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Simulation of Vacancy Migration in B.C.C. Metals
Author(s) -
Fritzsch B.,
Zehe A.,
Fritzsch R.
Publication year - 1989
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221560105
Subject(s) - vacancy defect , diffusion , atom (system on chip) , lattice (music) , lattice diffusion coefficient , impurity , materials science , chemical physics , lattice constant , crystallography , binding energy , chemistry , condensed matter physics , thermodynamics , atomic physics , physics , effective diffusion coefficient , medicine , organic chemistry , radiology , computer science , acoustics , magnetic resonance imaging , diffraction , optics , embedded system
With the help of moleculardynamic calculations the diffusion via vacancies as the dominant mechanism in b.c.c. metals is studied. The interaction between atoms in the block are described by potentials of the Lennard‐Jones type. For selfdiffusion a linear dependence between the migration and binding energy of the crystal is found, unrestricted by the lattice constant. On the contrary, for impurity diffusion in the model the size of the diffusing atom influences essentially the diffusion behaviour.