Identity crisis in alchemical space drives the entropic colloidal glass transition
Identity crisis in alchemical space drives the entropic colloidal glass transition
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DOI：
10.1038/s41467-018-07977-2
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发表时间：
2019-01
影响因子：
16.6
通讯作者：
E. Teich;Greg van Anders;S. Glotzer
中科院分区：
文献类型：
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作者：
E. Teich;Greg van Anders;S. Glotzer
尽管玻璃在我们的日常生活中无处不在，玻璃化转变在无数的现代技术中得到了利用，并且进行了近世纪的理论和实验研究，但人们仍然在热烈地追求一种普遍接受的解释，即为什么液体有时会玻璃化而不是结晶。其中最引人注目的假设机制的玻璃形成是在流体相的局部结构，以某种方式防止结晶的发展。在这里，我们探讨的机制，在硬颗粒玻璃的情况下，通过检查在扩展的炼金术（在这里，形状）空间的玻璃化转变;也就是说，一个空间，粒子形状被视为热力学变量。我们调查简单系统的硬多面体，没有相互作用，除了体积排斥，并通过蒙特卡罗模拟显示，在这些系统中的玻璃形成产生于多种竞争的本地图案，其中每一个都是普遍的，并可预测的附近有序的结构在炼金术空间。
A universally accepted explanation for why liquids sometimes vitrify rather than crystallize remains hotly pursued, despite the ubiquity of glass in our everyday lives, the utilization of the glass transition in innumerable modern technologies, and nearly a century of theoretical and experimental investigation. Among the most compelling hypothesized mechanisms underlying glass formation is the development in the fluid phase of local structures that somehow prevent crystallization. Here, we explore that mechanism in the case of hard particle glasses by examining the glass transition in an extended alchemical (here, shape) space; that is, a space where particle shape is treated as a thermodynamic variable. We investigate simple systems of hard polyhedra, with no interactions aside from volume exclusion, and show via Monte Carlo simulation that glass formation in these systems arises from a multiplicity of competing local motifs, each of which is prevalent in—and predictable from—nearby ordered structures in alchemical space.