The atomic-scale finite element method

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

doi:10.1016/j.cma.2003.12.037

The atomic-scale finite element method

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

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

268 Scopus citations

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 language	English (US)
Pages (from-to)	1849-1864
Number of pages	16
Journal	Computer Methods in Applied Mechanics and Engineering
Volume	193
Issue number	17-20
DOIs	https://doi.org/10.1016/j.cma.2003.12.037
State	Published - May 7 2004
Externally published	Yes

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

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10.1016/j.cma.2003.12.037

Cite this

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title = "The atomic-scale finite element method",

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.",

keywords = "Atomic scale, Finite element method, Multiscale computation, Order-N",

author = "B. Liu and Y. Huang and H. Jiang and S. Qu and Hwang, {K. C.}",

note = "Funding Information: This research was supported by NSF (grants 00-99909 and 01-03257), ASCI Center for Simulation of Advanced Rockets at the University of Illinois supported by US Department of Energy through the University of California under subcontract B523819, and NSFC. ",

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doi = "10.1016/j.cma.2003.12.037",

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T1 - The atomic-scale finite element method

AU - Liu, B.

AU - Huang, Y.

AU - Jiang, H.

AU - Qu, S.

AU - Hwang, K. C.

N1 - Funding Information: This research was supported by NSF (grants 00-99909 and 01-03257), ASCI Center for Simulation of Advanced Rockets at the University of Illinois supported by US Department of Energy through the University of California under subcontract B523819, and NSFC.

PY - 2004/5/7

Y1 - 2004/5/7

N2 - 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.

AB - 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.

KW - Atomic scale

KW - Finite element method

KW - Multiscale computation

KW - Order-N

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SN - 0374-2830

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The atomic-scale finite element method

Abstract

Keywords

ASJC Scopus subject areas

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