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Two-body interatomic interaction and properties of the alloy Cu3Au

✍ Scribed by S. F. Kolodeznaya; V. M. Dement'ev; É. V. Kozlov


Book ID
112426197
Publisher
Springer
Year
1980
Tongue
English
Weight
359 KB
Volume
23
Category
Article
ISSN
1573-9228

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By using molecular statics, molecular dynamics, and Monte Carlo techniques we validate a previously developed empirical n-body potential adapted to Cu3Au. At T = 0 K, predicted cohesive energies, lattice parameters, and elastic constants in CuAu and CuAu3 as well as the formation energy of vacancies