Molecular design of complex lubricants to reduce friction

我们将研究新一代工业润滑油摩擦改性剂的分子水平设计。其目标是大幅减少运动机械部件之间的摩擦，从而提高机器的能源效率，减少全球温室气体排放。我们将结合统计力学和非平衡分子动力学的理论和计算方法来设计和测试这些新的摩擦调节剂，并直接将结果与实验测量结果进行比较。我们的研究将为开发新的具有成本效益的摩擦改进剂铺平道路，而不需要传统的、昂贵的、基于实验室的试验和错误。

We will investigate the molecular level design of friction modifiers for a new generation of industrial lubricants. The goal is to dramatically reduce friction between moving mechanical parts, hence increasing energy efficiency in machines and reducing global greenhouse gas emissions. We will design and test these new friction modifiers by a combination of theoretical and computational methods based in statistical mechanics and nonequilibrium molecular dynamics and directly compare results with experimental measurements. Our investigations will pave the way to develop new cost-effective friction modifiers without the need for traditional and costly trial and error laboratory based experimentation.