| EAM potential for magnesium from quantum mechanical forces XY Liu, JB Adams, F Ercolessi, JA Moriarty Modelling and Simulation in Materials Science and Engineering 4 (3), 293, 1996 | 343 | 1996 |
| Interface defects, reference spaces and the Frank–Bilby equation JP Hirth, RC Pond, RG Hoagland, XY Liu, J Wang Progress in Materials Science 58 (5), 749-823, 2013 | 238 | 2013 |
| Aluminium interatomic potential from density functional theory calculations with improved stacking fault energy XY Liu, F Ercolessi, JB Adams Modelling and Simulation in Materials Science and Engineering 12 (4), 665, 2004 | 225 | 2004 |
| Anisotropic surface segregation in Al-Mg alloys XY Liu, PP Ohotnicky, JB Adams, CL Rohrer, RW Hyland Jr Surface science 373 (2), 357-370, 1997 | 222 | 1997 |
| Grain-boundary segregation in Al–10% Mg alloys at hot working temperatures XY Liu, JB Adams Acta Materialia 46 (10), 3467-3476, 1998 | 159 | 1998 |
| The influence of interface shear strength on the glide dislocation–interface interactions J Wang, RG Hoagland, XY Liu, A Misra Acta Materialia 59 (8), 3164-3173, 2011 | 151 | 2011 |
| Embedded-atom-method tantalum potential developed by the force-matching method Y Li, DJ Siegel, JB Adams, XY Liu Physical Review B 67 (12), 125101, 2003 | 145 | 2003 |
| Atomistic modeling of intrinsic and radiation-enhanced fission gas (Xe) diffusion in UO2±x: Implications for nuclear fuel performance modeling DA Andersson, P Garcia, XY Liu, G Pastore, M Tonks, P Millett, B Dorado, ... Journal of Nuclear Materials 451 (1-3), 225-242, 2014 | 131 | 2014 |
| Anisotropic thermal conductivity in uranium dioxide K Gofryk, S Du, CR Stanek, JC Lashley, XY Liu, RK Schulze, JL Smith, ... Nature Communications 5, 4551, 2014 | 129 | 2014 |
| Ab initio modeling of boron clustering in silicon W Windl, XY Liu, MP Masquelier Proceedings of the 2001 International Conference on Computational …, 2001 | 123* | 2001 |
| Development of glue-type potentials for the Al–Pb system: phase diagram calculation A Landa, P Wynblatt, DJ Siegel, JB Adams, ON Mryasov, XY Liu Acta materialia 48 (8), 1753-1761, 2000 | 118 | 2000 |
| Revisiting the Al/Al2O3 Interface: Coherent Interfaces and Misfit Accommodation G Pilania, BJ Thijsse, RG Hoagland, I Lazić, SM Valone, XY Liu Scientific reports 4 (1), 4485, 2014 | 112 | 2014 |
| First-principles study of phosphorus diffusion in silicon: Interstitial-and vacancy-mediated diffusion mechanisms XY Liu, W Windl, KM Beardmore, MP Masquelier Applied physics letters 82 (12), 1839-1841, 2003 | 105 | 2003 |
| Development of a Multiscale Thermal Conductivity Model for Fission Gas in UO2 MR Tonks, XY Liu, D Andersson, D Perez, A Chernatynskiy, G Pastore, ... Journal of Nuclear Materials 469, 89-98, 2016 | 102 | 2016 |
| Role of interface structure on the plastic response of Cu/Nb nanolaminates under shock compression: Non-equilibrium molecular dynamics simulations RF Zhang, TC Germann, J Wang, XY Liu, IJ Beyerlein Scripta Materialia 68 (2), 114-117, 2013 | 97 | 2013 |
| Effects of three-dimensional Cu/Nb interfaces on strengthening and shear banding in nanoscale metallic multilayers Y Chen, N Li, RG Hoagland, XY Liu, JK Baldwin, IJ Beyerlein, JY Cheng, ... Acta Materialia 199, 593-601, 2020 | 88 | 2020 |
| Thermodynamics of fission products in UO2±x PV Nerikar, XY Liu, BP Uberuaga, CR Stanek, SR Phillpot, SB Sinnott Journal of Physics: Condensed Matter 21 (43), 435602, 2009 | 88 | 2009 |
| Molecular dynamics simulation of Cu and Ar ion sputtering of Cu (111) surfaces JD Kress, DE Hanson, AF Voter, CL Liu, XY Liu, DG Coronell Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films 17 (5 …, 1999 | 87 | 1999 |
| Atomistic studies of segregation and diffusion in Al-Cu grain boundaries XY Liu, W Xu, SM Foiles, JB Adams Applied physics letters 72 (13), 1578-1580, 1998 | 87 | 1998 |
| A new investigation of copper's role in enhancing Al–Cu interconnect electromigration resistance from an atomistic view XY Liu, CL Liu, LJ Borucki Acta materialia 47 (11), 3227-3231, 1999 | 84 | 1999 |
C.R. StanekLos Alamos National LaboratoryVerified email at lanl.gov