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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 (2021):
A Unified and Memory Efficient Framework for Simulating Mechanical Behavior of Carbon Nanotubes. (Publisher's Version)
pp. 413-422, Darmstadt, Elsevier, International Conference on Computational Science (ICCS 2015), Reykjavík, Iceland, 01.-03.06.2015, DOI: 10.26083/tuprints-00019380,
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Item Type: Conference or Workshop Item
Origin: Secondary publication service
Status: Publisher's Version
Title: A Unified and Memory Efficient Framework for Simulating Mechanical Behavior of Carbon Nanotubes
Language: English
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.

Place of Publication: Darmstadt
Publisher: Elsevier
Classification DDC: 000 Allgemeines, Informatik, Informationswissenschaft > 004 Informatik
Divisions: 20 Department of Computer Science > Scientific Computing
Exzellenzinitiative > Graduate Schools > Graduate School of Computational Engineering (CE)
Zentrale Einrichtungen > University IT-Service and Computing Centre (HRZ) > Hochleistungsrechner
Event Title: International Conference on Computational Science (ICCS 2015)
Event Location: Reykjavík, Iceland
Event Dates: 01.-03.06.2015
Date Deposited: 27 Aug 2021 08:19
Last Modified: 27 Aug 2021 08:20
DOI: 10.26083/tuprints-00019380
Corresponding Links:
URN: urn:nbn:de:tuda-tuprints-193809
Additional Information:

Erscheint auch in: Procedia Computer Science, Volume 51, pages 413-422, ISSN: 1877-0509

URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/19380
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