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Anisotropic elastic moduli for crystalline hexahydro-1,3,5-trinitro-1,3,5-triazine from Monte Carlo calculations and molecular dynamic simulations of the unimolecular dissociation of 1,3,3-trinitroazetidine
(2007-07)
Scope and Method of Study: The purpose of this work was two fold. First to determine an efficient means by which to determine the elastic tensor from fluctuation data, specifically, data from Monte Carlo molecular dynamics ...