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math.NA2013
A study on the quasiconinuum approximations of a one-dimensional fracture model
Xiantao Li, Pingbing Ming
We study three quasicontinuum approximations of a lattice model for crack propagation. The influence of the approximation on the bifurcation patterns is investigated. The estimate…
physics.comp-ph2013
Accurate Evaluations of Strain and Stress in Atomistic Simulations of Crystalline Solids
Jerry Zhijian Yang, Xiaojie Wu, Xiantao Li
In this paper, we study the accuracy of Irving-Kirkwood type of formulas for the approximation of continuum quantities from atomistic simulations. Such formulas are derived by expr…