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arXiv 1007.0197cond-mat.soft
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胶体碗状粒子的相行为和结构:模拟

Phase behavior and structure of colloidal bowl-shaped particles: simulations

Matthieu Marechal, Marjolein Dijkstra

摘要:

我们利用计算机模拟研究了碗状粒子的相行为。实验发现这些颗粒形成亚稳定的蠕虫状流体相,其中碗状颗粒具有彼此堆叠的强烈倾向[M.Marechal等人,Nano Letters 10,1907(2010)]。在这项工作中,我们表明,从低密度流体的蠕虫状相的过渡状态方程有一个有趣的效果。模拟结果还表明,蠕虫状的流体相自发地转化为柱状相碗是足够深。此外,我们描述的相行为,从自由能计算采用蒙特卡罗模拟。对于从无限薄的碗到令人惊讶的浅碗的碗形状,柱状相是稳定的。除了一个大的区域的稳定的柱状相,相图功能四个新的晶相和一个区域,稳定的流体包含蠕虫状堆栈。

英文摘要:

We study the phase behavior of bowl-shaped particles using computer simulations. These particles were found experimentally to form a meta-stable worm-like fluid phase in which the bowl-shaped particles have a strong tendency to stack on top of each other [M.Marechal et al, Nano Letters 10, 1907 (2010)]. In this work, we show that the transition from the low-density fluid to the worm-like phase has an interesting effect on the equation of state. The simulation results also show that the worm-like fluid phase transforms spontaneously into a columnar phase for bowls that are sufficiently deep. Furthermore, we describe the phase behavior as obtained from free energy calculations employing Monte Carlo simulations. The columnar phase is stable for bowl shapes ranging from infinitely thin bowls to surprisingly shallow bowls. Aside from a large region of stability for the columnar phase, the phase diagram features four novel crystal phases and a region where the stable fluid contains worm-like stacks.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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