The atomic-scale finite element method

B. Liu, Y. Huang*, H. Jiang, S. Qu, K. C. Hwang

*Corresponding author for this work

Research output: Contribution to journalArticle

233 Citations (Scopus)

Abstract

The multiscale simulation is important to the development of nanotechnology and to the study of materials and systems across multiple length scales. In order to develop an efficient and accurate multiscale computation method within a unified theoretical framework, we propose an order-N atomic-scale finite element method (AFEM). It is as accurate as molecular mechanics simulations, but is much faster than the widely used order-N2 conjugate gradient method. The combination of AFEM and continuum finite element method provides a seamless multiscale computation method suitable for large scale static problems.

Original languageEnglish (US)
Pages (from-to)1849-1864
Number of pages16
JournalComputer Methods in Applied Mechanics and Engineering
Volume193
Issue number17-20
DOIs
StatePublished - May 7 2004

Fingerprint

finite element method
Finite element method
Molecular mechanics
Conjugate gradient method
Nanotechnology
conjugate gradient method
nanotechnology
simulation
continuums

Keywords

  • Atomic scale
  • Finite element method
  • Multiscale computation
  • Order-N

ASJC Scopus subject areas

  • Computational Mechanics
  • Mechanics of Materials
  • Mechanical Engineering
  • Physics and Astronomy(all)
  • Computer Science Applications

Cite this

Liu, B. ; Huang, Y. ; Jiang, H. ; Qu, S. ; Hwang, K. C. / The atomic-scale finite element method. In: Computer Methods in Applied Mechanics and Engineering. 2004 ; Vol. 193, No. 17-20. pp. 1849-1864.
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The atomic-scale finite element method. / Liu, B.; Huang, Y.; Jiang, H.; Qu, S.; Hwang, K. C.

In: Computer Methods in Applied Mechanics and Engineering, Vol. 193, No. 17-20, 07.05.2004, p. 1849-1864.

Research output: Contribution to journalArticle

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