Anomalous structural evolution of soft particles: Equibrium liquid state theory
Anomalous structural evolution of soft particles: Equibrium liquid state theory
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DOI：
10.1039/b926412d
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发表时间：
2009-12
期刊：
影响因子：
3.4
通讯作者：
Hugo Jacquin;L. Berthier
中科院分区：
文献类型：
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作者：
Hugo Jacquin;L. Berthier
利用液相理论的超网状链近似，分析了具有谐波斥力的软球模型中对相关函数随密度的演化。正如最近在被卡住的软粒子实验中观察到的那样，理论预测当密度在恒定温度下增加时，第一个峰值的强度会出现“异常”（非单调）演化。这种结构异常是粒子柔软的直接结果，可以从纯粹的平衡考虑来解释，强调了这种现象的普遍性。这种异常也被预测有一个不平凡的“s形”，随着温度的变化，作为三种不同效应之间竞争的结果，我们将详细描述。计算机模拟支持我们的预测。
We use the hyper-netted chain approximation of liquid state theory to analyze the evolution with density of the pair correlation function in a model of soft spheres with harmonic repulsion. As observed in recent experiments on jammed soft particles, theory predicts an ‘anomalous’ (nonmonotonic) evolution of the intensity of the first peak when density is increased at constant temperature. This structural anomaly is a direct consequence of particle softness, and can be explained from purely equilibrium considerations, emphasizing the generality of the phenomenon. This anomaly is also predicted to have a nontrivial, ‘S-shaped’, evolution with temperature, as a result of a competition between three distinct effects, which we describe in detail. Computer simulations support our predictions.