Center for Interdisciplinary Mathematics

Department of Mathematics

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).