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Journal Articles Physical Review Letters Year : 2015

Equilibrium Vacancy Concentration Driven by Undetectable Impurities

Abstract

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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Dates and versions

cea-02384659 , version 1 (28-11-2019)

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Thomas Schüler, Caroline Barouh, Maylise Nastar, Chu-Chun Fu. Equilibrium Vacancy Concentration Driven by Undetectable Impurities. Physical Review Letters, 2015, 115 (1), ⟨10.1103/PhysRevLett.115.015501⟩. ⟨cea-02384659⟩
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