过冷液体中的不可逆重组起源于局域软模
Irreversible reorganization in a supercooled liquid originates from localised soft modes
摘要：
冷却时流体向刚性玻璃的转变是从液体向固体转变的常见途径，其体现了两个相的最不了解的特征1，2，3。从液体的角度来看，难题在于理解无序状态下的应力松弛。从固体的角度来看，挑战是将我们对结构及其力学后果的描述扩展到没有长程序的材料。利用计算机模拟，我们表明，本地化的低频正常模式的配置在一个过冷液体的因果关系，该配置内的粒子的不可逆结构重组。我们还表明，这些软本地模式的空间分布可以持续，尽管显着的粒子重组。这两个结果的后果是，它现在是可行的，以构建一个理论的松弛长度尺度在玻璃形成液体不求助于动力学，并明确涉及到他们的集体松弛分子性质。
英文摘要：
The transition of a fluid to a rigid glass upon cooling is a common route of transformation from liquid to solid that embodies the most poorly understood features of both phases1,2,3. From the liquid perspective, the puzzle is to understand stress relaxation in the disordered state. From the perspective of solids, the challenge is to extend our description of structure and its mechanical consequences to materials without long range order. Using computer simulations, we show that the localized low frequency normal modes of a configuration in a supercooled liquid are causally correlated to the irreversible structural reorganization of the particles within that configuration. We also demonstrate that the spatial distribution of these soft local modes can persist in spite of significant particle reorganization. The consequence of these two results is that it is now feasible to construct a theory of relaxation length scales in glass-forming liquids without recourse to dynamics and to explicitly relate molecular properties to their collective relaxation.
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