Quadrature-rule type approximations to the quasicontinuum method for long-range interatomic interactions

DOI10.1016/j.cma.2009.10.015zbMath1227.74121MaRDI QIDQ649280

Max D. Gunzburger, Yanzhi Zhang

Publication date: 30 November 2011

Published in: Computer Methods in Applied Mechanics and Engineering (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cma.2009.10.015

zbMATH Keywords

long-range interactions; Coulomb potential; atomistic models; quasicontinuum method; quadrature-rule type approximation

Mathematics Subject Classification ID

82B21: Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics

74A25: Molecular, statistical, and kinetic theories in solid mechanics

Related Items

Higher‐order quasicontinuum methods for elastic and dissipative lattice models: uniaxial deformation and pure bending, A field theoretical approach to the quasi-continuum method, Multiresolution molecular mechanics: convergence and error structure analysis, Accuracy of quasicontinuum approximations near instabilities, Quadrature-rule type approximations to the quasicontinuum method for long-range interatomic interactions, Atom collocation method, Central summation in the quasicontinuum method, Stability, instability, and error of the force-based quasicontinuum approximation, Multiresolution molecular mechanics: a unified and consistent framework for general finite element shape functions, Multiresolution molecular mechanics: statics

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