1994
DOI: 10.1016/0039-6028(94)91405-2
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Construction and evaluation of embedding functions

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Cited by 126 publications
(96 citation statements)
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References 36 publications
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“…Many EPs have been developed for carbon systems, the most popular being the Brenner potential 188 and its extensions. 189,190 For metals, the Finnis-Sinclair and embedded-atom method potentials and their functional equivalents are widely used, [191][192][193][194] while for covalently bonded materials Tersoff-like bond order potentials 172,188,195 have proven to be quite successful. For compounds of different types of materials, far fewer potentials are available, but since the Tersoff and Finnis-Sinclair-like potentials are fundamentally similar, 188,196 a Tersoff-like formalism has proven to be useful in development of potentials for carbides, oxides, and nitrides.…”
Section: B Molecular Dynamics With Empirical Potentialsmentioning
confidence: 99%
“…Many EPs have been developed for carbon systems, the most popular being the Brenner potential 188 and its extensions. 189,190 For metals, the Finnis-Sinclair and embedded-atom method potentials and their functional equivalents are widely used, [191][192][193][194] while for covalently bonded materials Tersoff-like bond order potentials 172,188,195 have proven to be quite successful. For compounds of different types of materials, far fewer potentials are available, but since the Tersoff and Finnis-Sinclair-like potentials are fundamentally similar, 188,196 a Tersoff-like formalism has proven to be useful in development of potentials for carbides, oxides, and nitrides.…”
Section: B Molecular Dynamics With Empirical Potentialsmentioning
confidence: 99%
“…To simulate the interaction within the Au sample we used the MD/MC CEM potential, which includes a high-energy repulsive part [13]. This potential was chosen since it has been previously found to describe the sputtering yields of Au quantitatively correct over three orders of magnitude in energy [14].…”
Section: Methodsmentioning
confidence: 99%
“…The model of the silver crystal consists of approximately 7 million atoms arranged in a hemispherical sample of a radius 37 nm. The AgAg interactions are described by the molecular dynamics/Monte Carlo corrected effective medium (MD/MC-CEM) potential for fcc metals [18]. The interactions between Ar atoms and ArAg atoms are described by the Lennard-Jones (L-J) potential splined with the KrC potential to properly model high-energy collisions.…”
Section: Modelmentioning
confidence: 99%