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Advances in Materials Science and Engineering
Volume 2017, Article ID 9529602, 12 pages
https://doi.org/10.1155/2017/9529602
Research Article

A Multiscale Simulation Method and Its Application to Determine the Mechanical Behavior of Heterogeneous Geomaterials

State Key Laboratory of Hydraulics and Mountain River Engineering, College of Water Resources and Hydropower, Sichuan University, Chengdu, Sichuan 610065, China

Correspondence should be addressed to Ru Zhang; nc.ude.ucs@urgnahz

Received 4 March 2017; Accepted 9 July 2017; Published 9 August 2017

Academic Editor: Ying Li

Copyright © 2017 Shengwei Li et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Linked References

  1. M. E. Kassner, S. Nemat-Nasser, Z. Suo et al., “New directions in mechanics,” Mechanics of Materials, vol. 37, no. 2-3, pp. 231–259, 2005. View at Publisher · View at Google Scholar · View at Scopus
  2. Z. Bazant and E. P. Chen, “Scaling of Structural Failure,” Applied Mechanics Reviews, vol. 50, pp. 593–627, 1999. View at Google Scholar
  3. Y.-S. Seo, Y. Ichikawa, and K. Kawamura, “Stress-strain response of rock-forming minerals by molecular dynamics simulation,” Materials Science Research, vol. 48, pp. 13–20, 1999. View at Google Scholar
  4. T. J. Ahrens, Mineral Physics and Crystallography: A Handbook of Physical Constants, American Geophysical Union, 1995.
  5. H. Sato, A. Yamagishi, and K. Kawamura, “Molecular simulation for flexibility of a single clay layer,” Journal of Physical Chemistry B, vol. 105, no. 33, pp. 7990–7997, 2001. View at Publisher · View at Google Scholar · View at Scopus
  6. O. L. Manevitch and G. C. Rutledge, “Elastic properties of a single lamella of montmorillonite by molecular dynamics simulation,” The Journal of Physical Chemistry B, vol. 108, pp. 1428–1435, 2004. View at Google Scholar
  7. W. Xu, Q. Zeng, and A. Yu, “Young's modulus of effective clay clusters in polymer nanocomposites,” Polymer (United Kingdom), vol. 53, no. 17, pp. 3735–3740, 2012. View at Publisher · View at Google Scholar · View at Scopus
  8. A. Ayoub, A. Zaoui, and A. Berghout, “High-pressure structural phase transitions and mechanical properties of calcite rock,” Computational Materials Science, vol. 50, no. 3, pp. 852–857, 2011. View at Publisher · View at Google Scholar · View at Scopus
  9. Q. H. Zeng, A. B. Yu, and G. Q. Lu, “Multiscale modeling and simulation of polymer nanocomposites,” Progress in Polymer Science, vol. 33, no. 2, pp. 191–269, 2008. View at Publisher · View at Google Scholar · View at Scopus
  10. Y. Sheng and X.-G. Zeng, “The deformation mechanisms in process of crack propagation for alpha titanium with compounding microdefects,” Advances in Materials Science and Engineering, vol. 2016, Article ID 2156936, 2016. View at Publisher · View at Google Scholar · View at Scopus
  11. F. F. Abraham, J. Q. Broughton, N. Bernstein, and E. Kaxiras, “Spanning the continuum to quantum length scales in a dynamic simulation of brittle fracture,” Europhysics Letters, vol. 44, no. 6, pp. 783–787, 1998. View at Publisher · View at Google Scholar · View at Scopus
  12. E. B. Tadmor, M. Ortiz, and R. Phillips, “Quasicontinuum analysis of defects in solids,” Philosophical Magazine A, vol. 73, no. 6, pp. 1529–1563, 1996. View at Publisher · View at Google Scholar · View at Scopus
  13. R. E. Rudd and J. Q. Broughton, “Coarse-grained molecular dynamics and the atomic limit of finite elements,” Physical Review B, vol. 58, article R5893, 1998. View at Google Scholar
  14. J. M. Guedes and N. Kikuchi, “Preprocessing and postprocessing for materials based on the homogenization method with adaptive finite element methods,” Computer Methods in Applied Mechanics and Engineering, vol. 83, no. 2, pp. 143–198, 1990. View at Publisher · View at Google Scholar · View at MathSciNet · View at Scopus
  15. D. R. Katti, M. I. Matar, K. S. Katti, and P. M. Amarasinghe, “Multiscale modeling of swelling clays: A computational and experimental approach,” KSCE Journal of Civil Engineering, vol. 13, no. 4, pp. 243–255, 2009. View at Publisher · View at Google Scholar · View at Scopus
