通过随机粒子键合创建平衡玻璃态
Creating equilibrium glassy states via random particle bonding
AI总结：
针对随机键合制备的无定形固体易老化的问题，本研究通过理论与计算分析提出可生成平衡无定形态的随机键合流程，还为研究玻璃态能景提供了新途径。
摘要：
通过随机键合一团致密液态单体制备无定形固态是一种常用工艺，可用于制备环氧树脂、胶体凝胶、vitrimers（类玻璃高分子）等多种材料。然而，所得固体的性质从根本上强烈依赖于制备历史。这会导致材料发生显著的老化，即力学模量、输运系数等性质取决于固化后经过的时间，进而可能导致技术应用中的材料缓慢降解。因此，明确随机单体键合在何种条件下能生成稳定固态（即性质不随时间变化的长寿命亚稳态）至关重要。本工作对该问题开展了理论与计算分析，提出了一种可保证所得无定形态充分平衡的随机键合流程。该流程还通过生成简单粒子模型的平移不变超稳玻璃态，为研究玻璃态能量 landscape（能景）的基本性质提供了新途径。
英文摘要：
Creating amorphous solid states by randomly bonding an ensemble of dense liquid monomers is a common procedure which is applied to create a variety of materials such as epoxy resins, colloidal gels, and vitrimers. The properties of the resulting solid do, however, {\it a priori} strongly depend on the preparation history. This can lead to substantial aging of the material, i.e., properties such as mechanical moduli and transport coefficients depend on the time elapsed since solidification, which can lead to a slow degradation of the material in technological applications. It is therefore important to understand under which conditions random monomer bonding can lead to stable solid states, i.e., long-lived metastable states whose properties do not change over time. In this work, we present a theoretical and computational analysis of this problem, and introduce a random bonding procedure that guarantees the proper equilibration of the resulting amorphous states. Our procedure also provides a new route to investigate the fundamental properties of glassy energy landscapes by producing translationally-invariant ultrastable glassy states of simple particle models.
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