Browsing Chemistry electronic theses and dissertations (MU) by Thesis Advisor "Sewell, Thomas D."
Now showing items 1-4 of 4
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Anisotropic energy transport properties of 1,3,5-Triamino-2,4,6-Trinitrobenzene (TATB)
(University of Missouri--Columbia, 2016)Anisotropic energy transport properties were determined theoretically for crystals of the insensitive explosive 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) using molecular dynamics simulations. Determination of these ... -
Anisotropic shock response of 1,3,5-Triamino-2,4,6-Trinitrobenzene (TATB)
(University of Missouri--Columbia, 2018)All-atom molecular dynamics simulations were used to study shock wave loading in both oriented single crystals and two orientations with the presence of a grain boundary of the highly anisotropic triclinic molecular crystal ... -
Atomic-scale studies of chemical and transport processes relevant to propellant combustion
(University of Missouri--Columbia, 2018)[ACCESS RESTRICTED TO THE UNIVERSITY OF MISSOURI AT AUTHOR'S REQUEST.] Density functional theory (DFT) and correlated molecular orbital electronic structure calculations were used to study the Al + CO2 [subscript arrow] ... -
Molecular dynamics simulations of the shock response of the energetic materials pentaerythritol tetranitrate and hexahydro-1,3,5-trinitro-1,3,5-s-triazine
(University of Missouri--Columbia, 2016)Energetic materials are the key active ingredients in explosive formulations. Understanding the response of energetic materials is vital for the design of safe and reliable explosives. It is a challenge to experimentally ...