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Atomic Motion in Amorphous Ni81B19 Studiedby Reverse Monte Carlo and Molecular Dynamics Simulation

Published online by Cambridge University Press:  15 February 2011

Barend J. Thijsse,
Leon Van Ee and
Jilt Sietsma
Barend J. Thijsse
Affiliation:
Laboratory of Materials Science, Delft University of Technology, Rotterdamseweg 137, 2628 AL Delft, The Netherlands
Leon Van Ee
Affiliation:
Laboratory of Materials Science, Delft University of Technology, Rotterdamseweg 137, 2628 AL Delft, The Netherlands
Jilt Sietsma
Affiliation:
Laboratory of Materials Science, Delft University of Technology, Rotterdamseweg 137, 2628 AL Delft, The Netherlands
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Abstract

Molecular dynamics simulations of glassy Ni81B19,starting with a configuration obtained by the Reverse Monte Carlo Method,indicate a calorimetrie glass transition at 960 K and point to a significantchange in the atomic dynamics between 960 and 1200 K. Above this range,normal liquid-like behavior is found; at lower temperatures, we find aresidual diffusivity and cooperative atomic Motion. Atomic jumps areprocesses smeared out in time and space over continuous rather than discretescales.

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References

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