铜镍合金的表面张力温度系数的蒙特卡罗模拟

A MONTE CARLO SIMULATION ON THE TEMPERATURE COEFFICIENT OF SURFACE TENSION OF Ni-Cu ALLOYS

本文采用面心立方体结构合金的嵌入原子模型和蒙特卡罗方法，通过计算平衡液态合金体系的内聚功求得铜镍合金的表面张力温度系数，并对模拟方法和结果进行了分析和探讨，给出了三种组分条件下的铜镍合金的表面张力与温度的关系。

In the present contribution, we concern ourselves with the application of the Monte Carlo (MC) method and the embedded-atom method (EAM) to calculate the temperature coefficient of surface tension of Nickel-Copper alloys. The simulation of surface tension is performed through the calculation of cohesive work of the alloy. The relationships of the calculated temperature coefficients with temperature of Ni-40%Cu, Ni-60%Cu and Ni-80%Cu alloys are correlated. As a more direct and easy to perform method, the Monte Carlo simulation is proven to be an acceptable alternative when experimental data are not available, and with the development of computer ability and more reliable inter-particle interaction model, more accurate predictions are expectable.