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Modélisation 3D de structures de grains par une approche automate cellulaire. Application à la compétition de croissance dendritique et à la cristallisation du silicium polycristallin

Abstract : Grains structures obtained during solidification processes strongly influence the properties of technical products. It is specially the case for cast parts in metallic alloys, or for silicon photovoltaic cells. The CA-FE (Cellular Automaton - Finite Elements) method aims to model grain structure evolution during solidification at a macroscopic scale, but also requires approximations at smaller scales. In this work, two distinct studies are proposed. First, CA simulations of growth competition among columnar dendritic grains are carried out for a succinonitrile-0.4 wt% acetone alloy. This is achieved by computing the grain goundary orientation during directional solidification. Comparisons are subsequently conducted with recent phase field results derived under the same conditions. An excellent agreement is found with phase field simulations results within arange of intermediate cell size centered around the maximum step between primary stationary dendrite tips of the two competing grains. The Esaka configuration, corresponding to a dendritic growth competition for a succinonitrile-1.3 wt% acetone alloy, is also studied. Polycristalline silicon growth was investigated within the ANR CrySaLID project. The CA method was enriched to allow facets growth and grains in twin relationship modeling. These developements use a geometrical approach based on in situ and ex situ experimental observations. The resulting numerical model was applied to experimental configurations and good qualitative and quantitative agreements were found. Simulations over a cubic and centimetric domain were lastly conducted. It was found that facets growth and twin nucleations strongly modify the grains structure compared to a dendritic microstructrure.
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Submitted on : Thursday, January 7, 2021 - 2:57:10 PM
Last modification on : Saturday, January 9, 2021 - 3:06:00 AM

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  • HAL Id : tel-03102308, version 1

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Adrian Pineau. Modélisation 3D de structures de grains par une approche automate cellulaire. Application à la compétition de croissance dendritique et à la cristallisation du silicium polycristallin. Mécanique des matériaux [physics.class-ph]. Université Paris sciences et lettres, 2019. Français. ⟨NNT : 2019PSLEM042⟩. ⟨tel-03102308⟩

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