| Analytical W–He and H–He interatomic potentials for a W–H–He system XC Li, X Shu, YN Liu, Y Yu, F Gao, GH Lu Journal of nuclear materials 426 (1-3), 31-37, 2012 | 92 | 2012 |
| Helium defects interactions and mechanism of helium bubble growth in tungsten: A molecular dynamics simulation XC Li, YN Liu, Y Yu, GN Luo, X Shu, GH Lu Journal of Nuclear Materials 451 (1-3), 356-360, 2014 | 84 | 2014 |
| Molecular dynamics simulation of helium cluster diffusion and bubble formation in bulk tungsten XC Li, X Shu, P Tao, Y Yu, GJ Niu, Y Xu, F Gao, GN Luo Journal of Nuclear Materials 455 (1-3), 544-548, 2014 | 70 | 2014 |
| Phase transition in octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine (HMX) under static compression: an application of the first-principles method specialized for CHNO … L Zhang, SL Jiang, Y Yu, Y Long, HY Zhao, LJ Peng, J Chen The Journal of Physical Chemistry B 120 (44), 11510-11522, 2016 | 64 | 2016 |
| Stabilization of the Dual-Aromatic cyclo-N5– Anion by Acidic Entrapment L Zhang, C Yao, Y Yu, SL Jiang, CQ Sun, J Chen The journal of physical chemistry letters 10 (10), 2378-2385, 2019 | 56 | 2019 |
| Helium diffusion in tungsten: A molecular dynamics study X Shu, P Tao, X Li, Y Yu Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2013 | 53 | 2013 |
| Mechanism of vacancy formation induced by hydrogen in tungsten YN Liu, T Ahlgren, L Bukonte, K Nordlund, X Shu, Y Yu, XC Li, GH Lu AIP advances 3 (12), 122111, 2013 | 51 | 2013 |
| Molecular dynamics simulation of hydrogen dissolution and diffusion in a tungsten grain boundary Y Yu, X Shu, YN Liu, GH Lu Journal of Nuclear Materials 455 (1-3), 91-95, 2014 | 39 | 2014 |
| From intermolecular interactions to structures and properties of a novel cocrystal explosive: a first-principles study L Zhang, JZ Wu, SL Jiang, Y Yu, J Chen Physical Chemistry Chemical Physics 18 (38), 26960-26969, 2016 | 36 | 2016 |
| Hydrogen diffusion in tungsten: A molecular dynamics study YN Liu, T Wu, Y Yu, XC Li, X Shu, GH Lu Journal of Nuclear Materials 455 (1-3), 676-680, 2014 | 30 | 2014 |
| Structural, mechanical properties, and vibrational spectra of LLM-105 under high pressures from a first-principles study HH Zong, L Zhang, W Zhang, SL Jiang, Y Yu, J Chen Journal of molecular modeling 23 (10), 275, 2017 | 25 | 2017 |
| Revealing solid properties of high-energy-density molecular cocrystals from the cooperation of hydrogen bonding and molecular polarizability L Zhang, SL Jiang, Y Yu, J Chen Scientific reports 9 (1), 1-7, 2019 | 21 | 2019 |
| A Study of the Shock Sensitivity of Energetic Single Crystals by Large-Scale Ab Initio Molecular Dynamics Simulations L Zhang, Y Yu, M Xiang Nanomaterials 9 (9), 1251, 2019 | 17 | 2019 |
| Mechanism and Functionality of Pnictogen Dual Aromaticity in Pentazolate Crystals L Zhang, C Yao, Y Yu, X Wang, CQ Sun, J Chen ChemPhysChem 20 (19), 2525-2530, 2019 | 15 | 2019 |
| Effect of hydrogen on grain boundary migration in tungsten Y Yu, XL Shu, YN Liu, LL Niu, S Jin, F Gao, GH Lu SCIENCE CHINA Physics, Mechanics & Astronomy 58 (7), 1-9, 2015 | 11 | 2015 |
| Fe self-diffusion and Cu and Ni diffusion in bulk and grain boundary of Fe: A molecular dynamics study X Shu, X Li, Y Yu, Y Liu, T Wu, Y Shuo, G Lu Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2013 | 11 | 2013 |
| Molecular dynamics simulations of hydrogen diffusion behaviour at tungsten surface YN Liu, Y Yu, X Shu, GH Lu Materials Research Innovations 18 (sup4), S4-1040-S4-1044, 2014 | 4 | 2014 |
| Formation of a disordered region at the grain boundary during migration with He atoms SY Hu, Y Yu, WS Yuan, YH Wang, XL Shu, GH Lu SCIENCE CHINA Physics, Mechanics & Astronomy 60 (4), 047021, 2017 | 3 | 2017 |
| Dependence of critical stress on temperature and shear strain rate in grain boundary of W Y Yu, X Shu, GH Lu Materials Research Innovations 18 (sup4), S4-1078-S4-1081, 2014 | 1 | 2014 |
