Development and Application of Simulation Methods to Study Friction and Wear

模拟在化学和材料科学中起着重要的解释和预测作用。拟议的研究计划旨在开发和使用化学模拟方法，以更好地了解材料和分子如何在原子水平上对机械应力做出反应。该研究计划的目标是指导可用于控制摩擦和磨损的材料的合理开发。这项研究将侧重于对材料和分子对施加的机械应力的响应进行建模，提高化学模拟方法的准确性，并开发模型，将通过模拟获得的原子水平的见解与材料的宏观性质联系起来，这些宏观性质对控制现实世界应用中的摩擦和磨损感兴趣。

Simulation plays important explanatory and predictive roles in chemistry and materials science. The proposed research program aims to develop and use chemical simulation methods to better understand how materials and molecules respond to mechanical stresses at the atomic level. The goal of the research program is to guide the rational development of materials that can be used to control friction and wear. The research will focus on modelling the response of materials and molecules to applied mechanical stresses, improving the accuracy of chemical simulation methods, and developing models that connect the atomic-level insights gained through the simulations to macroscopic properties of materials that are of interest in controlling friction and wear in real-world applications.