Molecular structural mechanics approach to carbon nanotubes on graphics processing units |
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| Authors: | Jian-ming Xia De-min Wei |
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| Institution: | 1. Dept. of Civil Engineering, South China University of Technology, Guangzhou, Guangdong 510640, P.R. China;2. Dept. of Civil Engineering, Guangdong Technical College of Water Resource and Electric Engineering, Guangzhou, Guangdong 510635, P.R.China;1. Computer and Automation Research Institute, Hungarian Academy of Sciences (MTA-SZTAKI), Hungary;2. Eutecus Inc., Berkeley, CA, USA;3. Instituto de Microelectrónica de Sevilla, CSIC-University of Seville, Spain;4. Anafocus Inc., Seville, Spain;5. University of Santiago de Compostela, Spain;6. Pázmány Péter Catholic University, Budapest, Hungary;1. Department of Physics and Mathematics, Aoyama Gakuin University, 5-10-1, Fuchinobe, Sagamihara 252-5258, Japan;2. College of Science, Ibaraki University, 2-1-1, Bunkyo, Mito 310-8512, Japan;1. University of Maryland College Park (UMCP), College Park, MD 20742, United States;2. College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China;3. University of Maryland Baltimore County, MD 21250, United States;4. Division of Biology, Office of Science and Engineering, FDA, Silver Spring, MD 20993, United States;5. National Cancer Institute, Rockville, MD 20850, United States;1. Department of Aerospace Engineering, Sharif University of Technology, Tehran, Iran;2. Department of Mechanical Engineering, University of Alberta, Edmonton, AB, Canada;3. Department of Mechanical Engineering, Amirkabir University of Technology, Tehran, Iran;1. Institute of Stochastics, Ulm University, 89069 Ulm, Germany;2. Department of Chemistry, Philipps-Universität Marburg, 35032 Marburg, Germany;3. Institute of Nanotechnology & Karlsruhe Nano Micro Facility, Karlsruhe Institute of Technology, 76344 Eggenstein-Leopoldshafen, Germany;1. Department of Biochemistry and Molecular Biology, Federal University of Ceara, Brazil;2. Proteomics Analysis and Biochemical Center, Catholic University of Brasilia, Brasilia, Brazil;3. S-Inova Biotech, Catholic University Dom Bosco, Campo Grande, MS, Brazil |
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| Abstract: | A molecular structural mechanics approach to carbon nanotubes on graphics processing units (GPUs) is reported. As a powerful parallel and relatively low cost processor, the GPU is used to accelerate the computations of the molecular structural mechanics approach. The data structures, matrix-vector multiplication algorithm, texture reduction algorithm, and ICCG method on the GPU are presented. The computations for Young's moduli of carbon nanotubes by the molecular structural mechanics approach on the GPU show its accuracy. The running times of large degree of freedom (DOF) carbon nanotubes, whose DOF is larger than 100,000, on the GPU are compared against those on the CPU, proving the GPU can accelerate the computations of the molecular structural mechanics approach to carbon nanotubes. |
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