Review of force fields and intermolecular potentials used in atomistic computational materials research

JA Harrison, JD Schall, S Maskey, PT Mikulski… - Applied Physics …, 2018 - pubs.aip.org
Molecular simulation is a powerful computational tool for a broad range of applications
including the examination of materials properties and accelerating drug discovery. At the …

Recent advances in single-asperity nanotribology

I Szlufarska, M Chandross… - Journal of Physics D …, 2008 - iopscience.iop.org
As the size of electronic and mechanical devices shrinks to the nanometre regime,
performance begins to be dominated by surface forces. For example, friction, wear and …

Indentation across size scales and disciplines: Recent developments in experimentation and modeling

A Gouldstone, N Chollacoop, M Dao, J Li, AM Minor… - Acta Materialia, 2007 - Elsevier
Indentation is a remarkably flexible mechanical test due to its relative experimental
simplicity. Coupled with advances in instrument development, ease of implementation has …

Study of nanoindentation behavior of amorphous alloy using molecular dynamics

C Qiu, P Zhu, F Fang, D Yuan, X Shen - Applied surface science, 2014 - Elsevier
Molecular dynamics is employed to study the nanoindentation process of Cu 50 Zr 50
amorphous alloy. Deformation behavior of the substrate during indentation process is …

Influence of equi-biaxial residual stress on unloading behaviour of nanoindentation

ZH Xu, X Li - Acta Materialia, 2005 - Elsevier
Finite element simulations have been used to investigate the influence of equi-biaxial
residual stress on the unloading behaviour of nanoindentation on elastic–plastic strain …

Molecular dynamics simulations on nanoindentation mechanisms of multilayered films

TH Fang, JH Wu - Computational Materials Science, 2008 - Elsevier
Molecular dynamics (MD) simulations were carried out to study the effects of indention
deformation, contact, and adhesion on Al, Ni, and Al/Ni multilayered films. The results show …

Numerical study on the effect of residual stress on mechanical properties of laser welds of aluminum alloy 2024

S Gao, S Geng, P Jiang, C Han, L Ren - Optics & Laser Technology, 2022 - Elsevier
The fusion zone is the weak area of weld joint which will experience complex thermal
mechanical process during laser welding aluminum alloy 2024-T4. The resulting residual …

[图书][B] Nanoengineering of structural, functional and smart materials

MJ Schulz, AD Kelkar, MJ Sundaresan - 2005 - taylorfrancis.com
In chapters contributed by 24 university & government laboratories, Nanoengineering of
Structural, Functional, and Smart Materials combines wide-ranging research aimed at the …

Dynamic characteristics of nanoindentation in Ni: A molecular dynamics simulation study

M Imran, F Hussain, M Rashid, SA Ahmad - Chinese Physics B, 2012 - iopscience.iop.org
In this work, three-dimensional molecular dynamics simulation is carried out to elucidate the
nanoindentation behaviour of single crystal Ni. The substrate indenter system is modelled …

Multiscale simulations of nanoindentation and nanoscratch of single crystal copper

P Zhu, Y Hu, F Fang, H Wang - Applied surface science, 2012 - Elsevier
In this paper, a three-dimensional multiscale method coupling molecular dynamics (MD) and
finite element (FE) analysis has been employed to study nanoindentation and nanoscratch …