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基于单个实验可测量的序参量的过冷晶体熔化的平均场模型。

Mean-field model of melting in superheated crystals based on a single experimentally measurable order parameter.

机构信息

Bauman Moscow State Technical University, 2nd Baumanskaya street 5, Moscow, Russia, 105005.

Department of Physics, Hong Kong University of Science and Technology, Clear Water Bay, Hong Kong SAR, China.

出版信息

Sci Rep. 2021 Sep 9;11(1):17963. doi: 10.1038/s41598-021-97124-7.

Abstract

Melting is one of the most studied phase transitions important for atomic, molecular, colloidal, and protein systems. However, there is currently no microscopic experimentally accessible criteria that can be used to reliably track a system evolution across the transition, while providing insights into melting nucleation and melting front evolution. To address this, we developed a theoretical mean-field framework with the normalised mean-square displacement between particles in neighbouring Voronoi cells serving as the local order parameter, measurable experimentally. We tested the framework in a number of colloidal and in silico particle-resolved experiments against systems with significantly different (Brownian and Newtonian) dynamic regimes and found that it provides excellent description of system evolution across melting point. This new approach suggests a broad scope for application in diverse areas of science from materials through to biology and beyond. Consequently, the results of this work provide a new guidance for nucleation theory of melting and are of broad interest in condensed matter, chemical physics, physical chemistry, materials science, and soft matter.

摘要

熔融是研究最多的相变之一,对原子、分子、胶体和蛋白质系统都很重要。然而,目前还没有微观上可实验获得的标准,可以可靠地跟踪系统在相变过程中的演化,同时提供对熔融成核和熔融前沿演化的深入了解。为了解决这个问题,我们开发了一个理论均场框架,将相邻 Voronoi 胞中粒子之间的归一化均方位移作为局部有序参数,可通过实验测量。我们在一系列胶体和计算机粒子分辨实验中对该框架进行了测试,这些实验针对的系统具有明显不同的(布朗和牛顿)动力学状态,结果表明该框架能够很好地描述系统在熔点处的演化。这种新方法为从材料到生物学再到其他领域的科学提供了广泛的应用前景。因此,这项工作的结果为熔融成核理论提供了新的指导,并在凝聚态物质、物理化学、化学物理、材料科学和软物质等领域引起了广泛的关注。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/01a5/8429456/92882bf05c28/41598_2021_97124_Fig1_HTML.jpg

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