Experimental study of anisotropic constitutive behavior of β-HMX crystals via nanoindentation and small-scale dynamic impact

For energetic crystals such as HMX, the sensitivity of the material to shock, the possibility of initiation, and the subsequent reaction is known to be controlled by processes occurring at the crystal level. The anisotropic nature of β-HMX can be critical in determining the performance of HMX based polymer bonded explosives, which are widely used across multiple industries as propellant or explosives. In this work, we experimentally obtain constitutive parameters for characterizing the response of multiple crystalline planes of β-HMX crystals to external loading. Nanoindentation and small-scale dynamic impact experiments were performed on multiple planes of β-HMX crystals to comparatively measure the indentation moduli in multiple orientation directions. Anisotropic material behavior, involving constitutive elastic and non-elastic parameters, was measured and studied. Findings regarding material properties for the (100), (010), (001), {110}, and {011} planes of β-HMX are presented and compared with literature data.

Molecular Dynamics Simulations for Effects of Fluoropolymer Binder Content in CL-20/TNT Based Polymer-Bonded Explosives

In order to better understand the role of binder content, molecular dynamics (MD) simulations were performed to study the interfacial interactions, sensitivity and mechanical properties of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane/2,4,6-trinitrotoluene (CL-20/TNT) based polymer-bonded explosives (PBXs) with fluorine rubber F2311. The binding energy between CL-20/TNT co-crystal (1 0 0) surface and F2311, pair correlation function, the maximum bond length of the N–NO2 trigger bond, and the mechanical properties of the PBXs were reported. From the calculated binding energy, it was found that binding energy increases with increasing F2311 content. Additionally, according to the results of pair correlation function, it turns out that H–O hydrogen bonds and H–F hydrogen bonds exist between F2311 molecules and the molecules in CL-20/TNT. The length of trigger bond in CL-20/TNT were adopted as theoretical criterion of sensitivity. The maximum bond length of the N–NO2 trigger bond decreased very significantly when the F2311 content increased from 0 to 9.2%. This indicated increasing F2311 content can reduce sensitivity and improve thermal stability. However, the maximum bond length of the N–NO2 trigger bond remained essentially unchanged when the F2311 content was further increased. Additionally, the calculated mechanical data indicated that with the increase in F2311 content, the rigidity of CL-20/TNT based PBXs was decrease, the toughness was improved.

Computational Investigation of Crack-Induced Hot-Spot Generation in Energetic Composites

The sensitivity of polymer-bonded explosives (PBXs) can be tuned through adjusting binder material and its volume fraction, crystal composition and morphology. To obtain a better understanding of the correlation between grain-level failure and hot-spot generation in this kind of energetic composites as they undergo mechanical and thermal processes subsequent to impact, a recently developed interfacial cohesive zone model (ICZM) was used to study the dynamic response of polymer-bonded explosives. The ICZM can capture the contributions of deformation and fracture of the binder phase as well as interfacial debonding and subsequent friction on hot-spot generation. In this study, a two-dimensional (2D) finite element (FE) computational model of energetic composite was developed. The proposed computational model has been applied to simulate hot-spot generation in polymer-bonded explosives with different grain volume fraction under dynamic loading. Our simulation showed that the increase of binder phase material volume fraction will decrease the local heat generation, resulting in a lower temperature in the specimen.