9321139 Scott Theoretical studies of low pressure diamond film growth by chemical vapor deposition and combustion methods will be undertaken. The project has two parts. In the first part investigations of individual chemical reactions involving gas phase hydrogen, acetylene and associated radical with the diamond surface will be done. These studies will be done using molecular dynamics and trajectory methods. The reaction rate constants and probabilities will feed into the second part of the project - kinetic Monte Carlo simulation of the film deposition process. These results will be compared to ongoing experimental work. %%% This multidisciplinary project between chemistry and physics aims at developing a better understanding of the growth of diamond films. These films are of great current interest since diamond is the hardest known material and has other unique properties. Interest in these materials has evolved rapidly since an inexpensive method was discovered to produce these materials. The present project will determine the most likely chemical reactions for the gas-phase precursors for diamond deposition and then use these to simulate film growth. Results will be compared to experiments. ***
