Interaction and multiscale mechanics

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Multiscale modeling of the anisotropic shock response of β-HMX molecular polycrystals

  • Zamiri, Amir R. (Mechanical, Aerospace and Nuclear Engineering Department, Rensselaer Polytechnic Institute) ;
  • De, Suvranu (Mechanical, Aerospace and Nuclear Engineering Department, Rensselaer Polytechnic Institute)
  • Received : 2010.11.11
  • Accepted : 2011.02.18
  • Published : 2011.06.25
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Abstract

In this paper we develop a fully anisotropic pressure and temperature dependent model to investigate the effect of the microstructure on the shock response of ${\beta}$-HMX molecular single and polycrystals. This micromechanics-based model can account for crystal orientation as well as crystallographic twinning and slip during deformation and has been calibrated using existing gas gun data. We observe that due to the high degree of anisotropy of these polycrystals, certain orientations are more favorable for plastic deformation - and therefore defect and dislocation generation - than others. Loading along these directions results in highly localized deformation and temperature fields. This observation confirms that most of the temperature rise during high rates of loading is due to plastic deformation or dislocation pile up at microscale and not due to volumetric changes.

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References

  1. Abaqus (2009), ABAQUS Manual, Version 6.9, Simulia, Providence, RI.
  2. Baer, M.R. and Hall, C.A. (2007), "Isentropic loading experiments of a plastic bonded explosive and constituents", J. Appl. Phys., 101, 034906-034906-12. https://doi.org/10.1063/1.2399881
  3. Barton, N.R., Winter, N.W. and Reaugh, J.E. (2009), "Defect evolution and pore collapse in crystalline energetic materials", Modell. Simul. Mater. Sci. Eng., 17, 035003. https://doi.org/10.1088/0965-0393/17/3/035003
  4. Becker, R. (2004), "Effects of crystal plasticity on materials loaded at high pressures and strain rates", Int. J. Plasticity, 20, 1983-2006. https://doi.org/10.1016/j.ijplas.2003.09.002
  5. Bourne, N.K. and Milne, A.M. (2003), "On cavity collapse and subsequent ignition", Proc. 12th Int. Detonation Symp.(San Diego, CA), ed J.M. Short and D.G. Tasker, 213.
  6. Bowden, F.P. and Yoffe, A.D. (1952), Initiation and growth of explosions in liquids and solids, Cambridge, Cambridge University Press.
  7. Dick, J.J., Hooks, D.E., Menikoff, R. and Martinez, A.R. (2004), "Elastic-plastic wave profiles in cyclotetramethylene tetranitramine crystals ", J. Appl. Phys., 96(1), 374-379. https://doi.org/10.1063/1.1757026
  8. Hooks, D.E. and Ramos, K.J. (2006), "Initiation mechanisms in single crystal explosives: dislocations, elastic limits, and initiation thresholds", Proc. 13th Int. Detonation Symp., Norfolk, VA.
  9. Kaczmarek, J. (2010), "Collection of dynamical systems with dimensional reduction as a multiscale method of modelling for mechanics of materials", Interact. Multiscale Mech., 3(1), 1-22. https://doi.org/10.12989/imm.2010.3.1.001
  10. Macri, M. and De, S. (2006), "Modeling the bulk mechanical response of heterogeneous explosives based on microstructural information", 13th International Detonation Symposium, Norfolk, VA.
  11. Mang, H.A., Aigner, E., Eberhardsteiner, J., Hackspiel, C., Hellmich, C., Hofstetter, K., Lackner, R., Pichler, B., Scheiner, S. and Stürzenbecher, R. (2009), "Computational multiscale analysis in civil engineering", Interact. Multiscale Mech., 2(2), 109-128. https://doi.org/10.12989/imm.2009.2.2.109
  12. Matou, K. and Maniatty, A.M. (2009), "Multiscale modeling of elasto-viscoplastic polycrystals subjected to finite deformations", Interact. Multiscale Mech., 2(4), 375-396. https://doi.org/10.12989/imm.2009.2.4.375
  13. Menikoff, R. and Sewell, T.D. (2002), "Constituent properties of HMX needed for meso-scale simulations", Combust. Theor. Model., 6, 103-125. https://doi.org/10.1088/1364-7830/6/1/306
  14. Palmer, S.J.P. and Field, J.E. (1982), "The deformation and fracture of $\beta$-HMX", Proc. Roy. Soc. Lond. A, 383, 399-407. https://doi.org/10.1098/rspa.1982.0137
  15. Rae, P.J., Hooks, D.E. and Liu, C. (2006), "The stress versus strain response of single $\beta$-HMX crystals in quasistatic compression", Proceedings of the 13th International Detonation Sysmposium, Norfolk, VA.
  16. Sewell, T.D. and Menikoff, R. (2003), "A molecular dynamics simulation study of elastic properties of HMX", J. Chem. Phys., 19, 7417-7426.
  17. Taylor, G.I. (1983), "Plastic strain in metals", J. Inst. Met., 62, 307-324.
  18. Walley, S.M., Field, J.E. and Greenaway, M.W. (2006), "Crystal sensitivities of energetic materials", Mater. Sci. Technol., 22, 402-413. https://doi.org/10.1179/174328406X91122
  19. Wang, D. and Fang, L. (2010), "A multiscale method for analysis of heterogeneous thin slabs with irreducible three dimensional microstructures", Interact. Multiscale Mech., 3(3), 213-234. https://doi.org/10.12989/imm.2010.3.3.213
  20. Yoo, C.S. and Cynn, H. (1999), "Equation of state, phase transition, decomposition of $\beta$- HMX", J. Chem. Phys., 111, 10229-10235. https://doi.org/10.1063/1.480341
  21. Zamiri, A.R., Pourboghrat, F. (2010), "A novel yield function for single crystals based on combined constraints optimization", Int. J. Plasticity, 26, 731-746. https://doi.org/10.1016/j.ijplas.2009.10.004
  22. Zamiri, A.R. and De, S. (2010), "Deformation distribution map of $\beta$ - HMX molecular crystals", J. Phys. D: Appl. Phys., 43, 035404. https://doi.org/10.1088/0022-3727/43/3/035404
  23. Zhang, X., Chen, J.S. and Osher, S. (2008), "A multiple level set method for modeling grain boundary evolution of polycrystalline materials", Interact. Multiscale Mech., 1(2), 178-191.

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