Point defects in molybdenum
- 1 May 1974
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine
- Vol. 29 (5) , 1137-1147
- https://doi.org/10.1080/14786437408226598
Abstract
The displacement fields around an isolated vacancy, an interstitial and a number of divacancy configurations in molybdenum have been calculated using a method of direct minimization of the potential energy of the real-space atomic configuration. The atomic interaction is described by a short-range empirical pair-wise potential which is matched to the elastic constants and the vacancy formation energy (2·2 eV). The interstitial formation energy is found to be 8 eV and the most stable divacancy configuration occurs at a separation of [2, 0, 0]α with a binding energy of 0·33 eV.Keywords
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