Atomic-Scale Tuning of Layered Binary Metal Oxides for High Temperature Moving Assemblies.

摘要

The objective of this research was to understand, at an atomic level, the material properties that influence the thermal, mechanical and tribological behavior of intrinsically layered binary metal oxides at high temperatures. The initial focus was silver tantalate, which is a relatively simple system that could be accurately modeled but also has significant potential as a multi-functional material for high temperature applications. Investigations were performed through a tightly integrated experimental and modeling approach in which atomistic simulations are validated by experimental observations and then fundamental mechanisms underlying the experimental observations are explained by the simulations. The following is a summary of our key accomplishments through this project that brought us from the initial work of developing experimental and simulation capabilities for studying high temperature coating materials to investigating fundamental mechanisms to explain observed friction and wear behavior and finally to using that understanding to extend the research beyond its initial focus on AgTaO3 to other materials and future materials-based coating design.