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

Abstract

Molecular dynamics simulations of glassy Ni81B19, starting with a configuration obtained by the Reverse Monte Carlo method, indicate a calorimetric glass transition at 960 K and point to a significant change in the atomic dynamics between 960 and 1200 K. Above this range, normal liquid-like behavior is found; at lower temperatures, we find a residual diffusivity and cooperative atomic motion. Atomic jumps are processes smeared out in time and space over continuous rather than discrete scales.

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Acknoledgments

Thanks are due to Peter Duine for stimulating discussions. This work is part of the research program of the Stichting voor Fundamenteel Onderzoek der Materie (Foundation for Fundamental Research of Matter), and was made possible by financial support from the Nederlandse Organisatie voor Wetenschappelijk Onderzoek NWO (Netherlands Organization for Scientific Research).

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Correspondence to Barend J. Thijsse.

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Thijsse, B.J., Van Ee, L. & Sietsma, J. Atomic Motion in Amorphous Ni81B19 Studied by Reverse Monte Carlo and Molecular Dynamics Simulation. MRS Online Proceedings Library 321, 65–70 (1993). https://doi.org/10.1557/PROC-321-65

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