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- W9641293 abstract "The formation energy, the relaxation volume and the migration energy of single vacancy and small vacancy clusters are calculated for Cu, Ag and Au with the embedded atom method which was developed by Daw and Baskes[4]. Calculations utilize the energy minimization of the conjugate gradient method to obtain the most stable structure and the molecular dynamics to relax the lattice to a stable structure. To examine the feasibility of the embedded atom method for the calculation of defect properties in these metals, calculated physical constants of vacancy clusters are compared with experimental values. The present calculation does not give large binding energy of di-vacancy as 0.4 eV as determined experimentally in these metals but below 0.16 eV. Vacancy clusters collapse to relaxed structures at 6 vacancy in these metals." @default.
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- W9641293 date "1991-01-01" @default.
- W9641293 modified "2023-09-27" @default.
- W9641293 title "PHYSICAL CONSTANTS OF SMALL VACANCY CLUSTERS IN PURE CU, AG AND AU CALCULATED BY THE EMBEDDED ATOM METHOD" @default.
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- W9641293 doi "https://doi.org/10.1016/b978-0-444-88864-8.50070-4" @default.
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