An Eulerian crystal plasticity framework for modeling large anisotropic deformations in energetic materials under shocks

Sen, Oishik; Duarte, Camilo A.; Rai, Nirmal Kumar; Koslowski, Marisol; Udaykumar, H. S.

doi:10.1063/5.0091911

An Eulerian crystal plasticity framework for modeling large anisotropic deformations in energetic materials under shocks

Journal Article · Tue Nov 08 23:00:00 EST 2022 · Journal of Applied Physics

DOI:https://doi.org/10.1063/5.0091911· OSTI ID:2446666

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Univ. of Iowa, Iowa City, IA (United States)
Purdue Univ., West Lafayette, IN (United States)
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Here, this paper demonstrates a novel Eulerian computational framework for modeling anisotropic elastoplastic deformations of organic crystalline energetic materials (EM) under shocks. While Eulerian formulations are advantageous for handling large deformations, constitutive laws in such formulations have been limited to isotropic elastoplastic models, which may not fully capture the shock response of crystalline EM. The present Eulerian framework for high-strain rates, large deformation material dynamics of EM incorporates anisotropic isochoric elasticity via a hypo-elastic constitutive law and visco-plastic single-crystal models. The calculations are validated against atomistic calculations and experimental data and benchmarked against Lagrangian (finite element) crystal plasticity computations for shock-propagation in a monoclinic organic crystal, octahydro-1,3,5,7-tetranitro-1,3,5,7 tetrazocine (β-HMX). The Cauchy stress components and the resolved shear stresses calculated using the present Eulerian approach are shown to be in good agreement with the Lagrangian computations for different crystal orientations. The Eulerian framework is then used for computations of shock-induced inert void collapse in β-HMX to study the effects of crystal orientations on hotspot formation under different loading intensities. The computations show that the hotspot temperature distributions and the collapse profiles are sensitive to the crystal orientations at lower impact velocities (viz., 500 m/s); when the impact velocity is increased to 1000 m/s, the collapse is predominantly hydrodynamic and the role of anisotropy is modest. The present methodology will be useful to simulate energy localization in shocked porous energetic material microstructures and other situations where large deformations of single and polycrystals govern the thermomechanical response.

View Accepted Manuscript (DOE)

Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE; Army Research Laboratory

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 2446666

Report Number(s):: LA-UR--21-30798

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 18 Vol. 132; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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An Eulerian crystal plasticity framework for modeling large anisotropic deformations in energetic materials under shocks

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