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Title: Multiscale dendritic needle network model of alloy solidification with fluid flow

Abstract

We present a mathematical formulation of a multiscale model for solidification with convective flow in the liquid phase. The model is an extension of the dendritic needle network approach for crystal growth in a binary alloy. We propose a simple numerical implementation based on finite differences and step-wise approximations of parabolic dendritic branches of arbitrary orientation. Results of the two-dimensional model are verified against reference benchmark solutions for steady, unsteady, and buoyant flow, as well as steady-state dendritic growth in the diffusive regime. Simulations of equiaxed growth under forced flow yield dendrite tip velocities within 10% of quantitative phase-field results from the literature. Finally, we perform illustrative simulations of polycrystalline solidification using physical parameters for an aluminum-10wt% copper alloy. Resulting microstructures show notable differences when taking into account natural buoyancy in comparison to a purely diffusive transport regime. The resulting model opens new avenues for computationally and quantitatively investigating the influence of fluid flow and gravity-induced buoyancy upon the selection of dendritic microstructures. Further ongoing developments include an equivalent formulation for directional solidification conditions and the implementation of the model in three dimensions, which is critical for quantitative comparison to experimental measurements.

Authors:
 [1]; ORCiD logo [2];  [3]
  1. IMDEA materials Inst., Madrid (Spain)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Colorado School Mines, Golden, CO (United States). George S. Ansell Dept. of Metallurgical and Materials Engineering
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP) (NA-10)
OSTI Identifier:
1511240
Report Number(s):
LA-UR-18-27555
Journal ID: ISSN 0927-0256
Grant/Contract Number:  
89233218CNA000001
Resource Type:
Accepted Manuscript
Journal Name:
Computational Materials Science
Additional Journal Information:
Journal Volume: 162; Journal ID: ISSN 0927-0256
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 97 MATHEMATICS AND COMPUTING; Solidi cation; Dendritic growth; Multiscale modeling; Computational fluid dynamics

Citation Formats

Tourret, Damien M, Francois, Marianne M., and Clarke, Amy Jean. Multiscale dendritic needle network model of alloy solidification with fluid flow. United States: N. p., 2019. Web. doi:10.1016/j.commatsci.2019.02.031.
Tourret, Damien M, Francois, Marianne M., & Clarke, Amy Jean. Multiscale dendritic needle network model of alloy solidification with fluid flow. United States. doi:10.1016/j.commatsci.2019.02.031.
Tourret, Damien M, Francois, Marianne M., and Clarke, Amy Jean. Thu . "Multiscale dendritic needle network model of alloy solidification with fluid flow". United States. doi:10.1016/j.commatsci.2019.02.031.
@article{osti_1511240,
title = {Multiscale dendritic needle network model of alloy solidification with fluid flow},
author = {Tourret, Damien M and Francois, Marianne M. and Clarke, Amy Jean},
abstractNote = {We present a mathematical formulation of a multiscale model for solidification with convective flow in the liquid phase. The model is an extension of the dendritic needle network approach for crystal growth in a binary alloy. We propose a simple numerical implementation based on finite differences and step-wise approximations of parabolic dendritic branches of arbitrary orientation. Results of the two-dimensional model are verified against reference benchmark solutions for steady, unsteady, and buoyant flow, as well as steady-state dendritic growth in the diffusive regime. Simulations of equiaxed growth under forced flow yield dendrite tip velocities within 10% of quantitative phase-field results from the literature. Finally, we perform illustrative simulations of polycrystalline solidification using physical parameters for an aluminum-10wt% copper alloy. Resulting microstructures show notable differences when taking into account natural buoyancy in comparison to a purely diffusive transport regime. The resulting model opens new avenues for computationally and quantitatively investigating the influence of fluid flow and gravity-induced buoyancy upon the selection of dendritic microstructures. Further ongoing developments include an equivalent formulation for directional solidification conditions and the implementation of the model in three dimensions, which is critical for quantitative comparison to experimental measurements.},
doi = {10.1016/j.commatsci.2019.02.031},
journal = {Computational Materials Science},
number = ,
volume = 162,
place = {United States},
year = {2019},
month = {3}
}

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This content will become publicly available on March 7, 2020
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