Fundamental Energy Transfer Mechanisms in High Temperature Phonon-Mediated Gas-Surface Interactions
Abstract
This work aims to construct a mesoscale computational framework which captures the level ofdetail provided by molecular dynamics simulations of gas-surface interaction in a computationallytractable way through the use of phonon particle dynamics. This research effort will establisha novel computational framework to study and elucidate the key energy-transfer mechanisms involved in gas-surface interactions for high-temperature carbon-based thermal protection systems.The proposed research efforts will provide a comprehensive framework to identify key mechanismsresponsible for energy transfer both at the material surface and in the gas phase.The computational framework is comprised of three major components: the material surface model(phonon Monte Carlo), the gas-phase model (state-resolved direct simulation Monte Carlo), andthe gas-surface state-to-state transition rate model. This framework will enable the assessmentof the most critical gas phase and solid state energy transfer mechanisms responsible for energyexchange at the surface and surface heating of oxygen/carbon ablative systems. Incorporation ofthe transition rate model will provide an extraordinary level of detail for mesoscale gas-surfaceinteraction studies, including state-resolved (vibrational) scattering of molecules from the surface,energy and momentum accommodation at the surface, and physisorption processes. This work willalso explore the extension of this transition rate model to incorporate chemical reaction pathways,such as chemisorption and Eley-Rideal mechanisms, at the gas-surface interface.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- May 02, 2017
- Source ID
- FA95501710127
Entities
People
- Kelly Stephani
Organizations
- Air Force Office of Scientific Research
- United States Air Force
- University of Illinois Urbana–Champaign