Extracting the hidden structure of glass from particle vibrations

从无序的非晶原子结构中预测玻璃的刚性行为仍然是材料科学中的一个挑战。该项目旨在根据每个粒子的受约束程度来定义一种创新的结构测量方法，可以通过测量粒子的振动来量化。利用这种新的结构测量方法，该项目希望通过计算机模拟将玻璃的微观结构与其宏观特性联系起来。该项目的预期成果包括一种表征非晶材料的新方法，以及对玻璃性质的更好理解。这将提供显著的好处，例如提高合理设计具有所需性能的非晶材料的能力。

Predicting the rigid behaviour of glass from its disordered, amorphous atomic structure remains a challenge in materials science. This project aims to define an innovative measure of structure based on how constrained each particle is, which can be quantified by measuring the particles’ vibrations. Using this new measure of structure, this project expects to link the microscopic structure of glass to its macroscopic properties via computer simulations. Expected outcomes of this project include a new methodology for characterising amorphous materials and an improved understanding of the nature of glass. This should provide significant benefits, such as an increased ability to rationally design amorphous materials with desired properties.