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

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DOI：https://doi.org/10.1016/j.commatsci.2010.03.022

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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.