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- فارسی
Mechanical property evaluation of buckypaper/epoxy composites using molecular dynamics simulations fully implemented on graphical processing units
N. Nouri, S. Ziaei-Rad
Journal of Computational and Theoretical Nanoscience, Vol. 9, No. 12, pp. 2144-2154 (2012)
ABSTRACT
Using molecular dynamic (MD) simulation, the mechanical properties of a buckypaper/epoxy composite were calculated. In order to simulate a large model within a large enough timescale, a general MD code fully implemented on graphical processing units (GPUs) was developed. The code, which enables the simulation of large systems with about five hundreds speed up in simulation time relative to a single CPU core, is capable of running on CUDA enabled GPUs. In this study the buckypaper/epoxy composite consists of single wall carbon nanotubes (CNTs), epoxy resin (EPON-862) and the curing agent diethyltoluenediamine (DETDA). To verify the results obtained from the code, first, several examples were designed and simulated and their results were compared with available data in the literature. The case studies are including interaction between CNTs and epoxy resin,
Keywords:
Buckypaper/epoxy composites, Molecular dynamics, Graphical Processing Units (GPU); Carbon Nanotubes (CNTs); Epoxy resin