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

MRS Online Proceedings Library volume 321, pages65–70(1993)Cite this article

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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References

  1. 1.

    L.J. Lewis, Phys. Rev. B 44, 4245 (1991).

    CAS  Article  Google Scholar 

  2. 2.

    J. Hafner, M. Krajcí, and Ch. Hausleitner, in Proc. ILL/ESRF Workshop on Methods in the Determination of Partial Structure Factors, edited by J.B. Suck, P. Chieux, D. Raoux, and C. Riekel (World Scientific Publishing, Singapore, 1993), p. 179.

  3. 3.

    W. Frank, A. Hörner, P. Scharwaechter, and H. Kronmüller, to appear in Proc. 8th Int. Conf. on Rapidly Quenched Metals, Sendai, 1993; A. Hörner, PhD thesis, Max-Planck-Institut für Metallforschung, Stuttgart (Germany), 1993.

    Google Scholar 

  4. 4.

    E.W. Iparraguirre, J. Sietsma, B.J. Thijsse, and L. Pusztai, Comp. Mat. Sci. 1, 110 (1993).

    CAS  Article  Google Scholar 

  5. 5.

    M. P. Allen and D.J. Tildesley, Computer Simulation in Liquids (Oxford University Press, 1989).

    Google Scholar 

  6. 6.

    Ch. Hausleitner and J. Hafner, Phys. Rev. B 47, 5689 (1993).

    CAS  Article  Google Scholar 

  7. 7.

    J. C. Li, N. Cowlam, and F. He, J. Non-Cryst. Solids 112 (1989)101.

    Google Scholar 

  8. 8.

    B. J. Thijsse and J. Sietsma, to appear in Proc. 8th Int. Conf. on Rapidly Quenched Metals, Sendai, 1993.

    Google Scholar 

  9. 9.

    J.-L Barrat, J.-N. Roux, and J.-P. Hansen, Chem. Phys. 149, 197 (1990).

    CAS  Article  Google Scholar 

  10. 10.

    G. Wahnström, Phys. Rev. A 44, 3752 (1991).

    Article  Google Scholar 

  11. 11.

    Y. Hiwatari, H. Miyagawa, and T. Odagaki, Solid State Ionics 47, 179 (1991).

    CAS  Article  Google Scholar 

  12. 12.

    D. Thirumalai and R.D. Mountain, Phys. Rev. E 47, 479 (1993).

    CAS  Article  Google Scholar 

  13. 13.

    G. Pastore, B. Bernu, J.-P. Hansen, and Y. Hiwatari, Phys. Rev. A 38, 454 (1988).

    CAS  Article  Google Scholar 

Download references

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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Affiliations

  1. Laboratory of Materials Science, Delft University of Technology, Rotterdamseweg 137, 2628, AL Delft, The Netherlands

    Barend J. Thijsse, Leon Van Ee & Jilt Sietsma

Authors
  1. Barend J. Thijsse
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  2. Leon Van Ee
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  3. Jilt Sietsma
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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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