论文信息 - Embedded atom potentials in fcc and bcc metals

Embedded atom potentials in fcc and bcc metals

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. In case of fcc the stacking fault energy is also used to fit parameters. The potential functions for copper, silver and gold for fcc metals and for bcc metals Nb, Ta and Va are presented.

Masao Doyama | Yoshiaki Kogure | M. Doyama | Y. Kogure

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