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Phase transitions of two-dimensional dipolar fluids in external fields

机译:二维偶极流体在外场中的相变

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In this work, we study condensation phase transitions of two-dimensional Stockmayer fluids under additional external fields using Monte-Carlo (MC) simulations in the grand-canonical ensemble. We employ two recently developed methods to determine phase transitions in fluids, namely Wang-Landau (WL) MC simulations and successive-umbrella (SU) sampling. Considering first systems in zero field (and dipolar coupling strengths 23 6), we demonstrate that the two techniques yield essentially consistent results but display pronounced differences in terms of efficiency. Indeed, comparing the computation times for these systems on a qualitative level, the SU sampling turns out to be significantly faster. In the presence of homogeneous external fields, however, the SU method becomes plagued by pronounced sampling difficulties, yielding the calculation of coexistence lines essentially impossible. Employing the WL scheme, on the other hand, we find phase coexistence even for strongly field-aligned systems. The corresponding critical temperatures are significantly shifted relative to the zero-field case.
机译:在这项工作中,我们使用大正则合集中的蒙特卡洛(MC)模拟研究了在附加外部场下的二维Stockmayer流体的凝结相变。我们采用两种最新开发的方法来确定流体中的相变,即Wang-Landau(WL)MC模拟和连续伞(SU)采样。考虑到零场中的第一个系统(和偶极耦合强度23 6),我们证明了这两种技术可产生基本一致的结果,但在效率方面显示出明显的差异。实际上,在定性水平上比较这些系统的计算时间,SU采样明显更快。但是,在存在均匀的外部场的情况下,SU方法受到明显的采样困难的困扰,从而导致计算共存线基本上是不可能的。另一方面,采用WL方案,即使对于强场对准系统,我们也会发现相位共存。相对于零场的情况,相应的临界温度发生了显着变化。

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