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Microstructure and Defect Simulation during Solidification of Alloys
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Microstructure and Defect Simulation during Solidification of Alloys

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Materials Simulation and Design".

Deadline for manuscript submissions: closed (20 February 2026) | Viewed by 3448

Special Issue Editor

Dr. Ang Zhang

E-Mail Website
Guest Editor
College of Materials Science and Engineering, Chongqing University, Chongqing, China
Interests: microstructure; defect; solidification; simulation
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Solidification plays an important role in a large variety of processes ranging from casting and welding to additive manufacturing. The solidification process is governed primarily by the free energy difference between the parent phase and potential new phases. The corresponding solidification theory has advanced extensively in the past few centuries, offering an extraordinary guide for the optimization of material properties. To obtain modern alloy products which satisfy the needs of the present industry, higher requirements are put forward for the control of microstructure and defects during solidification.

Numerical simulation, which provides a better establishment of microstructure–processing–properties relationships, is attracting increasing attention in academia and industry. Computational approaches allow more accurate and detailed models (such as phase-field method, cellular automaton, and level set) to be constructed, shedding light on many important solidification phenomena. The successful identification of solidification behavior and thermodynamic principles further promotes the development of simulation techniques in predicting microstructure and defects, which enriches the design, optimization, and operation of alloys and provides guidance for the improvement of material properties.

This Special Issue aims to review recent progress and new developments in microstructure and defect simulation during solidification. All aspects related to solidification processes (e.g., nucleation, interface kinetics, crystal growth, thermodynamics, and heat and mass transfer) are covered. Review articles which describe the current state of the art are also welcome.

Dr. Ang Zhang
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Materials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • microstructure
  • defect
  • solidification
  • alloys

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Published Papers (3 papers)

