A closer look at crystallization of parallel hard cubes
A closer look at crystallization of parallel hard cubes
复制标题
仔细观察平行硬立方体的结晶
DOI：
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发表时间：
2001
期刊：
影响因子：
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通讯作者：
B. Mulder
中科院分区：
文献类型：
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作者：
B. Groh;B. Mulder
利用基本测度论(FMT)和广泛的蒙特卡罗模拟对平行硬立方体模型系统进行了研究。在有限尺寸尺度分析中，该系统发生了连续的冻结转变。发现临界点的位置和临界指数与以前的模拟研究有很大的偏差。我们的结果与Heisenberg普适类是相容的。此外，理论和模拟都表明，在高密度下，固相比可能的柱状相在热力学上更稳定。在高密度下，FMT在数量上似乎比在临界密度附近更可靠，临界密度被大大低估了。
The model system of parallel hard cubes is studied by using fundamental measure theory (FMT) and extensive Monte Carlo simulations. A continuous freezing transition occurs in this system to which finite-size scaling analysis is applied. Significant deviations from a previous simulation study are found for the position of the critical point and for the critical exponents. Our results are compatible with the Heisenberg universality class. Moreover, both theory and simulation show that also at high densities the solid phase is thermodynamically more stable than a possible columnar phase. FMT appears quantitatively more reliable at high densities than near the critical density, which is substantially underestimated.