  16. D. R. Katti and K. S. Katti, “Molecular interactions influence barrier and mechanical properties in swelling clays: A multiscale modeling and experimental investigation,” in Proceedings of the Geo-Frontiers 2011: Advances in Geotechnical Engineering, pp. 4263–4272, Dallas, Tex, USA, March 2011. View at Publisher · View at Google Scholar · View at Scopus
  17. D. R. Katti and V. Shanmugasundaram, “Influence of swelling on the microstructure of expansive clays,” Canadian Geotechnical Journal, vol. 38, no. 1, pp. 175–182, 2001. View at Publisher · View at Google Scholar · View at Scopus
  18. A. Anandarajah and P. M. Amarasinghe, “Microstructural Investigation of Soil Suction and Hysteresis of Fine-Grained Soils,” Journal of Geotechnical and Geoenvironmental Engineering, vol. 138, no. 1, pp. 38–46, 2011. View at Publisher · View at Google Scholar · View at Scopus
  19. G. Scocchi, P. Posocco, A. Danani, S. Pricl, and M. Fermeglia, “To the nanoscale, and beyond!. Multiscale molecular modeling of polymer-clay nanocomposites,” Fluid Phase Equilibria, vol. 261, no. 1-2, pp. 366–374, 2007. View at Publisher · View at Google Scholar · View at Scopus
  20. S. P. Pereira, G. Scocchi, R. Toth et al., “Multiscale modelling of polymer/clay nanocomposites,” Journal of Multiscale Modelling, vol. 03, pp. 151–176, 2011. View at Google Scholar
  21. R. Toth, F. Santese, S. P. Pereira et al., “Size and shape matter! A multiscale molecular simulation approach to polymer nanocomposites,” Journal of Materials Chemistry, vol. 22, no. 12, pp. 5398–5409, 2012. View at Publisher · View at Google Scholar · View at Scopus
  22. Z. Q. Yue, S. Chen, and L. G. Tham, “Finite element modeling of geomaterials using digital image processing,” Computers and Geotechnics, vol. 30, pp. 375–397, 2003. View at Google Scholar
  23. S. Chen, Z. Q. Yue, and L. G. Tham, “Digital image based approach for three-dimensional mechanical analysis of heterogeneous rocks,” Rock Mechanics and Rock Engineering, vol. 40, pp. 145–168, 2007. View at Google Scholar
  24. W. J. Xu, Z. Q. Yue, and R. L. Hu, “Study on the mesostructure and mesomechanical characteristics of the soil-rock mixture using digital image processing based finite element method,” International Journal of Rock Mechanics and Mining Sciences, vol. 45, pp. 749–762, 2008. View at Google Scholar
  25. R. de Borst, “Challenges in computational materials science: Multiple scales, multi-physics and evolving discontinuities,” Computational Materials Science, vol. 43, no. 1, pp. 1–15, 2008. View at Publisher · View at Google Scholar · View at Scopus
  26. S. J. Clark, M. D. Segall, C. J. Pickard et al., “First principles methods using CASTEP,” Zeitschrift fur Kristallographie, vol. 220, no. 5-6, pp. 567–571, 2005. View at Publisher · View at Google Scholar · View at Scopus
  27. P. Hohenberg and W. Kohn, “Inhomogeneous electron gas,” Physical Review, vol. 136, no. 3B, pp. B864–B871, 1964. View at Publisher · View at Google Scholar · View at Scopus
  28. W. Kohn and L. J. Sham, “Self-consistent equations including exchange and correlation effects,” Physical Review, vol. 140, no. 4A, pp. A1133–A1138, 1965. View at Publisher · View at Google Scholar · View at Scopus
  29. J. P. Perdew, K. Burke, and M. Ernzerhof, “Generalized gradient approximation made simple [Phys. Rev. Lett. 77, 3865 (1996)],” Physical Review Letters, vol. 78, no. 7, p. 1396, 1997. View at Publisher · View at Google Scholar
  30. B. G. Pfrommer, M. Côté, S. G. Louie, and M. L. Cohen, “Relaxation of crystals with the quasi-newton method,” Journal of Computational Physics, vol. 131, no. 1, pp. 233–240, 1997. View at Publisher · View at Google Scholar · View at Scopus
  31. H. J. Monkhorst and J. D. Pack, “Special points for Brillouin-zone integrations,” Physical Review. B. Solid State, vol. 13, no. 12, pp. 5188–5192, 1976. View at Publisher · View at Google Scholar · View at MathSciNet · View at Scopus
  32. A. Marmier, Z. A. D. Lethbridge, R. I. Walton, C. W. Smith, S. C. Parker, and K. E. Evans, “ElAM: A computer program for the analysis and representation of anisotropic elastic properties,” Computer Physics Communications, vol. 181, no. 12, pp. 2102–2115, 2010. View at Publisher · View at Google Scholar · View at Scopus