Introducing Solute Drag in Irregular Cellular Automata Modeling of Grain Growth

Koenraad G.F. Janssens; Elizabeth A. Holm; Stephen M. Foiles

doi:10.4028/www.scientific.net/MSF.467-470.1045

Paper Titles

Evolving 3D Microstructures Using a Genetic Algorithm
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Capillarity-Mediated Grain Growth in 3-D
p.1025

Modelling Zener Pinning: A Comparison of Different Computer Simulation Methods
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Critical Manifolds in Polycrystalline Grain Structures
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Introducing Solute Drag in Irregular Cellular Automata Modeling of Grain Growth
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Grain Growth Microstructures as Indicators of Sample Evolution
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Mesoscale Simulation of Grain Growth
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Mesoscale Simulation of the Evolution of the Grain Boundary Character Distribution
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Effect of Lattice Anisotropy on Simulations of Grain Boundary Movement in Two-Dimensions
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HomeMaterials Science ForumMaterials Science Forum Vols. 467-470Introducing Solute Drag in Irregular Cellular...

Introducing Solute Drag in Irregular Cellular Automata Modeling of Grain Growth

Abstract:

In this paper we discuss the principles of a combined approach to solve the problem of solute drag as it occurs in microstructure evolution processes such as grain growth, recrystallization and phase transformation. A recently developed irregular grid cellular automaton is used to simulate normal grain growth, in which the energy of the grain boundaries is the driving force. A new, discrete diffusion model is used to simulate solute segregation to the grain boundaries. The local concentration of the solute is then taken into account in the calculation of the local grain boundary mobility and/or grain boundary energy, thereby constituting a drag force. The relation between solute concentration and grain boundary mobility/energy is derived from molecular dynamics simulations.

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Periodical:

Materials Science Forum (Volumes 467-470)

Pages:

1045-1050

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.467-470.1045

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Online since:

October 2004

Authors:

Koenraad G.F. Janssens, Elizabeth A. Holm, Stephen M. Foiles

Keywords:

Cellular Automata (CA), Diffusion, Microstructure Evolution Modeling, Molecular Dynamic (MD), Solute Drag

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