Calculation of antiphase boundary energies in intermetallics
Calculation of antiphase boundary energies in intermetallics
复制标题
金属间化合物中反相边界能的计算
DOI：
10.1016/s0921-5093(97)00249-9
复制
发表时间：
1997
期刊：
影响因子：
6.4
通讯作者：
G. Kostorz
中科院分区：
文献类型：
--
作者：
F. Král;P. Schwander;B. Schönfeld;G. Kostorz
提出了一种计算超位错连续滑移后长程有序合金构型能量变化的方法。长程有序用浓度波描述，计算中使用了由近程有序合金的扩散X射线和中子散射测量确定的有效相互作用参数。应用该方法确定了具有L12、B2和D03结构的金属间化合物在不同滑移系中离解超位错的反相界能。结果与用电子显微镜弱束技术测量超位错离解得到的APB能值基本一致。在实验和计算APB能量的基础上，讨论了临界分辨剪应力的温度依赖性。
A method is presented which allows the configurational energy change of long-range ordered alloys to be evaluated after the successive slip of superpartial dislocations. The long-range order is described by concentration waves, and effective pair interaction parameters determined from diffuse X-ray and neutron scattering measurements on short-range ordered alloys are used in the calculation. The method is applied to determine the antiphase boundary (APB) energies of dissociated superdislocations in different slip systems for intermetallics with L12, B2 and D03structures. The results mostly agree with the values of APB energies obtained from measurements of the dissociation of superdislocations using the weak-beam technique of transmission electron microscopy. On the basis of the APB energies obtained experimentally and by calculation, the temperature dependence of the critical resolved shear stress is discussed.