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![]() | Bedrov, Dmitro; Smith, Grant D. | Molecular dynamics simulation study of elastic properties of HMX | Atomistic 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 parameters | 2003 |