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Role of Structure and Entropy in Determining Differences in Dynamics for Glass Formers with Different Interaction Potentials.

作者信息

Banerjee Atreyee, Sengupta Shiladitya, Sastry Srikanth, Bhattacharyya Sarika Maitra

机构信息

Polymer Science and Engineering Division, CSIR-National Chemical Laboratory, Pune 411008, India.

TIFR Centre for Interdisciplinary Sciences, 21 Brundavan Colony, Narsingi, Hyderabad 500075, India.

出版信息

Phys Rev Lett. 2014 Nov 28;113(22):225701. doi: 10.1103/PhysRevLett.113.225701. Epub 2014 Nov 26.

Abstract

We present a study of two model liquids with different interaction potentials, exhibiting similar structure but significantly different dynamics at low temperatures. By evaluating the configurational entropy, we show that the differences in the dynamics of these systems can be understood in terms of their thermodynamic differences. Analyzing their structure, we demonstrate that differences in pair correlation functions between the two systems, through their contribution to the entropy, dominate the differences in their dynamics, and indeed overestimate the differences. Including the contribution of higher order structural correlations to the entropy leads to smaller estimates for the relaxation times, as well as smaller differences between the two studied systems.

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