The embedded-atom method: a review of theory and applications

MS Daw, SM Foiles, MI Baskes - Materials Science Reports, 1993 - Elsevier
The embedded-atom method is a semi-empirical method for performing calculations of
defects in metals. The EAM incorporates a picture of metallic bonding, for which there is …

Deformation of nanocrystalline materials by molecular-dynamics simulation: relationship to experiments?

D Wolf, V Yamakov, SR Phillpot, A Mukherjee, H Gleiter - Acta Materialia, 2005 - Elsevier
We review the results of recent molecular-dynamics simulations of the structure and
deformation behavior of nanocrystalline materials, ie, polycrystalline materials with a grain …

Structural stability and lattice defects in copper: Ab initio, tight-binding, and embedded-atom calculations

Y Mishin, MJ Mehl, DA Papaconstantopoulos, AF Voter… - Physical Review B, 2001 - APS
We evaluate the ability of the embedded-atom method (EAM) potentials and the tight-
binding (TB) method to predict reliably energies and stability of nonequilibrium structures by …

Interatomic potentials for atomistic simulations of the Ti-Al system

RR Zope, Y Mishin - Physical Review B, 2003 - APS
Semiempirical interatomic potentials have been developed for Al, α− Ti, and γ− TiAl within
the embedded atom method (EAM) formalism by fitting to a large database of experimental …

Deformation-mechanism map for nanocrystalline metals by molecular-dynamics simulation

V Yamakov, D Wolf, SR Phillpot, AK Mukherjee… - Nature materials, 2004 - nature.com
Molecular-dynamics simulations have recently been used to elucidate the transition with
decreasing grain size from a dislocation-based to a grain-boundary-based deformation …

EAM study of surface self-diffusion of single adatoms of fcc metals Ni, Cu, Al, Ag, Au, Pd, and Pt

CL Liu, JM Cohen, JB Adams, AF Voter - Surface science, 1991 - Elsevier
Self-diffusion of single adatoms on the (100),(110),(111),(311), and (331) surfaces of fcc
metals is investigated with the embedded atom method (EAM). The general trend of …

Grain-boundary diffusion creep in nanocrystalline palladium by molecular-dynamics simulation

V Yamakov, D Wolf, SR Phillpot, H Gleiter - Acta Materialia, 2002 - Elsevier
Molecular-dynamics (MD) simulations of fully three-dimensional (3D), model nanocrystalline
face-centered cubic metal microstructures are used to study grain-boundary (GB) diffusion …

The effect of pulse duration on nanoparticle generation in pulsed laser ablation in liquids: insights from large-scale atomistic simulations

CY Shih, MV Shugaev, C Wu, LV Zhigilei - … Chemistry Chemical Physics, 2020 - pubs.rsc.org
The generation of colloidal solutions of chemically clean nanoparticles through pulsed laser
ablation in liquids (PLAL) has evolved into a thriving research field that impacts industrial …

EAM potential for magnesium from quantum mechanical forces

XY Liu, JB Adams, F Ercolessi… - … and Simulation in …, 1996 - iopscience.iop.org
We have developed an empirical EAM potential for magnesium by fitting to ab initio forces
(theforce matching'method) and experimental data. The database includes many different …