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1997•Radiation effects and defects in solidsRequires access

Embedded atom potentials in fcc metals

Masao Doyama, Yoshiaki Kogure

Open publisher page 28 citations

Abstract

A new embedded atom potential has been proposed in this paper. The potential is expressed by simple functions and is applicable to the molecular dynamics simulations of large atomic systems. The potential parameters are determined from the experimental data using the cohesive energy, Born stability, elastic constants, C 11 C 12 and C 44, the formation energy of a vacancy and the stacking fault energy. The potential functions for copper, silver and gold are presented.

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What this paper is about

A new embedded atom potential has been proposed in this paper. The potential is expressed by simple functions and is applicable to the molecular dynamics simulations of large atomic systems. The potential parameters are determined from the experimental data using the cohesive energy, Born stability, elastic constants, C 11 C 12 and C 44, the formation energy of a vacancy and the stacking fault energy. The potential functions for copper, silver and gold are presented.

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OpenAlex reports 28 citations for this work. Citation counts describe recorded attention and do not establish research quality.

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Available abstract

A new embedded atom potential has been proposed in this paper. The potential is expressed by simple functions and is applicable to the molecular dynamics simulations of large atomic systems. The potential parameters are determined from the experimental data using the cohesive energy, Born stability, elastic constants, C 11 C 12 and C 44, the formation energy of a vacancy and the stacking fault energy. The potential functions for copper, silver and gold are presented.

Key concepts: Embedded atom model, Vacancy defect, Stacking-fault energy, Atom (system on chip), Interatomic potential, Potential energy, Molecular dynamics, Copper

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