Université Paris-Saclay (Bâtiment Bréguet, 3 Rue Joliot Curie 2e ét, 91190 Gif-sur-Yvette - France)
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.
https://hal-cea.archives-ouvertes.fr/cea-02384659 Contributor : Amplexor AmplexorConnect 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