An efficient and accurate method to calculate diffusion coefficient of structured particles. A first case study of Pb diffusion in rare gases

Publié en ligne: 08 déc. 2016

Pages: 158 - 162

DOI: https://doi.org/10.1515/acs-2016-0027

Mots clés

diffusion coefficient, molecular dynamics, rare gas, heavy atoms

© 2016 Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.