Computer Simulation of Inert Gas Interstitials in Tungsten.
NAVAL POSTGRADUATE SCHOOL MONTEREY CALIF
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Computer simulation techniques were used to determine equilibrium positions and binding energies of inert gas atoms implanted in a tungsten crystal and to investigate the potential wells around these equilibrium positions in both perfect lattices and relaxed latticed. Stable positions were found for inert gas interstitials near lattice atoms in the third and fourth layers of the crystal. Interstitial positions near atoms in the first and second layers of the crystal appeared to be unstable if they exist at all. As a result of potential well studies, it was concluded that the mechanism associated with equilibrium position formation was a combination of local liquefaction of the lattice structure and interaction of the interstitial with lattice atoms. Author Modified Abstract