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Self-diffusion in clusters

An analytical model and its verification by molecular dynamics simulations.

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Abstract.

In this paper we propose a new analytical model for diffusion in a condensed system that describes the process in terms of the dynamics of the system on the potential energy surface (PES). Theoretical predictions are compared with the results of molecular dynamics (MD) simulations for the Lennard–Jones (LJ) clusters and show good agreement with them.

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Authors and Affiliations

  1. Department of Physics, Novosibirsk State University, 630090 Novosibirsk, Russia, , , , , , RU

    S.V. Krivov & S.F. Chekmarev

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  1. S.V. Krivov
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  2. S.F. Chekmarev
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Received: 1 September 1998 / Received in final form: 15 October 1998

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Krivov, S., Chekmarev, S. Self-diffusion in clusters . Eur. Phys. J. D 9, 205–209 (1999). https://doi.org/10.1007/s100530050427

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  • DOI: https://doi.org/10.1007/s100530050427

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