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Theory and Monte Carlo calculation of the tracer correlation factor
| Content Provider | Scilit |
|---|---|
| Author | Kelly, S. W. Sholl, C. A. |
| Copyright Year | 1987 |
| Description | Journal: Journal of Physics C: Solid State Physics Some expressions for the tracer correlation factor f for diffusion by the vacancy mechanism are reviewed and their equivalence justified. In the case of the low-vacancy-concentration limit it is proved that the probability of the second jump of an atom being the reverse of the first is 2/Z where Z is the coordination number of the lattice. This result provides a simple derivation of f in some cases and gives a physical interpretation of the approximation f=1-2/Z. The Monte Carlo evaluation of f is discussed and quantitative estimates made of the number of atoms to be sampled to achieve a given accuracy. Calculated values of the averaged cosines of angles between the direction of an initial jump and the direction of the (k+1)th jump of an atom are presented for the cubic lattices and for the honeycomb lattice. It is deduced that the nature of the correlations in the low-vacancy-concentration limit are different to those at other vacancy concentrations. |
| Related Links | http://iopscience.iop.org/article/10.1088/0022-3719/20/32/015/pdf |
| Ending Page | 5304 |
| Page Count | 12 |
| Starting Page | 5293 |
| ISSN | 00223719 |
| DOI | 10.1088/0022-3719/20/32/015 |
| Journal | Journal of Physics C: Solid State Physics |
| Issue Number | 32 |
| Volume Number | 20 |
| Language | English |
| Publisher | IOP Publishing |
| Publisher Date | 1987-11-20 |
| Access Restriction | Open |
| Subject Keyword | Journal: Journal of Physics C: Solid State Physics Condensed Matter Physics Coordination Number Monte Carlo |
| Content Type | Text |
| Resource Type | Article |
| Subject | Physics and Astronomy Condensed Matter Physics Engineering |
