Dynamical properties of deeply undercooled and amorphous systems: Combined classical and ab initio molecular dynamics simulations approaches
N Jakse and A Pasturel, COMPUTATIONAL MATERIALS SCIENCE, 49, S272-S275 (2010).
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. (C) 2010 Elsevier B.V. All rights reserved.
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