Center for Interdisciplinary Mathematics
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On Multiscale material modeling

  1. J. Z. Yang, X. Wu and X. Li, Accurate Evaluations of Strain and Stress in Atomistic Simulations of Crystalline Solids, submitted.
  2. X. Li, Coarse-graining molecular dynamics models using an extended Galerkin projection, submitted.
  3. X. Li and P. Ming, On the effect of ghost force in the quasicontinuum method: dynamic problems in one dimension, submitted.
  4. X. Li, Boundary condition for molecular dynamics models of solids: A variational formulation based on lattice Green's functions, submitted.
  5. X. Li, A Bifurcation Study of Crack Initiation and Kinking, The European Physical Journal B, 86, 258 (2013).
  6. J. Z. Yang, X. Wu and X. Li, A generalized Irving-Kirkwood formula for the calculation of stress in molecular dynamics models, Journal of Chemical Physics, 137, 134104 (2012).
  7. X. Li, An atomistic-based boundary element method for the reduction of the molecular Statics Models. Computer Methods in Applied Mechanics and Engineering., 225, 1-13 (2012).
  8. X. Li, A coarse-grained molecular dynamics model for crystalline solids, Int. J. Num. Meth. Eng., 83, 986--997 (2010).
  9. X. Li, J.Z. Yang, and W. E, A multiscale coupling method for the modeling of dynamics of solids with application to brittle cracks, J. Comp. Phys., 229, 3970-3987 (2010).
  10. X. Li, Efficient boundary condition for molecular statics models of solids. Phys. Rev. B , 80, 104112 (2009).
  11. X. Li, On the stability of boundary conditions for molecular dynamics. Journal of Computational and Applied Mathematics, 231, 493-505 (2009).