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Journal articles
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.
Keywords :
Equilibrium Vacancy Concentration
https://hal-cea.archives-ouvertes.fr/cea-02384659
Contributor : Amplexor Amplexor Connect in order to contact the contributor
Submitted on : Thursday, November 28, 2019 - 2:41:35 PM
Last modification on : Monday, December 13, 2021 - 9:14:39 AM
Contributor : Amplexor Amplexor Connect in order to contact the contributor
Submitted on : Thursday, November 28, 2019 - 2:41:35 PM
Last modification on : Monday, December 13, 2021 - 9:14:39 AM