论文标题
简单液体金属的逆问题在熔点处液体铝的研究案例
The Inverse Problem for Simple Liquid Metals a Study Case on Liquid Aluminum at Melting Point
论文作者
论文摘要
为了测试解决液体金属的逆问题的可能性，即从实验结构因子中获得有效对电位的可能性，我们求解了在熔融温度下修饰的液体铝的修饰的超注 - 链积分方程，以获得从实验结构因子开始的有效对电位，并将其与从理论考虑中获得的潜在获得。然后，我们使用通过求解蒙特卡洛模拟中的反问题来测试获得的电势，并将液体铝的计算结构因子与实验进行比较。我们表明，在这种情况下，逆问题的解决方案给出了合理的定量结果，并重现了对势的一般特征，结构因子的结果与实验测量不远。
In an attempt to test the possibility of solving the inverse problem for liquid metals i.e. obtaining the effective pair potential from the experimental structure factor, we solve the modified Hypernetted-Chain Integral equation for liquid aluminum at melting temperature to obtain the effective pair potential starting from the experimental structure factor and compare it with the potential obtained from theoretical considerations. Then we use the potential obtained by solving the inverse problem in Monte Carlo simulation to test it, and the calculated structure factor of the liquid aluminum is compared with experiment. We show that the solution of the inverse problem in such cases gives reasonable quantitative results, and reproduces the general features of the pair potential and the results for the structure factor are not far from the experimental measurements.
