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Atomic simulation was applied to investigate the interface interactions and mechanical properties of β-octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine (HMX)-based polymer-bonded explosive (PBX) with Estane 5703. The interface structure of HMX (100) crystal surface with Estane 5703 was analyzed using pair correlation function (PCF), and the interfacial binding energies between them were calculated...
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