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Self-diffusion in clusters

An analytical model and its verification by molecular dynamics simulations
  • S. V. Krivov
  • S. F. Chekmarev
Conference paper

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.

PACS

36.40.−c Atomic and molecular clusters 66.10.−x Diffusion and ionic conduction in liquids 66.30.−h Diffusion in solids 

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Copyright information

© Springer-Verlag Italia 1999

Authors and Affiliations

  • S. V. Krivov
    • 1
  • S. F. Chekmarev
    • 1
    • 2
  1. 1.Department of PhysicsNovosibirsk State UniversityNovosibirskRussia
  2. 2.Institute of ThermophysicsNovosibirskRussia

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