Abstract
In this work, for the simulation study of solidification processes by molecular dynamics method for a large-sized system consisting of 5,000,000 Al atoms, a parallel arithmetic program has been proposed. The parallel architecture used in the simulation is MPI+OpenMP model. It enlarges the scale of the simulation system and improves the calculation efficiency. Most importantly, because of remarkably decreasing of boundary conditions effect, the simulation result would be more closed to the real situation of the system with the increasing number of atoms involved in the simulation. In this paper, we adopt many microstructure analysis methods to verify the validity of the simulation, including pair distribution function, bond-type index analysis, atomic clusters analysis and visualizing analysis. From these results, it is clear that the simulation results are in good agreement with the experimental results.
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Liao, Y., Li, K., Liu, R. (2014). Simulation Study of Solidification Processes for a Large Scale System of Liquid Metal Al . In: Li, K., Xiao, Z., Wang, Y., Du, J., Li, K. (eds) Parallel Computational Fluid Dynamics. ParCFD 2013. Communications in Computer and Information Science, vol 405. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-53962-6_1
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DOI: https://doi.org/10.1007/978-3-642-53962-6_1
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