The embedded-atom method: a review of theory and applications
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 …
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?
We review the results of recent molecular-dynamics simulations of the structure and
deformation behavior of nanocrystalline materials, ie, polycrystalline materials with a grain …
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
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 …
binding (TB) method to predict reliably energies and stability of nonequilibrium structures by …
Interatomic potentials for atomistic simulations of the Ti-Al system
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 …
the embedded atom method (EAM) formalism by fitting to a large database of experimental …
Deformation-mechanism map for nanocrystalline metals by molecular-dynamics simulation
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 …
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
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 …
metals is investigated with the embedded atom method (EAM). The general trend of …
Grain-boundary diffusion creep in nanocrystalline palladium by molecular-dynamics simulation
Molecular-dynamics (MD) simulations of fully three-dimensional (3D), model nanocrystalline
face-centered cubic metal microstructures are used to study grain-boundary (GB) diffusion …
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
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 …
ablation in liquids (PLAL) has evolved into a thriving research field that impacts industrial …
EAM potential for magnesium from quantum mechanical forces
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 …
(theforce matching'method) and experimental data. The database includes many different …