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随机钉扎对过冷液体势能景观的影响。

Effects of random pinning on the potential energy landscape of a supercooled liquid.

机构信息

University Chemical Laboratories, Lensfield Road, Cambridge CB2 1EW, United Kingdom.

出版信息

J Chem Phys. 2018 Sep 21;149(11):114503. doi: 10.1063/1.5042140.

Abstract

We use energy landscape methods to investigate the response of a supercooled liquid to random pinning. We classify the structural similarity of different energy minima using a measure of overlap. This analysis reveals a correspondence between distinct particle packings (which are characterised via the overlap) and funnels on the energy landscape (which are characterised via disconnectivity graphs). As the number of pinned particles is increased, we find a crossover from glassy behavior at low pinning to a structure-seeking landscape at high pinning, in which all thermally accessible minima are structurally similar. We discuss the consequences of these results for theories of randomly pinned liquids. We also investigate how the energy landscape depends on the fraction of pinned particles, including the degree of frustration and the evolution of distinct packings as the number of pinned particles is reduced.

摘要

我们使用能量景观方法研究过冷液体对随机钉扎的响应。我们使用重叠度量来对不同能量最小值的结构相似性进行分类。这种分析揭示了不同粒子堆积(通过重叠来描述)和能量景观上的漏斗(通过不连通图来描述)之间的对应关系。随着被钉扎粒子数目的增加,我们发现从低钉扎时的玻璃化行为到高钉扎时的结构寻找景观的转变,其中所有热可及的最小值在结构上都是相似的。我们讨论了这些结果对随机钉扎液体理论的影响。我们还研究了能量景观如何取决于被钉扎粒子的分数,包括不同堆积的受挫程度和随着被钉扎粒子数目的减少而演变。

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