Theory-based benchmarking of the blended force-based quasicontinuum method

Xingjie Helen Li; Mitchell Luskin; Christoph Ortner; Alexander V. Shapeev

doi:10.1016/j.cma.2013.10.007

Theory-based benchmarking of the blended force-based quasicontinuum method

Xingjie Helen Li
, Mitchell Luskin
, Christoph Ortner
, Alexander V. Shapeev

School of Mathematics

Research output: Contribution to journal › Article › peer-review

25 Scopus citations

Abstract

We formulate an atomistic-to-continuum coupling method based on blending atomistic and continuum forces. Our precise choice of blending mechanism is informed by theoretical predictions. We present a range of numerical experiments studying the accuracy of the scheme, focusing in particular on its stability. These experiments confirm and extend the theoretical predictions, and demonstrate a superior accuracy of B-QCF over energy-based blending schemes.

Original language	English (US)
Pages (from-to)	763-781
Number of pages	19
Journal	Computer Methods in Applied Mechanics and Engineering
Volume	268
DOIs	https://doi.org/10.1016/j.cma.2013.10.007
State	Published - Jan 1 2014

Keywords

Atomistic to continuum
Embedded atom model
Error analysis
Quasi-nonlocal
Quasicontinuum

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10.1016/j.cma.2013.10.007

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abstract = "We formulate an atomistic-to-continuum coupling method based on blending atomistic and continuum forces. Our precise choice of blending mechanism is informed by theoretical predictions. We present a range of numerical experiments studying the accuracy of the scheme, focusing in particular on its stability. These experiments confirm and extend the theoretical predictions, and demonstrate a superior accuracy of B-QCF over energy-based blending schemes.",

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AU - Li, Xingjie Helen

AU - Luskin, Mitchell

AU - Ortner, Christoph

AU - Shapeev, Alexander V.

PY - 2014/1/1

Y1 - 2014/1/1

N2 - We formulate an atomistic-to-continuum coupling method based on blending atomistic and continuum forces. Our precise choice of blending mechanism is informed by theoretical predictions. We present a range of numerical experiments studying the accuracy of the scheme, focusing in particular on its stability. These experiments confirm and extend the theoretical predictions, and demonstrate a superior accuracy of B-QCF over energy-based blending schemes.

AB - We formulate an atomistic-to-continuum coupling method based on blending atomistic and continuum forces. Our precise choice of blending mechanism is informed by theoretical predictions. We present a range of numerical experiments studying the accuracy of the scheme, focusing in particular on its stability. These experiments confirm and extend the theoretical predictions, and demonstrate a superior accuracy of B-QCF over energy-based blending schemes.

KW - Atomistic to continuum

KW - Embedded atom model

KW - Error analysis

KW - Quasi-nonlocal

KW - Quasicontinuum

UR - https://www.scopus.com/pages/publications/84888850318

UR - https://www.scopus.com/pages/publications/84888850318#tab=citedBy

U2 - 10.1016/j.cma.2013.10.007

DO - 10.1016/j.cma.2013.10.007

M3 - Article

AN - SCOPUS:84888850318

SN - 0045-7825

VL - 268

SP - 763

EP - 781

JO - Computer Methods in Applied Mechanics and Engineering

JF - Computer Methods in Applied Mechanics and Engineering

ER -

Theory-based benchmarking of the blended force-based quasicontinuum method

Abstract

Keywords

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