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金属学报 1998
ELECTRONIC STRVCTURE ANALYSIS OF PRIMARY SLIP PLANES IN HEXAGONAL CLOSE-PACKED METALS
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Abstract:
Based on the electronic structure theory, the electronic structure and some parameters were calculated for hop metals by using the discrete variational Xa cluster method,and the intrinsic relationship between the interaction parameters and the properties of materials was discussed. A criterion of the choice of primary slip planes for hop metals was advanced by using the electronic structure theory. The primary slip planes are (0001) for Zr, Cd, Co, Be;{1010} for Ti, Zr, Mg, and both of (0001) and {1010} for Y and Sc at low temperattire. The conclusions are in agreement with experimental observations.