Characterization of Nano-Scale Parallel Lamellar Defects in RDX and HMX Single Crystals by Two-Dimension Small Angle X-ray Scattering

Zhang, Haobin; Xu, Jinjiang; Li, Shichun; Sun, Jie; Wang, Xiaolin

doi:10.3390/molecules27123871

Cited by 2 publications

(1 citation statement)

References 30 publications

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“…The significant expansion along the (011) and (020) directions may influence the interfacial interactions of HMX crystal with the neighboring ones or the polymer binder in PBX. More importantly, microdefects could be generated between the (011) and (020) planes because of the expansion, 43 which is necessary to be taken into account in the practical applications.…”

Section: Crystal Plane Spacing Of the Main Crystal Planes Of β-Hmxmentioning

confidence: 99%

Thermal Expansion, Atomic Vibration, and Molecular Conformation of β-HMX at a Wide Temperature Range Prior to Phase Transformation

Yan,

Wei,

Xiao

et al. 2023

J. Phys. Chem. C

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Crystal structure evolution of high-explosive HMX from −100 to 160 °C was studied by in situ single-crystal X-ray diffraction. Thermal expansion properties and the changes in atomic vibration and molecular conformation were investigated. Anisotropic thermal expansion was observed with a preferred direction along the b-axis. More interplanar defects may be generated between the (011) and (020) facets due to the large increasing rate of their interplanar spacings ((3.23 ± 0.09) × 10 −4 and (6.98 ± 0.05) × 10 −4 Å/°C), which may significantly influence the interfacial interaction between HMX crystals and polymer binders in plastic-bonded explosive. Atomic displacement parameter (ADP) investigation reveals that the farther away from the center ring, the stronger the atomic vibrations. Compared with the linear increase of the unit cell parameters, the increase of ADP is proportional to temperature, following an exponential growth model. Compression of the central ring along one direction and expansion along the opposite direction were also observed. The vibrations and rotations of the nitro groups related to the central ring were further identified and confirmed by Raman spectroscopy, demonstrating the flexibility of the nitro groups. Based on the observations, a mechanism was proposed for the molecular conformation transformation of HMX during the β−δ phase transition. All the results are not only beneficial to a comprehensive understanding of the thermal properties of HMX on the atomic and molecular levels but also provide an important reference for the manufacturing, processing, and storage of HMX and other energetic materials.

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Section: Crystal Plane Spacing Of the Main Crystal Planes Of β-Hmxmentioning

confidence: 99%

Thermal Expansion, Atomic Vibration, and Molecular Conformation of β-HMX at a Wide Temperature Range Prior to Phase Transformation

Yan,

Wei,

Xiao

et al. 2023

J. Phys. Chem. C

Self Cite

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Fabrication of micro/nano spherulitic hierarchical energetic materials via noncrystallographic branching induced by polymer additives: A case study of 2,2′,4,4′,6,6′-hexanitrostilbene (HNS)

Wang

Zhou

et al. 2023

Chemical Engineering Journal

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Characterization of Nano-Scale Parallel Lamellar Defects in RDX and HMX Single Crystals by Two-Dimension Small Angle X-ray Scattering

Cited by 2 publications

References 30 publications

Thermal Expansion, Atomic Vibration, and Molecular Conformation of β-HMX at a Wide Temperature Range Prior to Phase Transformation

Thermal Expansion, Atomic Vibration, and Molecular Conformation of β-HMX at a Wide Temperature Range Prior to Phase Transformation

Fabrication of micro/nano spherulitic hierarchical energetic materials via noncrystallographic branching induced by polymer additives: A case study of 2,2′,4,4′,6,6′-hexanitrostilbene (HNS)

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