Fundamental Understanding of Nanoparticle-Based Lubricants Tuned to Respond to Harsh Boundary Lubrication Conditions

本研究的目的是阐明新型润滑剂的基本行为组成的硫族化物纳米粒子与集成功能的有机分子和没有。 通过使用实验和分子动力学模拟，研究任务旨在探索二硫化钼纳米颗粒的尺寸和化学依赖性，包括晶体二硫化钼中缺陷行为的关键分析以及二硫化钼纳米颗粒与用于功能化的有机分子链之间的整合性质。 模拟将被用来研究在机械剪切或压缩过程中的结晶二硫化钼中的缺陷的成核，运动和相互作用。 将进行实验来评估纳米结构润滑剂的摩擦学性能，特别关注代表关键应用的负载和温度范围内的苛刻边界润滑条件。摩擦是发动机和重型机械（包括采矿设备和风力涡轮机）中结构部件效率低下和失效的主要原因之一。 在这项工作中探索的新型纳米颗粒润滑剂将通过在严重摩擦和磨损条件下提供可预测和扩展的可靠性沿着主要的能源节约来满足美国制造业的主要需求。 这项研究与教育和推广活动相结合，专门针对年轻的研究人员，通过参与REU计划和科学教师与当地学区合作。 在这项研究中发现的纳米级有机和无机结构之间的整合也将有利于其他关键的纳米材料为重点的行业，如生物燃料，生物制造和制药。

The objective of this research is to elucidate the fundamental behavior of novel lubricants composed of chalcogenide nanoparticles with and without integrated functional organic molecules. Via the use of experiments and molecular dynamics simulations, research tasks are designed to explore size- and chemistry-dependent properties of MoS2 nanoparticles, including critical analyses of defect behavior in crystalline MoS2 and the nature of integration between MoS2 nanoparticles and organic molecular chains used for functionalization. Simulations will be used to investigate the nucleation, motion and interaction of defects in crystalline MoS2 during mechanical shearing or compression. Experiments will be performed to evaluate the tribological performance of the nanostructured lubricants, with particular focus on harsh boundary lubrication conditions over load and temperature ranges representative of key applications.Friction is one of the primary reasons for inefficiency and failure of structural components in engines and heavy machinery (including mining equipment and wind turbines). The novel nanoparticle-based lubricants explored in this work will address a major need of US manufacturing industries by providing predictable and extended reliability along with major energy savings in severe friction and wear conditions. This research is integrated with education and outreach activities specifically aimed at young researchers through participation in REU programs and science teachers in collaboration with a local school district. Discoveries made during this research regarding integration between organic and inorganic structures at the nanoscale will also benefit other key nanomaterial-focused industries, such as bio-fuel, bio-manufacturing and pharmaceuticals.