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 | 288 | 2013 |
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, 109-129, 2013 | 242 | 2013 |
Bulk and microscale compressive behavior of a Zr-based metallic glass YH Lai, CJ Lee, YT Cheng, HS Chou, HM Chen, XH Du, CI Chang, ... Scripta Materialia 58 (10), 890-893, 2008 | 180 | 2008 |
Atomistic simulations of copper oxidation and Cu/Cu2O interfaces using charge-optimized many-body potentials B Devine, TR Shan, YT Cheng, AJH McGaughey, M Lee, SR Phillpot, ... Physical Review B 84 (12), 125308, 2011 | 91 | 2011 |
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 | 46 | 2014 |
Structural relaxation and self-repair behavior in nano-scaled Zr–Cu metallic glass under cyclic loading: Molecular dynamics simulations YC Lo, HS Chou, YT Cheng, JC Huang, JR Morris, PK Liaw Intermetallics 18, 954-960, 2010 | 43 | 2010 |
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), 1280-1288, 2012 | 35 | 2012 |
Charge optimized many-body (COMB) potential for dynamical simulation of Ni–Al phases A Kumar, A Chernatynskiy, T Liang, K Choudhary, MJ Noordhoek, ... J. Phys.: Condens. Matter 27, 336302, 2015 | 28 | 2015 |
Corrigendum: Charge Optimized Many-Body (COMB) Potential for Dynamical Simulation of Ni-Al Phases (J. Phys: Condens. Matter (2015) 27 (336302)) A Kumar, AV Chernatynskiy, T Liang, KK Choudhary, MJ Noordhoek, ... Institute of Physics Publishing 27 (47), 2015 | 28* | 2015 |
Amorphous ZnO-based Compounds as Thermoelectrics A Roy, YT Cheng, ML Falk The Journal of Physical Chemistry C, 2016 | 26 | 2016 |
Synthesis, Characterization and Computation of Catalysts at the Center for Atomic-level Catalyst Design JJ Spivey, SK Katla, CSSR Kumar, KM Dooley, JC Flake, LH Haber, Y Xu, ... The Journal of Physical Chemistry C, 2014 | 26 | 2014 |
ZT> 0.1 Electron‐Carrying Polymer Thermoelectric Composites with In Situ SnCl2 Microstructure Growth RM Ireland, Y Liu, X Guo, YT Cheng, S Kola, W Wang, T Jones, R Yang, ... Advanced Science, 2015 | 25 | 2015 |
A charge optimized many-body potential for titanium nitride (TiN) YT Cheng, T Liang, JA Martinez, SR Phillpot, SB Sinnott Journal of Physics: Condensed Matter 26 (26), 265004, 2014 | 24 | 2014 |
Molecular dynamics simulations of CO2 reduction on Cu(111) and Cu/ZnO(10-10) using charge optimized many body potentials T Laing, YT Cheng, X Nie, L Wenjia, A Asthagiri, MJ Janik, E Andrews, ... Catalysis Communications 52, 84-87, 2014 | 24 | 2014 |
Cu Cluster Deposition on ZnO(10-10): Morphology and Growth Mode Predicted from Molecular Dynamics Simulations YT Cheng, T Laing, X Nie, K Choudhary, SR Phillpot, A Asthagiri, ... Surface Science 621, 109-116, 2014 | 23 | 2014 |
On the fragility and thermomechanical properties of Mg–Cu–Gd–(B) bulk metallic glasses YC Chang, JC Huang, YT Cheng, CJ Lee, XH Du, TG Nieh Journal of Applied Physics 103 (10), 103521-103521-6, 2008 | 23 | 2008 |
Effects of partial replacement of Cu and Y by Bin Mg–Cu–Y amorphous alloys YT Cheng, TH Hung, JC Huang, JSC Jang, CYA Tsao, PY Lee Intermetallics 14 (8), 866-870, 2006 | 22 | 2006 |
Thermal stability and crystallization kinetics of Mg–Cu–Y–B quaternary alloys YT Cheng, TH Hung, JC Huang, PJ Hsieh, JSC Jang Materials Science and Engineering: A 449, 501-505, 2007 | 18 | 2007 |
Erratum: Atomistic simulations of copper oxidation and Cu/Cu 2 O interfaces using charge-optimized many-body potentials [Phys. Rev. B 84, 125308 (2011)] B Devine, TR Shan, YT Cheng, AJH McGaughey, M Lee, SR Phillpot, ... Physical Review B 85 (19), 199904, 2012 | 3 | 2012 |
Charge Transfer Potential YT Cheng, T Laing, SR Phillpot, SB Sinnott Computational Catalysis (RSC Catalysis Series) 14, 244-260, 2013 | 2 | 2013 |