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Filters: Format: "application/pdf" Collection: "ir_uspace" Subject: "HMX"
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CreatorTitleDescriptionSubjectDate
1 Bedrov, Dmitro; Smith, Grant D.Molecular dynamics simulation study of elastic properties of HMXAtomistic simulations were used to calculate the isothermal elastic properties for b-, a-, and d-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). The room-temperature isotherm for each polymorph was computed in the pressure interval 0≤p≤10.6 GPa and was used to extract the initial isot...HMX; Elastic tensors; Isotropic moduli; Polymorphs; Isothermal compression; Lattice parameters2003
2 Bedrov, Dmitro; Smith, Grant D.Molecular dynamics simulations of HMX crystal polymorphs using a flexible molecule force fieldMolecular dynamics simulations using a recently developed quantum chemistry-based atomistic force field [J. Phys. Chem. B 103 (1999) 3570] were performed in order to obtain unit cell parameters, coefficients of thermal expansion, and heats of sublimation for the three pure crystal polymorphs of octa...HMX; Crystal polymorphs; Force field; Coefficients of thermal expansion; Heat of sublimation; Cell parameters2002
3 Henderson, Thomas C.; McMurtry, Patrick; Smith, Philip J.; Voth, Gregory Alan; Wight, Charles Albert; Pershing, David W.Simulating accidental fires and explosionsThe Center for the Simulation of Accidental Fires and Explosions at the University of Utah focuses on providing state-of-the-art, science-based tools for the numerical simulation of accidental fires and explosions, especially in the context of handling and storing highly flammable materials.Center for the Simulation of Accidental Fires and Explosions; PBX9501; HMX2000
4 Bedrov, Dmitro; Smith, Grant D.Temperature dependent shear viscosity coefficient of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX ): a molecular dynamics simulation studyEquilibrium molecular dynamics methods were used in conjunction with linear response theory and a recently published potential-energy surface [J. Phys. Chem. B 103, 3570 (1999)] to compute the liquid shear viscosity and self-diffusion coefficient of the high explosive HMX (octahydro-1,3,5,7-tetran...Polymer melts; HMX; Shear viscosity coefficient; Plastic-bonded explosives2000
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