English

Diffusion and jump-length distribution in liquid and amorphous Cu$_{33}$Zr$_{67}$

Disordered Systems and Neural Networks 2009-11-11 v1

Abstract

Using molecular dynamics simulation, we calculate the distribution of atomic jum ps in Cu33_{33}Zr67_{67} in the liquid and glassy states. In both states the distribution of jump lengths can be described by a temperature independent exponential of the length and an effective activation energy plus a contribution of elastic displacements at short distances. Upon cooling the contribution of shorter jumps dominates. No indication of an enhanced probability to jump over a nearest neighbor distance was found. We find a smooth transition from flow in the liquid to jumps in the g lass. The correlation factor of the diffusion constant decreases with decreasing temperature, causing a drop of diffusion below the Arrhenius value, despite an apparent Arrhenius law for the jump probability.

Keywords

Cite

@article{arxiv.cond-mat/0502609,
  title  = {Diffusion and jump-length distribution in liquid and amorphous Cu$_{33}$Zr$_{67}$},
  author = {M. Kluge and H. R. Schober},
  journal= {arXiv preprint arXiv:cond-mat/0502609},
  year   = {2009}
}