Interatomic potentials of the binary transition metal systems and some applications in materials physics

JH Li, XD Dai, SH Liang, KP Tai, Y Kong, BX Liu - Physics Reports, 2008 - Elsevier
The present article focuses on a discussion concerning the concept, method and detailed
construction procedure of seven interatomic potentials currently available for fcc, bcc and …

Solid-state crystal-to-amorphous transition in metal‐metal multilayers and its thermodynamic and atomistic modelling

BX Liu, WS Lai, ZJ Zhang - Advances in Physics, 2001 - Taylor & Francis
In this review article, first a brief summary is presented concerning the formation of
amorphous alloys (or metallic glasses) in binary metal systems by solid-state reaction of …

Molecular dynamics study of size effects in the compression of metallic glass nanowires

F Delogu - Physical Review B—Condensed Matter and Materials …, 2009 - APS
Molecular dynamics simulations have been employed to investigate the mechanical
response to uniaxial compression of metallic glass nanowires with radius in the range …

Molecular dynamics investigation on the role of sliding interfaces and friction in the formation of amorphous phases

F Delogu, G Cocco - Physical Review B—Condensed Matter and Materials …, 2005 - APS
Molecular dynamics simulations have been employed to gain deeper insight into the
microscopic dynamics of crystalline solids when mechanical forces are applied. In particular …

Numerical simulations of structural modifications at a sliding interface

F Delogu, G Cocco - Physical Review B—Condensed Matter and Materials …, 2005 - APS
Numerical calculations have been employed to study the early stages of mechanical
deformation processes due to the application of shear stress in a composite system …

Numerical simulations of atomic-scale disordering processes at impact between two rough crystalline surfaces

F Delogu, G Cocco - Physical Review B—Condensed Matter and Materials …, 2006 - APS
Numerical calculations have been used to throw light on the mechanical deformation and
the atomic mixing processes taking place when two different metallic systems collide at low …

Molecular dynamics simulation of diffusion for Ni–Zr interface

Y Ouyang, J Wu, J Wen, H Chen, Y Zhou… - International Journal of …, 2020 - World Scientific
The molecular dynamics simulation has been performed to study the effects of temperature
on interdiffusion of Ni–Zr system. The simulated results indicate that the thickness of Ni/Zr …

Atomistic mechanism of interfacial reaction and asymmetric growth kinetics in an immiscible system at equilibrium

X He, SH Liang, JH Li, BX Liu - Physical Review B—Condensed Matter and …, 2007 - APS
An n-body potential is first constructed for the immiscible Cu-Ru system at equilibrium with
the aid of ab initio calculations for obtaining some physical properties necessary to fit the Cu …

Solid-state amorphization in Ni/Mo multilayers studied with molecular-dynamics simulation

Q Zhang, WS Lai, BX Liu - Physical Review B, 1998 - APS
An n-body potential for the Ni-Mo system is constructed based on the Finnis-Sinclair
formalism by using the physical properties obtained from first-principle calculations …

Influence of interfacial texture and asymmetric growth in diffusion-limited amorphization in Ni-Zr multilayers upon medium-temperature annealing

WS Lai, BX Liu - Physical Review B, 1998 - APS
Molecular-dynamics simulation, based on an n-body potential, was performed to investigate
the amorphization process in the Ni-Zr bilayer and multilayers upon annealing at medium …