冻结的结构前兆：积分方程研究
Structural precursor to freezing: An integral equation study
摘要：
最近的模拟研究引起了人们的注意的肩膀，形成在第二个高峰的径向分布函数的硬球密度接近冻结，这是与当地的晶体有序的致密流体。我们解决这个结构的前体冻结使用非齐次积分方程理论能够描述本地包装约束的高精度。短程吸引相互作用的添加导致众所周知的流体-固体共存区域作为吸引强度的函数的加宽。在我们计算的径向分布函数的肩膀的外观被发现是一致的，为一个简单的模型势的共存区域扩大，从而表明，肩不完全是一个高密度堆积效应。
英文摘要：
Recent simulation studies have drawn attention to the shoulder which forms in the second peak of the radial distribution function of hard-spheres at densities close to freezing and which is associated with local crystalline ordering in the dense fluid. We address this structural precursor to freezing using an inhomogeneous integral equation theory capable of describing local packing constraints to a high level of accuracy. The addition of a short-range attractive interaction leads to a well known broadening of the fluid-solid coexistence region as a function of attraction strength. The appearence of a shoulder in our calculated radial distribution functions is found to be consistent with the broadened coexistence region for a simple model potential, thus demonstrating that the shoulder is not exclusively a high density packing effect.
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