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A Unified and Memory Efficient Framework for Simulating Mechanical Behavior of Carbon Nanotubes

Burger, Michael ; Bischof, Christian ; Schröppel, Christian ; Wackerfuß, Jens (2015)
A Unified and Memory Efficient Framework for Simulating Mechanical Behavior of Carbon Nanotubes.
Proceedings of the International Conference on Computational Science. Reykjavik, Iceland
Konferenzveröffentlichung, Bibliographie

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Kurzbeschreibung (Abstract)

Carbon nanotubes possess many interesting properties, which make them a promising material for a variety of applications. In this paper, we present a unified framework for the simulation of the mechanical behavior of carbon nanotubes. It allows the creation, simulation and visualization of these structures, extending previous work by the research group ”MISMO” at TU Darmstadt. In particular, we develop and integrate a new matrix-free iterative solving procedure, employing the conjugate gradient method, that drastically reduces the memory consumption in comparison to the existing approaches. The increase in operations for the memory saving approach is partially offset by a well scaling shared-memory parallelization. In addition the hotspots in the code have been vectorized. Altogether, the resulting simulation framework enables the simulation of complex carbon nanotubes on commodity multicore desktop computers.

Typ des Eintrags: Konferenzveröffentlichung
Erschienen: 2015
Autor(en): Burger, Michael ; Bischof, Christian ; Schröppel, Christian ; Wackerfuß, Jens
Art des Eintrags: Bibliographie
Titel: A Unified and Memory Efficient Framework for Simulating Mechanical Behavior of Carbon Nanotubes
Sprache: Englisch
Publikationsjahr: 1 Juni 2015
Band einer Reihe: 15
Veranstaltungstitel: Proceedings of the International Conference on Computational Science
Veranstaltungsort: Reykjavik, Iceland
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Kurzbeschreibung (Abstract):

Carbon nanotubes possess many interesting properties, which make them a promising material for a variety of applications. In this paper, we present a unified framework for the simulation of the mechanical behavior of carbon nanotubes. It allows the creation, simulation and visualization of these structures, extending previous work by the research group ”MISMO” at TU Darmstadt. In particular, we develop and integrate a new matrix-free iterative solving procedure, employing the conjugate gradient method, that drastically reduces the memory consumption in comparison to the existing approaches. The increase in operations for the memory saving approach is partially offset by a well scaling shared-memory parallelization. In addition the hotspots in the code have been vectorized. Altogether, the resulting simulation framework enables the simulation of complex carbon nanotubes on commodity multicore desktop computers.

Schlagworte:
Einzelne SchlagworteSprache
parallelization, vectorization, simulation, software engineering, carbon nanotubes, matrix- free solverEnglisch
Fachbereich(e)/-gebiet(e): 20 Fachbereich Informatik
20 Fachbereich Informatik > Scientific Computing
Exzellenzinitiative
Exzellenzinitiative > Graduiertenschulen
Exzellenzinitiative > Graduiertenschulen > Graduate School of Computational Engineering (CE)
Zentrale Einrichtungen
Zentrale Einrichtungen > Hochschulrechenzentrum (HRZ)
Zentrale Einrichtungen > Hochschulrechenzentrum (HRZ) > Hochleistungsrechner
Hinterlegungsdatum: 26 Mär 2015 12:47
Letzte Änderung: 03 Jul 2024 02:22
PPN:
Schlagworte:
Einzelne SchlagworteSprache
parallelization, vectorization, simulation, software engineering, carbon nanotubes, matrix- free solverEnglisch
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