Effect of size polydispersity on the crystal-fluid and crystal-glass transition in hard-core repulsive Yukawa systems.
Effect of size polydispersity on the crystal-fluid and crystal-glass transition in hard-core repulsive Yukawa systems.
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尺寸多分散性对硬核排斥汤川系统中晶体-流体和晶体-玻璃转变的影响。
DOI：
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发表时间：
2013
影响因子：
4.4
通讯作者：
M. Dijkstra
中科院分区：
文献类型：
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作者：
Marjolein N. van der Linden;A. van Blaaderen;M. Dijkstra
通过对Yukawa参数空间中几个状态点的蒙特卡罗模拟，研究了尺寸多分散性对硬核排斥Yukawa系统晶液相变的影响。在该体系中引入了尺寸多分散性，不同直径的颗粒具有相同的表面电势ψ0，但每颗粒的电荷不随堆积分数或距离而变化。我们观察到随着多分散度的增加，具有固定对数正态尺寸分布的大块晶体的晶流转变的堆积分数增加，这对于弱电荷粒子(ψ0≈23 mV)比高电荷粒子(ψ0≈46 mV)更加明显，并且随着德拜屏蔽长度的增加也更加明显。在高多分散度(≥0.13)下，较高带电体系的一部分最初是晶态的，但变成了非晶态。无定形部分的多分散度高于结晶部分，表明存在末端多分散度，超过该多分散度，均匀晶相不再稳定。
We investigated the effect of size polydispersity on the crystal-fluid transition in hard-core repulsive Yukawa systems by means of Monte Carlo simulations for several state points in the Yukawa parameter space. Size polydispersity was introduced in the system only with respect to the hard particle cores; particles with different diameters had the same surface potential ψ0, but the charge per particle was not varied with packing fraction or distance. We observed a shift to higher packing fraction of the crystal-fluid transition of bulk crystals with a fixed log-normal size distribution upon increasing the polydispersity, which was more pronounced for weakly charged particles (ψ0 ≈ 23 mV) compared to more highly charged particles (ψ0 ≈ 46 mV), and also more pronounced for larger Debye screening length. At high polydispersities (≥0.13) parts of the more highly charged systems that were initially crystalline became amorphous. The amorphous parts had a higher polydispersity than the crystalline parts, indicating the presence of a terminal polydispersity beyond which the homogeneous crystal phase was no longer stable.
影响因子：
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作者：
J. Gomes;J. Gomes;F. Illas
通讯作者：
J. Gomes;J. Gomes;F. Illas