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• W2014089219 abstract "Abstract Static relaxation calculations have been made to simulate an amorphisation reaction at an atomic level. In the model, the late transition metal diffuses into the lattice of the early transition metal and occupies both interstitial and substitutional sites, which produces positive and negative stress fields. At sufficiently high concentrations, the accumulation of these stress fields breaks down the crystalline lattice into a structurally disordered array. Trials on clusters of fcc unit cells using Lennard-Jones potentials were extended to a full calculation on a 1100 atom binary array. The results are presented in terms of the partial pair distribution functions and the partial structure factors obtained." @default.
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• W2014089219 date "1993-05-01" @default.
• W2014089219 modified "2023-09-26" @default.
• W2014089219 title "Structural simulation of an amorphisation reaction" @default.
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• W2014089219 doi "https://doi.org/10.1016/0022-3093(93)90014-o" @default.
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