Quasi-static response and texture evolution of α- and γ-RDX: a comparative study

In this paper, we undertake a comparative study of the stress-strain response and slip activity of alpha- and gamma-polymorph of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) under pressure loading using a rate-dependent single-crystal plasticity model. Texture evolution studies are performed to further understand the effects of the dominant slip systems. The simulations indicate that the difference in elastic moduli and lattice parameters for alpha- and gamma-RDX lead to different elastic-plastic constitutive response in the two polymorphs. gamma-RDX exhibits more plastic slip compared to alpha-RDX for loading on (1 1 1) plane and the two polymorphs have different sets of dominant slip systems. We observe that the high-pressure slip system (0 0 1)[ 0 1 0] that is determined using molecular dynamics simulations is the most dominant slip system for this orientation. Whereas, for loading on (2 1 0) plane, alpha-RDX has marginally higher plastic slip than gamma-RDX, though the same slip system is dominant for both the polymorphs. The texture evolution for loading on (1 1 1) and (2 1 0) planes follow the path towards the most dominant slip systems for both the polymorphs. We predict that the larger plastic slip in gamma-RDX for loading on (1 1 1) plane might play an important role in understanding the reduced sensitivity for shock loading on (1 1 1) plane, when compared to (2 1 0) for which gamma-RDX has lesser plastic slip, and (1 0 0) which is purely elastic.