机构:
De Montfort Univ, Emerging Technol Res Ctr, Leicester LE1 9BH, Leics, EnglandDe Montfort Univ, Emerging Technol Res Ctr, Leicester LE1 9BH, Leics, England
De Souza, MM
[1
]
Narayanan, EMS
论文数: 0引用数: 0
h-index: 0
机构:
De Montfort Univ, Emerging Technol Res Ctr, Leicester LE1 9BH, Leics, EnglandDe Montfort Univ, Emerging Technol Res Ctr, Leicester LE1 9BH, Leics, England
Narayanan, EMS
[1
]
机构:
[1] De Montfort Univ, Emerging Technol Res Ctr, Leicester LE1 9BH, Leics, England
来源:
DEFECT AND DIFFUSION FORUM/JOURNAL
|
1998年
/
153卷
关键词:
trapping;
ab initio;
local density approximation;
Monte Carlo;
molecular dynamics;
empirical potential;
electronic tight binding;
Car-Parinello;
Green's functions;
supercell;
pseudopotential;
interstitials;
vacancies;
extended defects;
entropy;
formation;
migration;
activation energy;
D O I:
暂无
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
In this paper, a brief overview of various techniques used to study self-diffusion is presented. Point defect parameters extracted from various theoretical studies have been summarised. In comparison to experimental results, the magnitudes of errors in theoretical calculations have reduced significantly over the years. However, a significant discrepancy between experiment and theory still exists, because the apparent activation energy of self-diffusion measured from experiments is about 1 eV higher than that predicted by theory.