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Research

22 pages, 7617 KB  
Article
Synergistic Effects of Liquid Solute Concentration and Cooling Rate on Secondary α2-Al Formation in High-Solid-Fraction Rheo-Diecast Al-Si Alloys: An Integrated Experimental and Phase-Field Study
by Song Chen, Wangwang Kuang, Jian Feng, Hongmiao Wang and Daquan Li
Materials 2026, 19(5), 904; https://doi.org/10.3390/ma19050904 - 27 Feb 2026
Viewed by 343
Abstract
The synergistic effects of solute concentration and cooling rate on the evolution of secondary α2-Al during high-solid-fraction rheo-diecasting of Al-xSi (x = 1, 4, 7 wt.%) alloys was studied. Combined gradient-cooling experiments (100 vs. 10 K/s) and phase-field simulations show that [...] Read more.
The synergistic effects of solute concentration and cooling rate on the evolution of secondary α2-Al during high-solid-fraction rheo-diecasting of Al-xSi (x = 1, 4, 7 wt.%) alloys was studied. Combined gradient-cooling experiments (100 vs. 10 K/s) and phase-field simulations show that the population and morphology of secondary α2-Al are co-governed by initial Si content and cooling rate. Higher cooling rates promote finer, more uniform secondary α2-Al in Al-1Si and Al-4Si, while lower cooling rates cause coarsening and coalescence. In addition, the formation of α2-Al is severely suppressed in Al-7Si. Crucially, a lower initial solute concentration significantly amplifies cooling rate-induced solute enrichment, quantitatively evidenced by the final liquid concentration difference (Al-1Si: 0.83 wt.% > Al-4Si: 0.29 wt.% > Al-7Si: 0.13 wt.%). This enrichment governs the dynamic competition between constitutional and thermal undercooling, contributing a substantially greater driving force for early-stage nucleation in Al-1Si compared to Al-7Si. As solidification progresses in all three systems, the enrichment of the residual liquid narrows the solidification interval, thereby progressively elevating the role of thermal undercooling. Full article
(This article belongs to the Special Issue Microstructure and Defect Simulation during Solidification of Alloys)
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20 pages, 5441 KB  
Article
Study on the γ/γ′ Eutectic Inhomogeneity of a Novel 3rd Generation Nickel-Based Single-Crystal Superalloy Casting
by Xiaoshan Liu, Anping Long, Haijie Zhang, Dexin Ma, Min Song, Menghuai Wu and Jianzheng Guo
Materials 2025, 18(21), 4872; https://doi.org/10.3390/ma18214872 - 24 Oct 2025
Viewed by 897
Abstract
In the manufacture of single-crystal blades for aero-engines, the problem of eutectic aggregation on the upper surface of the blades has long been restricting the casting performance improvement. To investigate this phenomenon, this paper employs a simplified blade-like shape casting and focuses a [...] Read more.
In the manufacture of single-crystal blades for aero-engines, the problem of eutectic aggregation on the upper surface of the blades has long been restricting the casting performance improvement. To investigate this phenomenon, this paper employs a simplified blade-like shape casting and focuses a 3rd generation nickel-based single-crystal superalloy as the research material. A systematic analysis is conducted to elucidate the distribution of γ/γ’ eutectic during solidification. Experimental results show distinct spatial variations in γ/γ’ eutectic distribution. Pronounced eutectic aggregation is observed on the upper surface of the blade but with sparse eutectic dispersion‌ on the lower regions of the casting. Relatively uniform eutectic distribution‌ dominates the mid-section of the specimen. To unravel the underlying mechanisms, this paper utilized a ‌multiphase volume-averaged solidification model‌, developed in prior work, to numerically simulate the γ/γ’ eutectic evolution during directional solidification. This computational framework enabled a comprehensive ‌quantitative analysis‌ of spatial and temporal variations in the eutectic volume fraction along the solidification direction. The integration of experimental and modeling approaches provides critical insights into the interplay between thermal gradients, alloy composition, and microstructural heterogeneity. Full article
(This article belongs to the Special Issue Microstructure and Defect Simulation during Solidification of Alloys)
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18 pages, 8882 KB  
Article
Effects of Cooling Rate and Solid Fraction on α-Al Phase Evolution in Rheo-Die Casting: Phase-Field Simulation and Experimental Investigation
by Song Chen, Wangwang Kuang, Jian Feng, Hongmiao Wang, Fan Zhang and Daquan Li
Materials 2025, 18(17), 4169; https://doi.org/10.3390/ma18174169 - 5 Sep 2025
Cited by 1 | Viewed by 1379
Abstract
This study aims to bridge the critical knowledge gap in understanding the dynamic microstructural evolution during high-solid-fraction semi-solid rheo-die casting process, including slurry preparation (0.1–0.3 K/s) and rheo-die casting (10–150 K/s). A novel phase-field model coupling continuous cooling with explicit nucleation was developed, [...] Read more.
This study aims to bridge the critical knowledge gap in understanding the dynamic microstructural evolution during high-solid-fraction semi-solid rheo-die casting process, including slurry preparation (0.1–0.3 K/s) and rheo-die casting (10–150 K/s). A novel phase-field model coupling continuous cooling with explicit nucleation was developed, enabling the dynamic simulation of continuous solidification microstructure evolution, considering two-stage cooling rate transition characteristics. Integrated the Swirled Enthalpy Equilibration Device (SEED) slurry preparation and graded-cooling mold experiments established variable cooling rate and solid fraction conditions for quantitative analysis of α-Al morphological evolution during rheo-die casting solidification. Through experimental and simulation investigations of the Al-7Si alloy, it is concluded that during Stage I slurry preparation, the primary α1-Al phase coarsened due to Ostwald ripening. In Stage II rheo-die casting, primary α1-Al undergoes continued growth under a moderate cooling rate (15 K/s). Meanwhile, secondary α2-Al formation exhibits a cooling-rate and solid fraction dependence: a high cooling rate (150 K/s) promotes explosive nucleation with the volume fraction decreasing from 4.78% to 0.33% as the solid fraction rises, whereas a mid-cooling rate (15 K/s) substantially suppresses its formation. Mechanistically, a high cooling rate promotes solute trapping, which intensifies constitutional undercooling, thereby elevating both the nucleation and growth driving forces to facilitate the formation of secondary α2-Al, whereas higher solid fractions restrict secondary phase formation by narrowing the solidification windows from 22 °C to 7 °C. Full article
(This article belongs to the Special Issue Microstructure and Defect Simulation during Solidification of Alloys)
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