• Crystal structure and morphology of β-HMX in acetone: A molecular dynamics simulation and experimental study

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      https://www.ias.ac.in/article/fulltext/jcsc/129/04/0495-0503

    • Keywords

       

      β-HMX; single crystal; attachment energy model; crystal morphology; impact sensitivity; friction sensitivity.

    • Abstract

       

      Single crystals of β-Cyclotetramethylene tetranitramine (HMX) were prepared by the solvent evaporation method. The structure was then determined using infrared spectroscopy and single crystal X-ray diffraction. The modified attachment energy (AE) model was used to predict the morphologies of β-HMXin vacuum and in acetone. The morphology and sensitivity of HMX before and after recrystallization were characterized. The results of calculation showed that the (011) and (110) surfaces of β-HMX are of great morphologicalimportance. The predicted β-HMX morphology agreed qualitatively with the SEM result. The sensitivity results show that recrystallization in acetone can effectively reduce the impact and friction sensitivities of β-HMX.

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  • Journal of Chemical Sciences | News

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