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Title: Single Crystal Plasticity Model with Deformation Twinning for the High Rate Deformation of β-HMX

Abstract

Deformation twinning is an active deformation mechanism during loading along certain crystallographic directions of β-cyclotetramethylene tetranitramine (β-HMX). In this work, a finite strain thermomechanical model is extended to include twinning as a deformation mechanism in addition to plastic slip. The stress is derived from the free energy expression including a term representing the equation of state. The crystal plasticity framework is used to divide the total strain into inelastic and elastic component, where the elastic part is used in the expression for the free energy. The twin systems are treated as pseudo slip systems and the shear rate on the twin systems is evaluated in terms of the twin resistance and the projection of the stress tensor. The model parameters were calibrated against a set of plate impact experiments performed on β-HMX by Dick et al. The remaining plate impact experiments are used to evaluate the predictive capability of the model. The quality of the model fits and predictions is discussed from a physical and modeling perspective. Particularly, the role of twin modeling on results is highlighted. Finally, the model is used to explore the relationship between the propensity for twinning and crystal orientation.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [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:
1822769
Report Number(s):
LA-UR-19-26875
Journal ID: ISSN 0094-243X; TRN: US2214504
Grant/Contract Number:  
89233218CNA000001
Resource Type:
Accepted Manuscript
Journal Name:
AIP Conference Proceedings
Additional Journal Information:
Journal Volume: 2272; Conference: 21.Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter (SHOCK19), Portland, OR (United States), 16-21 Jun 2019; Journal ID: ISSN 0094-243X
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Zecevic, Milovan, Addessio, Francis L., Cawkwell, Marc Jon, Ramos, Kyle James, and Luscher, Darby Jon. Single Crystal Plasticity Model with Deformation Twinning for the High Rate Deformation of β-HMX. United States: N. p., 2020. Web. doi:10.1063/12.0001018.
Zecevic, Milovan, Addessio, Francis L., Cawkwell, Marc Jon, Ramos, Kyle James, & Luscher, Darby Jon. Single Crystal Plasticity Model with Deformation Twinning for the High Rate Deformation of β-HMX. United States. https://doi.org/10.1063/12.0001018
Zecevic, Milovan, Addessio, Francis L., Cawkwell, Marc Jon, Ramos, Kyle James, and Luscher, Darby Jon. Wed . "Single Crystal Plasticity Model with Deformation Twinning for the High Rate Deformation of β-HMX". United States. https://doi.org/10.1063/12.0001018. https://www.osti.gov/servlets/purl/1822769.
@article{osti_1822769,
title = {Single Crystal Plasticity Model with Deformation Twinning for the High Rate Deformation of β-HMX},
author = {Zecevic, Milovan and Addessio, Francis L. and Cawkwell, Marc Jon and Ramos, Kyle James and Luscher, Darby Jon},
abstractNote = {Deformation twinning is an active deformation mechanism during loading along certain crystallographic directions of β-cyclotetramethylene tetranitramine (β-HMX). In this work, a finite strain thermomechanical model is extended to include twinning as a deformation mechanism in addition to plastic slip. The stress is derived from the free energy expression including a term representing the equation of state. The crystal plasticity framework is used to divide the total strain into inelastic and elastic component, where the elastic part is used in the expression for the free energy. The twin systems are treated as pseudo slip systems and the shear rate on the twin systems is evaluated in terms of the twin resistance and the projection of the stress tensor. The model parameters were calibrated against a set of plate impact experiments performed on β-HMX by Dick et al. The remaining plate impact experiments are used to evaluate the predictive capability of the model. The quality of the model fits and predictions is discussed from a physical and modeling perspective. Particularly, the role of twin modeling on results is highlighted. Finally, the model is used to explore the relationship between the propensity for twinning and crystal orientation.},
doi = {10.1063/12.0001018},
journal = {AIP Conference Proceedings},
number = ,
volume = 2272,
place = {United States},
year = {Wed Nov 04 00:00:00 EST 2020},
month = {Wed Nov 04 00:00:00 EST 2020}
}

Works referenced in this record:

Equation of state, phase transition, decomposition of β-HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) at high pressures
journal, December 1999

  • Yoo, Choong-Shik; Cynn, Hyunchae
  • The Journal of Chemical Physics, Vol. 111, Issue 22
  • DOI: 10.1063/1.480341

The Deformation and Fracture of Formula-HMX
journal, October 1982

  • Palmer, S. J. P.; Field, J. E.
  • Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 383, Issue 1785
  • DOI: 10.1098/rspa.1982.0137

Analysis of wave profiles for single-crystal cyclotetramethylene tetranitramine
journal, January 2005

  • Menikoff, Ralph; Dick, J. J.; Hooks, D. E.
  • Journal of Applied Physics, Vol. 97, Issue 2
  • DOI: 10.1063/1.1828602

Elastic–plastic wave profiles in cyclotetramethylene tetranitramine crystals
journal, July 2004

  • Dick, J. J.; Hooks, D. E.; Menikoff, R.
  • Journal of Applied Physics, Vol. 96, Issue 1
  • DOI: 10.1063/1.1757026

A dislocation density-based continuum model of the anisotropic shock response of single crystal α-cyclotrimethylene trinitramine
journal, January 2017

  • Luscher, D. J.; Addessio, F. L.; Cawkwell, M. J.
  • Journal of the Mechanics and Physics of Solids, Vol. 98
  • DOI: 10.1016/j.jmps.2016.09.005

Mechanical properties of β-HMX
journal, April 2015

  • Gallagher, Hugh G.; Miller, John C.; Sheen, David B.
  • Chemistry Central Journal, Vol. 9, Issue 1
  • DOI: 10.1186/s13065-015-0091-6

Thermal mechanical anisotropic constitutive model and numerical simulations for shocked β-HMX single crystals
journal, November 2012


Incorporation of deformation twinning in crystal plasticity models
journal, February 1998


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

  • Barton, Nathan R.; Winter, Nicholas W.; Reaugh, John E.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 17, Issue 3
  • DOI: 10.1088/0965-0393/17/3/035003

A dislocation-based constitutive law for pure Zr including temperature effects
journal, May 2008


Coupled nonlinear elasticity, plastic slip, twinning, and phase transformation in single crystal titanium for plate impact loading
journal, June 2019

  • Feng, B.; Bronkhorst, C. A.; Addessio, F. L.
  • Journal of the Mechanics and Physics of Solids, Vol. 127
  • DOI: 10.1016/j.jmps.2019.03.019

Pressure‐dependent Elastic Coefficients of β‐HMX from Molecular Simulations
journal, February 2018

  • Mathew, Nithin; Sewell, Tommy
  • Propellants, Explosives, Pyrotechnics, Vol. 43, Issue 3
  • DOI: 10.1002/prep.201700286

A molecular dynamics simulation study of elastic properties of HMX
journal, October 2003

  • Sewell, Thomas D.; Menikoff, Ralph; Bedrov, Dmitry
  • The Journal of Chemical Physics, Vol. 119, Issue 14
  • DOI: 10.1063/1.1599273