Literature DB >> 16422631

The elastic constants and related properties of the energetic material cyclotrimethylene trinitramine (RDX) determined by Brillouin scattering.

James J Haycraft1, Lewis L Stevens, Craig J Eckhardt.   

Abstract

The acoustic phonons of cyclotrimethylene trinitramine (RDX) have been studied using Brillouin scattering. The analysis of the acoustic-phonon velocities allowed determination of the complete stiffness tensor for this energetic material. The results are compared to other recent experimental and theoretical determinations of the RDX elastic constants, bulk moduli, and shear moduli. The observed ordering of elastic constants, C11>C22>C33, is qualitatively associated with a (001) cleavage plane and molecular packing. This interpretation is further corroborated by the linear compressibilities plotted in three crystallographic planes, and a comparison to recent theoretical and experimental hydrostatic compression studies on RDX. Finally, the elasticity of RDX is compared to a recently published report on the beta polymorph of cyclotetramethylene tetranitramine's elasticity, and is related to several proposed mechanisms for detonation initiation.

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Year:  2006        PMID: 16422631     DOI: 10.1063/1.2141958

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  3 in total

1.  Molecular dynamics study on the correlation between structure and sensitivity for defective RDX crystals and their PBXs.

Authors:  Ji Jun Xiao; Song Yuan Li; Jun Chen; Guang Fu Ji; Wei Zhu; Feng Zhao; Qiang Wu; He Ming Xiao
Journal:  J Mol Model       Date:  2012-10-11       Impact factor: 1.810

2.  Research on structures, mechanical properties, and mechanical responses of TKX-50 and TKX-50 based PBX with molecular dynamics.

Authors:  Song Ma; Yajin Li; Yang Li; Yunjun Luo
Journal:  J Mol Model       Date:  2016-01-26       Impact factor: 1.810

3.  Study of the Elastic Properties of the Energetic Molecular Crystals Using Density Functionals with van der Waals Corrections.

Authors:  Igor A Fedorov; Chuong V Nguyen; Alexander Y Prosekov
Journal:  ACS Omega       Date:  2020-12-23
  3 in total

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