Vacancy walk and its impact on the character of phase transitions
- Author(s)
- David Reith, Wolfgang Püschl, Wolfgang Pfeiler, Ferdinand Haider
- Abstract
The vacancy walk in intermetallics of type L12 and B2 was studied by using Monte-Carlo simulation with a residence time algorithm. To decide between a homogeneous or heterogeneous state of the system, a coarse graining procedure was introduced, and the mean square deviation of the local order parameter was taken as a measure of heterogeneity. It was found that a sufficient fraction of lattice sites must be visited by a vacancy so that a phase transformation can be observed as homogeneous throughout the volume of a crystal. It is explained why this criterion should be preferred over an earlier one where overlap of the mean quadratic random walk distances of vacancy migration was considered.
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Universität Augsburg
- Volume
- 2
- Pages
- 765-770
- No. of pages
- 6
- Publication date
- 2005
- Austrian Fields of Science 2012
- 1030 Physics, Astronomy
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/vacancy-walk-and-its-impact-on-the-character-of-phase-transitions(1fe460cf-0b4a-495b-92ef-7c288aa61f52).html