Quadrature and implementation of the weak coupling method

K. Fackeldey; D. Krause; R. Krause

Quadrature and implementation of the weak coupling method

K. Fackeldey, D. Krause, R. Krause

Applied Mathematics and Computational Science

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

3 Scopus citations

Abstract

We discuss a new method for coupling molecular dynamics and continuum mechanics, which is based on a function space oriented approach. For this purpose, the micro scale displacements originating from molecular dynamics in the Euclidean space are extended into a Sobolev space using a partition of unity. Then, a scale decomposition is realized in L² by means of an orthogonal projection, giving rise to our new weak scale transfer operator in function space. Here, we consider the assembling process of the algebraic representation of this weak coupling operator and show that the assembling can be done in (quasi-)optimal complexity.

Original language	English (US)
Title of host publication	Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008
Editors	Anter El-Azab
Publisher	Department of Scientific Computing, Florida State University
Pages	62-65
Number of pages	4
ISBN (Electronic)	9780615247816
State	Published - 2008
Event	4th International Conference on Multiscale Materials Modeling, MMM 2008 - Tallahassee, United States Duration: Oct 27 2008 → Oct 31 2008

Publication series

Name	Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008

Conference

Conference	4th International Conference on Multiscale Materials Modeling, MMM 2008
Country/Territory	United States
City	Tallahassee
Period	10/27/08 → 10/31/08

Bibliographical note

Publisher Copyright:
© MMM 2008. All rights reserved.

ASJC Scopus subject areas

General Materials Science

Cite this

Fackeldey, K., Krause, D., & Krause, R. (2008). Quadrature and implementation of the weak coupling method. In A. El-Azab (Ed.), Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008 (pp. 62-65). (Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008). Department of Scientific Computing, Florida State University.

Fackeldey, K. ; Krause, D. ; Krause, R. / Quadrature and implementation of the weak coupling method. Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008. editor / Anter El-Azab. Department of Scientific Computing, Florida State University, 2008. pp. 62-65 (Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008).

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title = "Quadrature and implementation of the weak coupling method",

abstract = "We discuss a new method for coupling molecular dynamics and continuum mechanics, which is based on a function space oriented approach. For this purpose, the micro scale displacements originating from molecular dynamics in the Euclidean space are extended into a Sobolev space using a partition of unity. Then, a scale decomposition is realized in L2 by means of an orthogonal projection, giving rise to our new weak scale transfer operator in function space. Here, we consider the assembling process of the algebraic representation of this weak coupling operator and show that the assembling can be done in (quasi-)optimal complexity.",

author = "K. Fackeldey and D. Krause and R. Krause",

year = "2008",

language = "English (US)",

series = "Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008",

publisher = "Department of Scientific Computing, Florida State University",

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Fackeldey, K, Krause, D & Krause, R 2008, Quadrature and implementation of the weak coupling method. in A El-Azab (ed.), Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008. Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008, Department of Scientific Computing, Florida State University, pp. 62-65, 4th International Conference on Multiscale Materials Modeling, MMM 2008, Tallahassee, United States, 10/27/08.

Quadrature and implementation of the weak coupling method. / Fackeldey, K.; Krause, D.; Krause, R.
Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008. ed. / Anter El-Azab. Department of Scientific Computing, Florida State University, 2008. p. 62-65 (Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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AB - We discuss a new method for coupling molecular dynamics and continuum mechanics, which is based on a function space oriented approach. For this purpose, the micro scale displacements originating from molecular dynamics in the Euclidean space are extended into a Sobolev space using a partition of unity. Then, a scale decomposition is realized in L2 by means of an orthogonal projection, giving rise to our new weak scale transfer operator in function space. Here, we consider the assembling process of the algebraic representation of this weak coupling operator and show that the assembling can be done in (quasi-)optimal complexity.

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M3 - Conference contribution

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BT - Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008

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Y2 - 27 October 2008 through 31 October 2008

ER -

Quadrature and implementation of the weak coupling method

Abstract

Publication series

Conference

Bibliographical note

ASJC Scopus subject areas

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Cite this