Subject004 Data processing and computer science Konjugierte-Gradienten-MethodeGemeinsamer SpeicherKohlenstoff-NanoröhreSimulation
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A unified and memory efficient framework for simulating mechanical behavior of carbon nanotubes
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.
CitationIn: Procedia Computer Science Volume 51 (2015-06-01) , S. 413-422 ; EISSN 1877-0509
SponsorshipThe work of M. Burger is supported by the ’Excellence Initiative’ of the German Federal and State Governments and the Graduate School of Computational Engineering at Technische Universität Darmstadt. The work of C. Schröppel and J. Wackerfuß is financially supported by the Deutsche Forschungsgemeinschaft (DFG) via the Emmy Noether Program under Grant No. Wa 2514/3-1.
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