Literature DB >> 15910054

The elastic constants and related properties of beta-HMX determined by Brillouin scattering.

Lewis L Stevens1, Craig J Eckhardt.   

Abstract

By scattering from a variety of acoustic phonons, a complete stiffness tensor has been determined for crystalline beta-HMX. The results are compared with recent experimental and theoretical determinations of the elastic constants and bulk modulus. Reasons for disagreement are discussed in terms of experimental limitations and anharmonic effects. The observed ordering of stiffness constants, C(11) (18.4 GPa), C(22) (14.4 GPa), and C(33) (12.4 GPa), is qualitatively associated with physical phenomena including cleavage planes, patterns in crystal growth, and molecular packing. This interpretation is further corroborated by the linear compressibilities plotted in three crystallographic planes. The Voigt-Reuss-Hill bulk and shear moduli were found to be 9.9 and 3.7 GPa, respectively. The elasticity of beta-HMX is also discussed in relation to proposed mechanisms for the initiation of detonation.

Entities:  

Year:  2005        PMID: 15910054     DOI: 10.1063/1.1883627

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


  5 in total

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Journal:  J Mol Model       Date:  2019-09-03       Impact factor: 1.810

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Authors:  Song Ma; Yajin Li; Yang Li; Yunjun Luo
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3.  Mechanical properties of β-HMX.

Authors:  Hugh G Gallagher; John C Miller; David B Sheen; John N Sherwood; Ranko M Vrcelj
Journal:  Chem Cent J       Date:  2015-04-18       Impact factor: 4.215

4.  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

5.  A flexible-molecule force field to model and study hexanitrohexaazaisowurtzitane (CL-20) - polymorphism under extreme conditions.

Authors:  X Bidault; S Chaudhuri
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  5 in total

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