skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: A dislocation density-based continuum model of the anisotropic shock response of single crystal α-cyclotrimethylene trinitramine

Abstract

Here, we have developed a model for the finite deformation thermomechanical response of α-cyclotrimethylene trinitramine (RDX). Our model accounts for nonlinear thermoelastic lattice deformation through a free energy-based equation of state developed by Cawkwell et al. (2016) in combination with temperature and pressure dependent elastic constants, as well as dislocation-mediated plastic slip on a set of slip systems motivated by experimental observation. The kinetics of crystal plasticity are modeled using the Orowan equation relating slip rate to dislocation density and the dislocation velocity developed by Austin and McDowell (2011), which naturally accounts for transition from thermally activated to dislocation drag limited regimes. Evolution of dislocation density is specified in terms of local ordinary differential equations reflecting dislocation–dislocation interactions. This paper presents details of the theory and parameterization of the model, followed by discussion of simulations of flyer plate impact experiments. Impact conditions explored within this combined simulation and experimental effort span shock pressures ranging from 1 to 3 GPa for four crystallographic orientations and multiple specimen thicknesses. Simulation results generated using this model are shown to be in strong agreement with velocimetry measurements from the corresponding plate impact experiments. Finally, simulation results are used to motivate conclusions about the naturemore » of dislocation-mediated plasticity in RDX.« less

Authors:
 [1];  [1];  [1];  [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Laboratory Directed Research and Development (LDRD) Program
OSTI Identifier:
1329599
Alternate Identifier(s):
OSTI ID: 1359373
Report Number(s):
LA-UR-16-24506
Journal ID: ISSN 0022-5096
Grant/Contract Number:  
AC52-06NA25396; ER20140643
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of the Mechanics and Physics of Solids
Additional Journal Information:
Journal Volume: 98; Journal Issue: C; Journal ID: ISSN 0022-5096
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal plasticity dislocations RDX shock loading

Citation Formats

Luscher, Darby Jon, Addessio, Francis L., Cawkwell, Marc Jon, and Ramos, Kyle James. A dislocation density-based continuum model of the anisotropic shock response of single crystal α-cyclotrimethylene trinitramine. United States: N. p., 2017. Web. doi:10.1016/j.jmps.2016.09.005.
Luscher, Darby Jon, Addessio, Francis L., Cawkwell, Marc Jon, & Ramos, Kyle James. A dislocation density-based continuum model of the anisotropic shock response of single crystal α-cyclotrimethylene trinitramine. United States. https://doi.org/10.1016/j.jmps.2016.09.005
Luscher, Darby Jon, Addessio, Francis L., Cawkwell, Marc Jon, and Ramos, Kyle James. 2017. "A dislocation density-based continuum model of the anisotropic shock response of single crystal α-cyclotrimethylene trinitramine". United States. https://doi.org/10.1016/j.jmps.2016.09.005. https://www.osti.gov/servlets/purl/1329599.
@article{osti_1329599,
title = {A dislocation density-based continuum model of the anisotropic shock response of single crystal α-cyclotrimethylene trinitramine},
author = {Luscher, Darby Jon and Addessio, Francis L. and Cawkwell, Marc Jon and Ramos, Kyle James},
abstractNote = {Here, we have developed a model for the finite deformation thermomechanical response of α-cyclotrimethylene trinitramine (RDX). Our model accounts for nonlinear thermoelastic lattice deformation through a free energy-based equation of state developed by Cawkwell et al. (2016) in combination with temperature and pressure dependent elastic constants, as well as dislocation-mediated plastic slip on a set of slip systems motivated by experimental observation. The kinetics of crystal plasticity are modeled using the Orowan equation relating slip rate to dislocation density and the dislocation velocity developed by Austin and McDowell (2011), which naturally accounts for transition from thermally activated to dislocation drag limited regimes. Evolution of dislocation density is specified in terms of local ordinary differential equations reflecting dislocation–dislocation interactions. This paper presents details of the theory and parameterization of the model, followed by discussion of simulations of flyer plate impact experiments. Impact conditions explored within this combined simulation and experimental effort span shock pressures ranging from 1 to 3 GPa for four crystallographic orientations and multiple specimen thicknesses. Simulation results generated using this model are shown to be in strong agreement with velocimetry measurements from the corresponding plate impact experiments. Finally, simulation results are used to motivate conclusions about the nature of dislocation-mediated plasticity in RDX.},
doi = {10.1016/j.jmps.2016.09.005},
url = {https://www.osti.gov/biblio/1329599}, journal = {Journal of the Mechanics and Physics of Solids},
issn = {0022-5096},
number = C,
volume = 98,
place = {United States},
year = {Sun Jan 01 00:00:00 EST 2017},
month = {Sun Jan 01 00:00:00 EST 2017}
}

Journal Article:

Citation Metrics:
Cited by: 79 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

A dislocation density-based crystal plasticity constitutive model for prismatic slip in α-titanium
journal, October 2011


Evaluating the effects of loading parameters on single-crystal slip in tantalum using molecular mechanics
journal, September 2013


