计算材料学的一个新领域——非平衡晶界偏聚动力学计算

A New Field in Material Calculation-Kinetics Calculation of Non-equilibrium Grain-boundary Segragation

评述了计算材料学的一个新领域——非平衡晶界偏聚动力学计算,讨论了此动力学计算的理论基础、方法,以及所获得的结果和结果的意义。用速些计算方法,首次从实验上求得了空位与溶质原子复合体分别在低张应力状态和无应力状态下的扩散系数。

This paper reviews a new field in material calculation-kinetics calculation of non-equilibrium grain-boundary segregation, and discusses its theories, approaches, and results and the implications of these results. Using these approaches,diffusion coefficients were obtained for the first time for complexes under tensile stress condition and no stress condition respectively.