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Vibrational scaling of the heterogeneous dynamics detected by mutual information

机译:通过相互信息检测的异构动力学的振动缩放

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The correlations detected by the mutual information in the propensities of a molecular viscous liquid are studied by molecular-dynamics simulations. Dynamic heterogeneity is evidenced and two particle fractions with different mobility and relaxation identified. The two fractions exhibit the scaling of their relaxation in terms of the rattling amplitude of the particle trapped in the cage of the first neighbours < u(2)& rang; . The scaling master curve does not differ from the one found for bulk systems, thus confirming identical results previously reported in other systems with strong dynamic heterogeneity as thin molecular films. The excitation of planar and globular structures at short and long times with respect to structural relaxation, respectively, is revealed. Some of the globular structures are different from the ones evidenced in atomic mixtures. States with equal < u(2)& rang; are found to have identical time dependence of several quantities, referring to both bulk and the two fractions with heterogeneous dynamics, at least up to the structural relaxation time tau(alpha).
机译:通过分子动力学模拟研究了在分子粘性液体施力中检测的相互信息检测的相关性。可以证明动态异质性,并且鉴定了两个具有不同迁移率和松弛的颗粒级分。两种级分在捕获在第一邻居笼中的粒子的响铃幅度

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