XXV. The direct observation of dislocation nets in rock salt single crystals
journal, March 1956


Crystal Plasticity
journal, December 1983


Modeling pore collapse and chemical reactions in shock-loaded HMX crystals
journal, May 2014


Direct numerical simulation of shear localization and decomposition reactions in shock-loaded HMX crystal
journal, May 2015


A dislocation-based constitutive model for viscoplastic deformation of fcc metals at very high strain rates
journal, January 2011


Defect evolution and pore collapse in crystalline energetic materials
journal, February 2009


The elastic tensor of single crystal RDX determined by Brillouin spectroscopy
journal, November 2014


Hot spots and the initiation of explosion
journal, January 1948


Equations of state for the α and γ polymorphs of cyclotrimethylene trinitramine
journal, May 2016


Homogeneous dislocation nucleation in cyclotrimethylene trinitramine under shock loading
journal, March 2010


The crystal structure of cyclotrimethylenetrinitramine
journal, September 1972


Dynamic plasticity and fracture in high density polycrystals: constitutive modeling and numerical simulation
journal, February 2005


A fully anisotropic single crystal model for high strain rate loading conditions with an application to α-RDX
journal, March 2014


Physical analyses of crystal plasticity by DD simulations
journal, March 2006


Phase Diagram of Hexahydro-1,3,5-trinitro-1,3,5-triazine Crystals at High Pressures and Temperatures
journal, August 2010


Plasticity/interfacial energy influences on combustion-driven cracking of RDX energetic crystals
journal, October 1998


X-ray reflection topographic study of growth defect and microindentation strain fields in an RDX explosive crystal
journal, April 1989


X-ray orientation and hardness experiments on RDX explosive crystals
journal, February 1984


Dislocations in energetic materials: Part 3 Etching and microhardness studies of pentaerythritol tetranitrate and cyclotrimethylenetrinitramine
journal, May 1984


Elasticity of Crystalline Molecular Explosives
journal, April 2015


Elastic-plastic shock wave profiles in oriented single crystals of cyclotrimethylene trinitramine (RDX) at 2.25GPa
journal, July 2006


Crystallographic texture evolution in bulk deformation processing of FCC metals
journal, January 1992


Modeling dislocation storage rates and mean free paths in face-centered cubic crystals
journal, December 2008


A dislocation density-based single crystal constitutive equation
journal, July 2010


Plane wave simulation of elastic-viscoplastic single crystals
journal, September 2014


A model for finite-deformation nonlinear thermomechanical response of single crystal copper under shock conditions
journal, September 2013


Coupling continuum dislocation transport with crystal plasticity for application to shock loading conditions
journal, January 2016


On modeling the development of crystallographic texture in bulk forming processes
journal, January 1989


Numerical implementation of a crystal plasticity model with dislocation transport for high strain rate applications
journal, April 2016


An x-ray topographic study of defect structures in cyclotrimethylene trinitramine
journal, December 1971


Work hardening model based on multiple dislocation densities
journal, July 2005


Defect and surface asperity dependent yield during contact loading of an organic molecular single crystal
journal, March 2011


Anomalous hardening under shock compression in (021)-oriented cyclotrimethylene trinitramine single crystals
journal, September 2010


In situ investigation of the dynamic response of energetic materials using IMPULSE at the Advanced Photon Source
journal, May 2014


A continuum framework for finite viscoplasticity
journal, August 2001


Propagation of steady shock waves in polymethyl methacrylate
journal, August 1970


The dynamic mechanical behavior of polymethyl methacrylate
journal, April 1974


Nanofractography of shocked RDX explosive crystals with atomic force microscopy
journal, January 2001


The mechanical response of TNT and a composite, composition b, of TNT and RDX to compressive stress: I uniaxial stress and fracture
journal, March 1991


Ultrafast Chemistry under Nonequilibrium Conditions and the Shock to Deflagration Transition at the Nanoscale
journal, September 2015


Works referencing / citing this record:

Shock temperature dependent rate law for plastic bonded explosives
journal, April 2018


The effect of crystal anisotropy and plastic response on the dynamic fracture of energetic materials
journal, October 2019


Effect of initial damage variability on hot-spot nucleation in energetic materials
journal, July 2018


Implementation of a dislocation-density based single-crystal model into a continuum shock hydrodynamics code
conference, January 2018

  • Luscher, Darby J.; Kenamond, Mark A.; Hunter, Abigail
  • SHOCK COMPRESSION OF CONDENSED MATTER - 2017: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings
  • https://doi.org/10.1063/1.5045039

Computational analysis of mesoscale thermomechanical ignition behavior of impacted LLM-105 based explosives
journal, January 2019


Dislocation energy and line tension in molecular crystal cyclotetramethylene tetranitramine (β-HMX)
journal, February 2020


Theoretical investigations into effects of adulteration crystal defect on properties of HMX by molecular dynamics method
journal, January 2019


Bayesian calibration of strength parameters using hydrocode simulations of symmetric impact shock experiments of Al-5083
journal, November 2018