deng, J Du, T Liang, SB Sinnott, ...
The Journal of Physical Chemistry C 122 (34), 19613-19624, 2018
872018
Erratum: Parametrization of a reactive many-body potential for Mo--S systems [Phys. Rev. B 79, 245110 (2009)]
T Liang, SR Phillpot, SB Sinnott
Physical Review B—Condensed Matter and Materials Physics 85 (19), 199903, 2012
862012
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
Fitting empirical potentials: Challenges and methodologies
JA Martinez, DE Yilmaz, T Liang, SB Sinnott, SR Phillpot
Current Opinion in Solid State and Materials Science 17 (6), 263-270, 2013
642013
Charge optimized many-body (COMB) potential for Al2O3 materials, interfaces, and nanostructures
K Choudhary, T Liang, A Chernatynskiy, SR Phillpot, SB Sinnott
Journal of Physics: Condensed Matter 27 (30), 305004, 2015
632015
Energetics of Oxidation in MoS2 Nanoparticles by Density Functional Theory
T Liang, WG Sawyer, SS Perry, SB Sinnott, SR Phillpot
The Journal of Physical Chemistry C 115 (21), 10606-10616, 2011
622011
Predicted mechanical properties of a coiled carbon nanotube
J Wang, T Kemper, T Liang, SB Sinnott
Carbon 50 (3), 968-976, 2012
502012
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
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
Mechanisms of Zr surface corrosion determined via molecular dynamics simulations with charge-optimized many-body (COMB) potentials
MJ Noordhoek, T Liang, TW Chiang, SB Sinnott, SR Phillpot
Journal of Nuclear Materials 452 (1-3), 285-295, 2014
392014
Graphene–titanium interfaces from molecular dynamics simulations
AF Fonseca, T Liang, D Zhang, K Choudhary, SR Phillpot, SB Sinnott
ACS applied materials & interfaces 9 (38), 33288-33297, 2017
382017
A charge-optimized many-body potential for the U–UO2–O2 system
Y Li, T Liang, SB Sinnott, SR Phillpot
Journal of Physics: Condensed Matter 25 (50), 505401, 2013
362013
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
Properties of Ti/TiC interfaces from molecular dynamics simulations
T Liang, M Ashton, K Choudhary, D Zhang, AF Fonseca, BC Revard, ...
The Journal of Physical Chemistry C 120 (23), 12530-12538, 2016
322016
Probing the accuracy of reactive and non-reactive force fields to describe physical and chemical properties of graphene-oxide
AF Fonseca, T Liang, D Zhang, K Choudhary, SB Sinnott
Computational Materials Science 114, 236-243, 2016
322016
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