Cu基合金母相结构的计算和黄金分割法寻优

The Calculation of the Parent Strmcture of the Cu-based Alloy and Golden Section Search Optimization

本文采用嵌入原子法，计算了成分为Ｃｕ＿７０．３Ａｌ＿２５．１Ｎｉ＿４．６（ａｙ％）形状记忆合金母相在不同有序度下的总能及对在的晶格常数，并用黄金分割法对计算程序进行了优化，结果显示，随着有序度增大，晶格常数趋于减小，晶体结构趋于稳定。

Using the Embedded Atom Method(EAM),the total energies and corresponding Lattice parameters with different degrees of order for the payment phase of the Cu_70.3Al25.1Ni_4.6(at%)Shape Memory alloy(SMA) have been calculated,and the golden section search is used for the programme optimization design, It is shown that with the order degree increases,the lattice paremeter decreases and the structure tends to be stable.