Open AccessNecessary Duration of Molecular Dynamics Simulation for Calculation of Self-Diffusion Coefficient during Migration of Different Point Defects in Nickel
Author(s) -
Г. М. Полетаев,
E. N. Kovalenko,
Н.М. Гурова,
M. A. Il’ina
Publication year - 2018
Publication title -
izvestiâ altajskogo gosudarstvennogo universiteta
Language(s) - English
Resource type - Journals
eISSN - 1561-9451
pISSN - 1561-9443
DOI - 10.14258/izvasu(2018)1-06
Subject(s) - diffusion , mean squared displacement , atom (system on chip) , impurity , molecular dynamics , vacancy defect , embedded atom model , materials science , crystallographic defect , melting point , hydrogen , interatomic potential , hydrogen atom , atomic physics , thermodynamics , chemistry , crystallography , computational chemistry , physics , group (periodic table) , organic chemistry , computer science , composite material , embedded system