316
Views
6
CrossRef citations to date
0
Altmetric
Original Articles

Modeling of fracture behavior in polymer composites using concurrent multi-scale coupling approach

, &
Pages 1342-1350 | Received 06 May 2016, Accepted 18 Aug 2016, Published online: 21 Dec 2016

References

  • A. Kumar, S. Li, S. Roy, J.A. King, and G.M. Odegard, Fracture properties of nanographene reinforced EPON 862 thermoset polymer system, Compos. Sci. Technol., vol. 114, no. 7, pp. 87–93, 2015.
  • S. Roy and A. Nair, Concurrent multi-scale modeling of nano-particle reinforced polymers using statistical coupling of MD and GIMPM, Proceedings of the 52nd AIAASDM Conference, Denver, CO, April, 2011.
  • R. Miller, E.B. Tadmor, R. Phillips, and M. Ortiz, Quasicontinuum simulation of fracture at the atomic scale, Model. Simul. Mater. Sci. Eng., vol. 6, pp. 607–638, 1998.
  • J. Knap and M. Ortiz, An analysis of the quasicontinuum method, J. Mech. Phys. Solids, vol. 49, pp. 1899–1923, 2001.
  • T. Belytschko and S.P. Xiao, Coupling methods for continuum model with molecular model, Int. J. Multiscale Comput. Eng. vol. 1, no. 1, 2003.
  • E. Saether, V. Yamakov, and E.H. Glaessgen, An embedded statistical method for coupling molecular dynamics and finite element analyses, Int. J. Numer. Methods Eng., vol. 78, no. 11, pp. 1292–1319, 2009.
  • R.E. Jones, J.A. Zimmerman, J. Oswald, and T. Belytschko, An atomistic J-integral at finite temperature based on Hardy estimates of continuum fields, J. Phys., vol. 23, no. 1, 2011.
  • S. Roy and A. Akepati, Multi-scale modeling of fracture properties for nano-particle reinforced polymers using atomistic J-integral, ASME 2014 International Mechanical Engineering Congress and Exposition, Montreal, Canada, November 14, 2014.
  • R. Hardy, Formulas for determining local properties in molecular dynamics simulations: Shock waves, J. Chem. Phys., vol. 76, no. 1, pp. 622–628, 1982.
  • S. Plimpton, Fast parallel algorithms for short-range molecular dynamics, J. Comput. Phys., vol. 117, pp. 1–19, 1995.
  • S. Cheng and C. Sun, Size-dependent fracture toughness of nanoscale structures: Crack-tip stress approach in molecular dynamics, J. Nanomech. Micromech., vol. 4, no. 4, 2014.
  • S. Pfaller, M. Rahimi, G. Possart, P. Steinmann, F. Müller-Plathe, and M.C. Böhm, An Arlequin-based method to couple molecular dynamics and finite element simulations of amorphous polymers and nanocomposites, Comput. Methods Appl. Mech. Eng., vol. 260, pp. 109–129, 2013.
  • D. Sulsky, Z. Chen, and H.L. Schreyer, A particle method for history-dependent materials, Comput. Methods Appl. Mech. Eng., vol. 118, pp. 179–196, 1994.
  • H. Tan and J.A. Nairn, Hierarchical, adaptive, material point method for dynamic energy release rate calculations, Comput. Methods Appl. Mech. Eng., vol. 191, pp. 2095–2109, 2002.
  • J. Ma, H. Lu, B. Wang, S. Roy, R. Hornung, A. Wissink, and R. Komanduri, Multiscale simulations using generalized interpolation material point (MPM) method and SAMRAI parallel processing, Comput. Model. Eng. Sci., vol. 8, no. 2, pp. 135–152, 2005.
  • J. Ma and R. Komanduri, Structured mesh refinement in generalized interpolation material point (MPM) method for simulation of dynamic problems, Comput. Model. Eng. Sci., vol. 12, no. 3, pp. 214–227, 2006.
  • S.G. Bardenhagen and E.M. Kober, The generalized interpolation material point method, Comput. Model. Eng. Sci., vol. 5, pp. 477–495, 2004.
  • Y.P. Lian, X. Zhang, F. Zhang and X.X. Cui, Tied interface grid material point method for problems with localized extreme deformation, Int. J. Imp. Eng., vol. 70, pp. 50–61, 2014.
  • J.H. Irving and J.G. Kirkwood, The statistical mechanical theory of transport processes. IV. The equations of hydrodynamics, J. Chem. Phys., vol. 18, pp. 817–829, 1950.
  • J. Cormier, J. M. Rickman, and T.J. Delph, Stress calculation in atomistic simulations of perfect and imperfect solids, J. Appl. Phys., vol. 89, pp. 99–104, 2001.
  • J.F. Lutsko, Stress and elastic constants in anisotropic solids: Molecular dynamics techniques, J. Appl. Phys., vol. 64, pp. 1152–1154, 1988.
  • A.K. Subramaniyan and C.T. Sun, Continuum interpretation of virial stress in molecular simulations, Int. J. Solids Struct., vol. 45, pp. 4340–4346, 2008.
  • J.A. Nairn and Y. Guo, Material point method calculations with explicit cracks, Model. Eng. Sci., vol. 4, no. 6, pp. 649–664, 2003.
  • A.C.T. Van Duin, S. Dasgupta, F. Lorant, and W.A. Goddard, ReaxFF: A reactive force field for hydrocarbons, J. Phys. Chem. A, vol. 105, no. 41, pp. 9396–9409, 2001.
  • C. Jin, H. Lan, L. Peng, K. Suenaga, and S. Iijima, Deriving carbon atomic chains from graphene, Phys. Rev. Lett., vol. 102, art. 205501, 2009.
  • R. Krueger, Virtual crack closure technique: History, approach, and applications, Appl. Mech. Rev., vol. 57, no. 2, pp. 109–143, 2014.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.