Simulation of Atomic Structure and Diffusion Characteristics of Point Defects in BCC and FCC Metals
Our recent model has been used to evaluate the point defect characteristics including those determining the effect of pressure on the concentration of vacancies, di-vacancies, interstitials and their diffusion mobility in set of BCC and FCC metals. Our model has been developed to calculate temperature dependences of mentioned features. In contrast to other studies, the vacancy migration volumes have been found for all the metals studied.
Yves Bréchet, Emmanuel Clouet, Alexis Deschamps, Alphonse Finel and Frédéric Soisson
I. Valikova and A. V. Nazarov, "Simulation of Atomic Structure and Diffusion Characteristics of Point Defects in BCC and FCC Metals", Solid State Phenomena, Vols. 172-174, pp. 1222-1227, 2011