Predictions of Stable and Metastable Phase Formations in Aluminum Alloys

Using methods of statistical kinetic theory parametrized with first-principles interatomic interactions that include chemical and strain contributions, we investigated the kinetics of decomposition and microstructure formation in Al-Cu alloys as a function of temperature and alloy concentration. We show that the decomposition of the solid solution forming platelets of copper, known as Guinier-Preston (GP) zones, includes several stages and that the transition from GP1 to GP2 zones is determined mainly by kinetic factors. With increasing temperature, the model predicts a gradual transition from platelet-like precipitates to equiaxial ones and at intermediate temperatures both precipitate morphologies may coexist.

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“…As it seen in Fig. 7, our calculations predict the position of the GPZ solvus very close to experiment [22].…”

Section: Discussionsupporting

confidence: 85%

“…Our model predicts the existence of a two-phase region where the precipitates are in equilibrium with the solid solution. [21] and GP1 solvus [22], respectively. Line 2 represents the result of Monte-Carlo modeling [14] of solid solution decomposition to form GPZ.…”

Section: Discussionmentioning

confidence: 99%

Solid solution decomposition and Guinier-Preston zone formation in Al-Cu alloys: A kinetic theory with anisotropic interactions

Stroev

Gorbatov

Gornostyrev

et al. 2018

Phys. Rev. Materials

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“…Thermo-Calc’s TCAL3 aluminum database, version 3, was used herein. Both the software and database have been experimentally validated in numerous experimental tests [ 22 , 23 , 24 , 25 , 26 , 27 ]. While this paper does not detail said results, they are readily available in the aforementioned references.…”

Section: Methods and Computational Thermodynamic And Kinetic Modelmentioning

confidence: 99%

On the Elemental Impact Factor, a Method to Determine an Alloy’s Compositional Influences upon Phase Stability and Metallurgical Material Properties

et al. 2020

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Design-driven materials engineering is gaining wider acceptance with the advancement and refinement of commercially available thermodynamic software as well as enhanced computing power. Computationally designed materials are a significant improvement over the more common and resource-intensive experimental approach to materials design by way of trial and error. While not entirely eliminating experimental methods for alloy design, thermodynamic and kinetic models provide accurate predictions of phases within a given alloy, which enables material properties to be calculated. Accordingly, the present paper introduces a new technique that offers a systematic method of material design by way of utilizing commercial computational software, which has been termed the elemental impact factor. In turn, the present manuscript considers Al 6061 as a proof-of-concept metallic alloy system for elemental impact factor substantiation. Effects of chemical composition on resultant equilibrium and metastable material phases as well as properties can be efficiently assessed with the elemental impact factor framework for metallurgical materials design. Desired phases or properties may be produced by adding elements with a positive elemental impact factor, while deleterious phases or undesired properties may be reduced by adding elements with a negative elemental impact factor. Therefore, the elemental impact factor methodology was presented and then demonstrated herein with examples that showcase the technique’s potential applications and utility for integrated structure-processing-property-performance analysis.

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“…为了提高数据库对商用合金预测的准确度, 还要充分考虑关键体系的计算精度及商用合金的重要析出相, 并对这些体系及析出相的热力学模型和参数进行相应调整 [26] . 例如, [28] . 图3是基于数据库计算的Al-Cu 稳定相图从0到50 at% Cu的区域.…”

Section: 第二代相图热力学数据库(现在)unclassified

“…7XXX合金中还报道了一系列亚稳析出相及相应的析出序列GPI区→GPII区(θ′′)→θ′→θ→Ω [29] . 沿着Murray [30] 的工作, Chen等 [28] 在Al-Cu体系亚稳相的模拟工…”

Section: 示的富铝角较简单的相关系在商用2xxx、6xxx及unclassified

Thermodynamic databases and software: past, present and future

Liu

et al. 2019

Sci. Sin.-Chim

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Predictions of Stable and Metastable Phase Formations in Aluminum Alloys

Cited by 11 publications

References 37 publications

Solid solution decomposition and Guinier-Preston zone formation in Al-Cu alloys: A kinetic theory with anisotropic interactions

Solid solution decomposition and Guinier-Preston zone formation in Al-Cu alloys: A kinetic theory with anisotropic interactions

On the Elemental Impact Factor, a Method to Determine an Alloy’s Compositional Influences upon Phase Stability and Metallurgical Material Properties

Thermodynamic databases and software: past, present and future

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