Project Title:

Temperature-Dependent Energy Transfer Recombination on Surfaces

02.05-1050B
Temperature-Dependent Energy Transfer Recombination on Surfaces
Chemical Dynamics Corporation
9560 Pennsylvania Avenue
Upper Marlboro
MD
20772
Pazhayannur K.
Swaminathan
(301-599-1050)
JSC

Abstract:

Gas-surface interactions and recombination reactions, the key elementary processes
responsible for surface heating in hypersonic flows, will be computationally explored.
The innovative technology draws from the embedded atom and diatomic molecule methods,
the quasi-classical trajectory method, molecular dynamics simulations, and stochastic
heat-path modelling based on generalized Langevin equations.
Phase I will establish the basic technical feasibility of providing information for
one chosen system on the partitioning of energy accommodation from various sources:
translational, internal, and chemically released energy. This will be done while
modelling the effect of the received energy within the condensed phase which is known
to go beyond simple heating. Phase II will significantly enhance the body of knowledge
on various selected materials and processes and lead to a distilled physical picture
of the microscopic aspects of the surface heating problem that will be fundamentally
based.

Potential Commercial Application:

Potential Commercial Applications:  Applications lie in many areas of chemical industry
(catalysis), the aerospace industry (NASP, AOTV, hypersonic reentry, etc.), and in
military technology.