作者
Thomas Schuler, Caroline Barouh, Maylise Nastar, Chu-Chun Fu
发表日期
2015/6/29
期刊
Physical review letters
卷号
115
期号
1
页码范围
015501
出版商
American Physical Society
简介
By means of ab initio calculations combined to statistical mechanics, we provide new evidence that an experimentally undetectable tiny amount of impurities can be responsible for drastic changes in vacancy concentrations ([V]), inducing large deviations from an Arrhenius law even at low temperature. It is the case of O and N in α− Fe. The present finding is fully compatible with existing experiments, and changes the previous common vision that C has the dominant effect. This study provides a route for bridging the longstanding theoretical-experimental gap on the prediction of [V] in metals.
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