Perspective: Configurational entropy of glass-forming liquids
Perspective: Configurational entropy of glass-forming liquids
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观点：玻璃形成液体的构型熵
DOI：
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发表时间：
2019
期刊：
影响因子：
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通讯作者：
Camille Scalliet
中科院分区：
文献类型：
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作者：
L. Berthier;M. Ozawa;Camille Scalliet
构型熵是表征过冷液体玻璃化转变的重要热力学量之一。尽管几十年的实验，理论和计算研究，一个被广泛接受的定义的组态熵是失踪，其定量表征仍然欺诈与困难，误解和悖论，其物理相关性是生动的辩论。最近的计算进展的动机，我们提供了一个教学的角度在玻璃形成液体的构型熵。我们首先解释为什么组态熵已成为一个关键的数量来描述玻璃材料，从早期的经验观察到现代的理论治疗。我们解释了为什么实际的测量必然需要近似，使其物理解释微妙。然后，我们证明，计算机模拟已成为一个宝贵的工具，以获得精确的，非模糊的，和实验相关的测量的构型熵。我们描述了一组可用的计算工具，为每种方法提供了一个关键的讨论。这种观点应该是有用的实验学家和理论家感兴趣的玻璃材料和复杂系统。
The configurational entropy is one of the most important thermodynamic quantities characterizing supercooled liquids approaching the glass transition. Despite decades of experimental, theoretical, and computational investigation, a widely accepted definition of the configurational entropy is missing, its quantitative characterization remains fraud with difficulties, misconceptions and paradoxes, and its physical relevance is vividly debated. Motivated by recent computational progress, we offer a pedagogical perspective on the configurational entropy in glass-forming liquids. We first explain why the configurational entropy has become a key quantity to describe glassy materials, from early empirical observations to modern theoretical treatments. We explain why practical measurements necessarily require approximations that make its physical interpretation delicate. We then demonstrate that computer simulations have become an invaluable tool to obtain precise, non-ambiguous, and experimentally-relevant measurements of the configurational entropy. We describe a panel of available computational tools, offering for each method a critical discussion. This perspective should be useful to both experimentalists and theoreticians interested in glassy materials and complex systems.
影响因子：
8.6
作者：
Hocky, Glen M.;Markland, Thomas E.;Reichman, David R.
通讯作者：
Reichman, David R.