Modeling Microstructural Effects on Heterogeneous Temperature Fields within Polycrystalline Explosives

• Published in: Propellants, explosives, pyrotechnics Vol. 46; no. 5; pp. 713 - 722
• Main Authors: Mohan, Nisha, Luscher, Darby J., Cawkwell, Marc J., Addessio, F. L., Ramos, Kyle J.
• Format: Journal Article
• Language: English
• Published: Weinheim Wiley Subscription Services, Inc 01.05.2021; Wiley
• Subjects: Anisotropy; Bonding strength; Boundary conditions; Crystal dislocations; Crystal structure; Crystals; energetic materials; ENGINEERING; Explosives; finite element modeling; Grains; Heterogeneity; impact; mesoscale modeling; Microstructure; Modelling; Single crystals; Temperature distribution; Wave dispersion
• ISSN: 0721-3115; 1521-4087
• DOI: 10.1002/prep.202000282

The paper addresses the role of crystal anisotropy on the evolution of heterogeneous temperature fields in plastic‐bonded explosives (PBXs) under conditions of weak shock. The modeling approach is based on simplified idealizations of PBX microstructure including RDX grains and estane binder regions subjected to velocity boundary conditions representative of impact conditions in situ. The constitutive description of the microstructure constituents includes a dislocation‐based, anisotropic, single crystal plasticity model for the explosive grains and a linear viscoelastic model to represent the estane binder. Large suites of simulations were used to systematically study the correlation in heating of the grains with local wave dynamics, crystal orientation, and the microstructural neighborhood. These correlations were identified through the selection of characteristics of crystal anisotropy including oriented wave speeds and Taylor factor. A key observation is that the wave dispersion within a certain distance from the impact interface plays a dominant role in the temperature field. Beyond this distance, individual crystal orientations play a more dominant role, but cannot entirely account for the observed heterogeneity without consideration of the local microstructure neighborhood.