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

DOI10.1016/j.cma.2009.10.015zbMath1227.74121OpenAlexW2165306490MaRDI 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 interactionsCoulomb potentialatomistic modelsquasicontinuum methodquadrature-rule type approximation

Mathematics Subject Classification ID

Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21) Molecular, statistical, and kinetic theories in solid mechanics (74A25)

Related Items

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

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