Chongqing 400044, Chongqing 400030
China
Chongqing University - Department of Engineering Mechanics
Chongqing University - The State Key Laboratory of Mechanical Transmissions
NiTi shape memory alloy, nanocrystalline, phase transformation, tension-compression asymmetry, molecular dynamics simulation
Ultrahrad material, Nanotwinned structure, Detwinning, Atomic reconfiguration, DFT calculations.
Diamond, Deformation modes, Graphitization, Localized failure
Wurtzite-BN (w-BN), Intrinsic stacking faults (ISFs), Inversion domain boundaries (IDBs), First-principles calculations, molecular dynamics simulation