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Article Dans Une Revue Computational Materials Science Année : 2010

Dynamical properties of deeply undercooled and amorphous systems: Combined classical and ab initio molecular dynamics simulations approaches.

Résumé

Dynamical properties of pure silicon in deeply undercooled states, and Cu–Zr bulk metallic glass are calculated from combined classical and ab initio molecular dynamics techniques. An analysis of the results indicates that a boson peak occurs in both systems but its origin is found to be different in each case.

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Matériaux

Dates et versions

hal-00590571 , version 1 (03-05-2011)

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Citer

Noel Jakse, Alain Pasturel. Dynamical properties of deeply undercooled and amorphous systems: Combined classical and ab initio molecular dynamics simulations approaches.. Computational Materials Science, 2010, 49 (4), pp.S272-S275. ⟨10.1016/j.commatsci.2010.03.022⟩. ⟨hal-00590571⟩
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