面心立方金属电子结构及滑移系的选择

Electron Structure and Selection of Slip Systems in fcc Metals

运用离散变分Ｘα原子簇方法计算了面心立方金属的电子结构及其相互作用参数，讨论了相互作用参数与材料宏观性能间的内在联系，提出了基于电子结构理论的面心立方金属滑移系选择的判据．低温下ｆｃｃ金属为｛１１１｝〈１１０〉

The electronic structure and its interacted parameters of face center cube (fcc) metals are calculated by using the discrete variational Xα cluster method,and the intrinsic relationship between the interaction parameters and the macro properties of materials is discussed.A criterion of the selection of slip systems for fcc metals is issued,based on the electronic structure theory.The primary slip systems for fcc metals at low temperature are {111}〈110〉. [