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胶体团簇的能量景观:热力学和重排机制。

Energy landscapes of colloidal clusters: thermodynamics and rearrangement mechanisms.

机构信息

Université Claude Bernard Lyon 1 and CNRS, LASIM, 43 Bd du 11 Novembre 1918, F69622, Villeurbanne cedex, France.

出版信息

Nanoscale. 2012 Feb 21;4(4):1085-100. doi: 10.1039/c1nr10679a. Epub 2011 Oct 6.

Abstract

New experiments involving direct observation of colloidal clusters by optical microscopy promise to deliver a wealth of new information about such systems. Calculations suggest that some of the observable properties may be predicted using a simple pairwise potential to represent the interparticle forces, but in a range of parameter space that is distinctly different from previous representations of atomic clusters. The present contribution provides some benchmark calculations and predictions of structure, thermodynamics and rearrangement mechanisms for colloidal clusters containing up to 80 particles. The results suggest that distinct features characteristic of short-ranged interactions should be observable in terms of the structure, thermodynamics and dynamical properties. Analysis of a kinetic transition network for the 19-particle cluster reveals super-Arrhenius behaviour in the dynamics, analogous to a 'fragile' glass-former.

摘要

新的实验涉及通过光学显微镜直接观察胶体团簇,有望提供有关此类系统的大量新信息。计算表明,使用简单的成对势来表示粒子间的相互作用力,可以预测一些可观察到的性质,但在参数空间的范围与之前的原子团簇表示明显不同。本贡献提供了一些基准计算和预测,涉及含有多达 80 个粒子的胶体团簇的结构、热力学和重排机制。结果表明,在结构、热力学和动力学性质方面,应该可以观察到具有短程相互作用特征的明显特征。对 19 粒子团簇的动力学跃迁网络的分析揭示了动力学中的超 Arrhenius 行为,类似于“脆弱”的玻璃形成体。

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