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Dense and Nearly Jammed Random Packings of Freely Jointed Chains of Tangent Hard Spheres

机译:切线坚硬球体的自由连接链的密集且几乎堵塞的随机堆积

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摘要

Dense packings of freely jointed chains of tangent hard spheres are produced by a novel Monte Carlo method. Within statistical uncertainty, chains reach a maximally random jammed (MRJ) state at the same volume fraction as packings of single hard spheres. A structural analysis shows that as the MRJ state is approached (i) the radial distribution function for chains remains distinct from but approaches that of single hard sphere packings quite closely, (ii) chains undergo progressive collapse, and (iii) a small but increasing fraction of sites possess highly ordered first coordination shells.
机译:通过新颖的蒙特卡洛方法生产的切线硬球自由连接链的致密堆积。在统计不确定性范围内,链条在与单个硬球堆积相同的体积分数下达到最大随机卡塞(MRJ)状态。结构分析表明,随着接近MRJ状态,(i)链的径向分布函数仍然与单个硬球堆积物的径向分布函数截然不同,但非常接近,(ii)链进行性塌陷,(iii)很小但不断增加一部分站点拥有高度有序的第一协调壳。

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