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中国物理学会期刊

液态4He系统对关联函数的路径积分蒙特卡罗模拟

CSTR: 32037.14.aps.59.482

Path integral Monte Carlo simulations for pair correlation function for liquid 4He systems

CSTR: 32037.14.aps.59.482
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  • 利用路径积分蒙特卡罗(PIMC)模拟方法研究了由256个4He原子组成的系统在不同条件下的对关联函数g(r).在标准大气压下(SVP),分别在138 K,167 K,250 K和424 K等四个温度时对系统不同势能的情况的对关联函数进行了计算;另外还讨论了系统的温度和密度对对关联函数的影响.结果发现,系统的势能变化及密度变化都或大或小影响对关联函数,而温度对其影响不是很大.虽然PIMC方法存在有限尺度效应,但是由128和256个4 

    Path integral Monte Carlo (PIMC) simulation is a powerful tool in studying the interacting quantum systems at finite temperatures. In this article, we use PIMC to study the pair correlation function g(r) of the system consisting of 124 4He atoms in different conditions. At saturated-vapor-pressure (SVP), we calculated the pair correlation function g(r) at four different temperatures respectively, that is, T=138 K, 167 K, 250 K and 424 K. We also determined the changes in g(r) when either temperature or density is changed while the other remaines fixed, and found that for different densities and the same temperature, the change in g(r) is remarkable, while for different temperatures but same density, the change is not obvious. We used the microcosmic point of view for g(r) to explain the above phenomenon. Although finite size effects exist in the PIMC method, when comparing the pair correlation function belonging to systems consisted of 128 and 256 4He atoms respectively, differences between them are small. And we can conclude that as the increasing of the simulated system size, differences between simulated system and the real one becomes smaller and smaller. So in this particle, the properties educed from the simulated system consisted of 256 4He atoms can represent those of the real liquid system.

     

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