Modified lattice‐statics approach to dislocation calculations. II. Application
作者:
Donald M. Esterling,
John A. Moriarty,
期刊:
Journal of Applied Physics
(AIP Available online 1978)
卷期:
Volume 49,
issue 7
页码: 3960-3966
ISSN:0021-8979
年代: 1978
DOI:10.1063/1.325326
出版商: AIP
数据来源: AIP
摘要:
The atomic structure of a 〈110〉 screw dislocation core in aluminum is calculated by the modified lattice‐statics method developed in the preceding paper. The method includes anharmonic as well as harmonic forces and permits relaxation of the atoms in all three dimensions. All forces used in the present calculations were derived from a first‐principles interatomic pair potential obtained via pseudopotential theory. Several significant differences from the ordinary lattice statics results are noted, including the displacement field, Peierl’s energy barrier, and the equilibrium core‐center location.
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