AB-INITIO THEORY OF DISLOCATION INTERACTIONS - FROM CLOSE-RANGE SPONTANEOUS ANNIHILATION TO THE LONG-RANGE CONTINUUM-LIMIT

被引:63
作者
ARIAS, TA
JOANNOPOULOS, JD
机构
[1] Department of Physics, Massachusetts Institute of Technology, Cambridge
关键词
D O I
10.1103/PhysRevLett.73.680
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Parallel supercomputer technology now permits ab initio studies of systems of sufficient size to explore the interactions among dislocations in a solid. This study shows that the silicon shuffle-set (110) screw dislocation is stable against spontaneous dissociation, provides an ab initio value for the dislocation core energy, demonstrates a dislocation-antidislocation interaction approaching the classical limit within a few tens of angstroms, and reveals a pathway for the spontaneous mutual annihilation of a dislocation dipole of the type that occurs when a Frank-Read source emits a dislocation loop.
引用
收藏
页码:680 / 683
页数:4
相关论文
共 26 条
  • [21] ITERATIVE MINIMIZATION TECHNIQUES FOR ABINITIO TOTAL-ENERGY CALCULATIONS - MOLECULAR-DYNAMICS AND CONJUGATE GRADIENTS
    PAYNE, MC
    TETER, MP
    ALLAN, DC
    ARIAS, TA
    JOANNOPOULOS, JD
    [J]. REVIEWS OF MODERN PHYSICS, 1992, 64 (04) : 1045 - 1097
  • [22] POHORYLES B, 1990, POLYCRYSALLINE SEMIC, V2, P40
  • [23] READ WT, 1954, PHILOS MAG, V45, P775
  • [24] READ WT, 1954, PHILOS MAG, V45, P1119
  • [25] SHOCKLEY W, 1953, PHYS REV, V91, P228
  • [26] TEICHLER H, 1989, I PHYS C SER, V104, P57