体心立方金属中间隙杂质原子组态的弹性研究——Ⅰ.间隙杂质原子的位置及扩散激活能

将金属视为一各向同性的、无限大的、均匀的连续弹性介质,利用弹性偶极子的概念,计算了在体心立方金属Fe,W,Mo,Ta,Nb中,间隙杂质原子C,N,O,H在四面体及八面体位置上的位置能。计算结果表明,除了H在W,Mo,Ta,Nb中是占据四面体位置外,其余的情况都是占据八面体位置,并求得了判定间隙原子是处在四面体抑八面体位置的临界半径。后一部分计算了间隙原子在八面体位置间扩散的激活能。所得的结论都与前人的实验结果较好地接近。

AN INVESTIGATION OF THE CONFIGURATIONS OF INTERSTIALS IN B.C.C. METALS BY ELASTIC METHOD——I. THE POSITION ENERGY AND ACTIVATION ENERGY OF DIFFUSION OF INTERSTIAL IMPURITIES

Assuming the metals to be an isotropic, unbounded and homogenous elastic continuum, the tetrahedral and octahedral position energy of interstials (C,N,O and H) in b.c.c. metals (Fe, W, Mo, Ta and Nb) are evaluated by means of the concept of elastic dipole. The results show that all of them occupy the octahetral positions except H, which in W, Mo, Ta and Nb favours the tetrahedral position, and the critical radius of interstials at which the favoured position is exchanged have been given also. The activation energies of interstials moving between octahedral positions are calculated. The results are compared favourably with previous experiments.