| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Thin Films and Coatings: Properties, Processing and Applications
|
| Presentation Title |
Effects of Environmental Species on Tribological Properties of MoS2: Using Simulations to Interpret Experimental Observations |
| Author(s) |
Scott Bobbitt, John Curry, Tomas Babuska, Michael Chandross |
| On-Site Speaker (Planned) |
Scott Bobbitt |
| Abstract Scope |
Molybdenum disulfide (MoS2) is a lamellar solid used as a solid lubricant in satellites and other aerospace applications. However, exposure to environmental species (oxygen, water) degrades the lubricating properties of MoS2. The precise mechanisms of how these MoS2-water interactions affect its tribological properties remain poorly understood.
We will present our theory for how adsorbed water impacts the tribology of MoS2 lubricants, based on experiments and simulations. We report the coefficient of friction using vacuum-based tribological experiments and describe how different types of molecular simulation (density functional theory, molecular dynamics) augment our interpretation of those experiments. We will discuss the interaction of water and oxygen with common defects in MoS2, including sulfur vacancies, edge defects, grain boundaries, and oxidized sites. Finally, we discuss how water adsorption on MoS2 impacts the tribological performance of the material.
SNL is managed and operated by NTESS under DOE NNSA contract DE-NA0003525 |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Thin Films and Interfaces, Modeling and Simulation |