Diffusion in models for disordered media without lattice-translational invariance
Diffusion in models for disordered media without lattice-translational invariance
The central theme of the present work is the diffusion of interstitial particles in models for disorder without translational invariance. For realistic disordered systems with lack of lattice-translational invariance, i.e. amorphous metals or glasses, any attempts to perform analytic calculations of...
| Personal Name(s): | Mussawisade, K. (Corresponding author) |
|---|---|
| Contributing Institute: |
Publikationen vor 2000; PRE-2000; Retrocat |
| Imprint: |
Jülich
Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag
2000
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| Physical Description: |
110 p. |
| Document Type: |
Report Book |
| Research Program: |
ohne Topic |
| Series Title: |
Berichte des Forschungszentrums Jülich
3754 |
| Link: |
OpenAccess OpenAccess |
| Publikationsportal JuSER |
|
The central theme of the present work is the diffusion of interstitial particles in models for disorder without translational invariance. For realistic disordered systems with lack of lattice-translational invariance, i.e. amorphous metals or glasses, any attempts to perform analytic calculations of the diffusion coefficient of interstitials seem hopeless. Hence one has to resort to numerical calculations. In this work an atomic configuration of a glass, which was calculated by MD simulations, is taken as the basis for the calculations. The position of equilibrium sites for the interstitial and the jump rates between the sites in the configuration are calculated by considering the underlying potential surface. The sites are connected by finding optimal paths between two neighbor sites. In this way a disordered network of sites was constructed, which can be considered as a disorder model which is more realistic than conventional disorder models, where disordered rates are introduced on regular lattices. Monte Carlo simulation are then performed in order to investigate the diffusion. |