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Abstract:
This final report describes the efforts to develop computational- chemistry technology aimed at enabling simulation of gas/surface collisions of interest to the US Air Force that have been carried out under contract FA9550-06-1-0165. The report includes advances in three separate, but complementary lines of research that had the overarching goal of performing atomistic simulations of high-energy collisions between gases and surfaces with unprecedented levels of accuracy. These three lines are: (1) Development of specific-reaction- parameters semiempirical Hamiltonians for the study of the dynamics of radical+alkane reactions, (2) Classical-trajectory simulations of hyperthermal collisions between closed-shell Ar atoms and perfluorinated organics, and (3) Investigation of energy exchange in collisions of closedshell gases with alkanethiolate self-assembled monolayers. The principal outcome of this project was the advancement of computational- chemistry techniques that can be used to simulate chemical reactions occurring on and around spacecraft in orbit with accuracy.
| Limitations: |
 APPROVED FOR PUBLIC RELEASE |
| Description: |
Final rept. Mar 2006-Nov 2008 |
| Pages: |
14 |
| Report Date: |
Feb-2009 |
| Contract Number: |
FA9550-06-1-0165 FA95500610165 |
| Report Number: |
A652694 |
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Keywords relating to this report:
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