粘性液体中的局部优先结构和多体静力学关联
Locally preferred structures and many-body static correlations in viscous liquids
摘要：
我们调查的静态相关性的影响，对选定的模型玻璃形成者的动力学。我们比较了两个著名的Lennard-Jones混合物以及相应的Weeks-Chandler-Andersen变体的Voronoi多面体的对结构，角分布函数和统计，其中潜在的吸引力部分被截断。通过Voronoi结构，我们确定了相应的局部优选结构的模型的原子排列。我们发现，由互连的局部优选结构形成的域的增长信号的慢动力学制度的开始，并允许合理化的模型的不同的动力学行为。在低温下，在固定的弛豫时间评估的结构相关域的空间延伸，增加与模型的脆弱性，并通过截断的吸引力系统地减少。鉴于这些结果，在玻璃化转变理论中适当纳入多体静态相关性对于描述脆性玻璃形成者的动力学是至关重要的。
英文摘要：
We investigate the influence of static correlations beyond the pair level on the dynamics of selected model glass-formers. We compare the pair structure, angular distribution functions, and statistics of Voronoi polyhedra of two well-known Lennard-Jones mixtures as well as of the corresponding Weeks-Chandler-Andersen variants, in which the attractive part of the potential is truncated. By means of the Voronoi construction we identify the atomic arrangements corresponding to the locally preferred structures of the models. We find that the growth of domains formed by interconnected locally preferred structures signals the onset of the slow dynamics regime and allows to rationalize the different dynamic behaviors of the models. At low temperature, the spatial extension of the structurally correlated domains, evaluated at fixed relaxation time, increases with the fragility of the models and is systematically reduced by truncating the attractions. In view of these results, proper inclusion of many-body static correlations in theories of the glass transition appears crucial for the description of the dynamics of fragile glass-formers.
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