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Microstructure Simulation of Al Alloy with a Modified Cellular Automaton Method

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A stochastic model for simulating the microstructure formation of Al–4.5%Cu alloy during solidification has been developed, using the finite element method (FEM) based on macroscopic modelling of heat transfer calculation and a modified Cellular Automaton (mCA) for microscopic modelling of nucleation and growth of each crystal. In this model, the effects of solute redistribution, interface curvature and preferred orientation on the microstructure were considered. A new probabilistic neighborhood configuration was adopted to neglect the influence of continuous nucleation. A numerical simulation was developed using C++ software. The computational approach used in this work simulates the effect of nucleation parameters on the formation of columnar grain, equiaxed grain as well as the transformation process from columnar to equiaxed grain (CET). The effects of degree of undercooling (ΔT v ,max) and the rate of nucleation (n v ) on the microstructure were discussed. The degree of undercooling (ΔT v ,max) determines the columnar, CET and equiaxed solidification. The rate of nucleation (n v ) also has a significant effect on the equiaxed grain size. Low degree of undercooling with large nucleation number leads to a fine and fully equiaxed microstructure. Increased heat transfer coefficient gives fine grains which are more equiaxed. The program which developed by ourselves has the advantage fast and accurate in evaluation of solidification microstructure.
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Keywords: AL ALLOY; CELLULAR AUTOMATON; GRAIN GROWTH; NUCLEATION; STOCHASTIC MODEL

Document Type: Research Article

Publication date: September 1, 2012

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  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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