An Analysis of the Quasi-Nonlocal Quasicontinuum Approximation of the Embedded Atom Model

Abstract

The quasi-nonlocal quasicontinuum method (QNL) is a consistent hybrid coupling method for atomistic and continuum models. Embedded atom models are empirical many-body potentials that are widely used for FCC metals such as copper and aluminum. In this paper, we consider the QNL method for EAM potentials, and we give a stability and error analysis for a chain with next-nearest neighbor interactions. We identify conditions for the pair potential, electron density function, and embedding function so that the lattice stability of the atomistic and the EAM-QNL models are asymptotically equal.

20 pages, 0 figures, notation improved, accepted for publication in International Journal for Multiscale Computational Engineering

References in corpus (4)

• Accuracy of Quasicontinuum Approximations Near Instabilities
• A Priori and A Posteriori Analysis of the Quasi-Nonlocal Quasicontinuum Method in 1D
• Iterative Methods for the Force-based Quasicontinuum Approximation
• Analysis of the quasi-nonlocal approximation of linear and circular chains in the plane

Cited by in corpus (4)

• Consistent Energy-based Atomistic/Continuum Coupling for Two-body Potentials in Three Dimensions
• A Computational and Theoretical Investigation of the Accuracy of Quasicontinuum Methods
• The role of the patch test in 2D atomistic-to-continuum coupling methods
• Linear Stationary Iterative Methods for the Force-based Quasicontinuum Approximation