Hostname: page-component-6bf8c574d5-t27h7 Total loading time: 0 Render date: 2025-02-22T08:21:54.165Z Has data issue: false hasContentIssue false
  • English
  • Français

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
Get access

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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 321: Symposium E – Crystallization and Related Phenomena in Amorphous Materials—Ceramics, Metals, Polymers, and Semiconductors , 1993 , 65
Copyright
Copyright © Materials Research Society 1994

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Lewis, L.J., Phys. Rev. B 44, 4245 (1991).Google Scholar
2. Hafner, J., Krajci, M., and Hausleitner, Ch., in Proc. ILL/ESRF Workshop on methods in the Determination of Partial Structure Factors, edited by Suck, J.B., Chieux, P., Raoux, D., and Riekel, C. (World Scientific Publishing, Singapore, 1993), p. 179.Google Scholar
3. Frank, W., Hörner, A., Scharwaechter, P., and Kronmüller, H., to appear in Proc. 8th Int. Conf. on Rapidly Quenched Metals, Sendai, 1993;Google Scholar
Hörner, A., PhD thesis, Max-Planck-Institut für Metallforschung, Stuttgart (Germany), 1993.Google Scholar
4. Iparraguirre, E.W., Sietsma, J., Thijsse, B.J., and Pusztai, L., Comp. Mat. Sci. 1, 110 (1993).Google Scholar
5. Allen, M.P. and Tildesley, D.J., Computer Simulation in Liquids (Oxford University Press, 1989).Google Scholar
6. Hausleitner, Ch. and Hafner, J., Phys. Rev. B 47, 5689 (1993).Google Scholar
7. Li, J.C., Cowlam, N., and He, F., J. Non-Cryst. Solids 112 (1989) 101.Google Scholar
8. Thijsse, B.J. and Sietsma, J., to appear in Proc. 8lh Int. Conf. on Rapidly Quenched Metals, Sendai, 1993.Google Scholar
9. Barrat, J.-L, Roux, J.-N., and Hansen, J.-P., Chem. Phys. 149, 197 (1990).Google Scholar
10. WahnströM, G., Phys. Rev. A 44, 3752 (1991).Google Scholar
11. Hiwatari, Y., Miyagawa, H., and Odagaki, T., Solid State Ionics 47, 179 (1991).Google Scholar
12. Thirumalai, D. and Mountain, R.D., Phys. Rev. E 47, 479 (1993).Google Scholar
13. Pastore, G., Bernu, B., Hansen, J.-P., and Hiwatari, Y., Phys. Rev. A 38, 454 (1988).Google Scholar