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Special Issue "Phase Transformation Theory and Microstructure Simulation of Alloys"

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

Deadline for manuscript submissions: 20 October 2023 | Viewed by 810

Special Issue Editor

College of Materials Science and Engineering, Chongqing University, Chongqing, China
Interests: phase transformation; microstructure; modeling and simulation; alloys

Special Issue Information

Dear Colleagues,

Phase transformation occurs in a large variety of alloys subjected to a change in temperature or pressure. The transformation process is governed primarily by the free-energy difference between the parent phase and potential new phases. The corresponding phase transformation theory has gone a long way in the past few centuries, offering an extraordinary guide for the optimization of material properties. The new chemical composition strategies and the new technologies of casting, metal forming, heat treatment, and additive manufacturing allow us to obtain modern alloy products which satisfy the needs of the present industry. The development of phase transformation theory is directly related to a continuous progress in microstructure simulation techniques, which benefits the better establishment of microstructure–processing–properties relationships. The successful identification of multiphase microstructure and thermodynamic evolution requires the promotion and application of phase transformation theory and simulation techniques, which enriches the design, optimization, and operation of alloys and lays the foundation for material discovery.

This Special Issue aims to cover recent progress and new developments in the phase transformation theory and microstructure simulation of alloys. All aspects related to phase transformation (e.g., solidification, heat treatment, and thermomechanical processing), physical and numerical simulation, and related structural characterization are covered. Review articles which describe the current state of the art are also welcomed.

Dr. Ang Zhang
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at 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 100 words) can be sent to the Editorial Office for announcement on this website.

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 2300 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.


  • phase transformation
  • microstructure
  • modeling and simulation
  • alloys

Published Papers (1 paper)

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Influence of the Composition and Vacancy Concentration on Cluster Decomposition Behavior in Al–Si–Mg Alloy: A Kinetic Monte Carlo Study
Materials 2022, 15(19), 6552; - 21 Sep 2022
Cited by 1 | Viewed by 610
The influence of cluster composition and the addition of vacancies on the decomposition behavior of clusters during artificial aging in Al–Si–Mg alloys were analyzed according to the kinetic Montel Carlo model. Clusters with a balanced composition (Mg/(Mg + Si) = 0.5) were the [...] Read more.
The influence of cluster composition and the addition of vacancies on the decomposition behavior of clusters during artificial aging in Al–Si–Mg alloys were analyzed according to the kinetic Montel Carlo model. Clusters with a balanced composition (Mg/(Mg + Si) = 0.5) were the most difficult to decompose. In addition, the cluster decomposition was slower when more vacancies were added to the cluster. Among Si, Mg, and vacancies, vacancies most significantly affect decomposition. The clusters with Mg/(Mg + Si) ≤ 0.4 strongly trap vacancies, which can be classified as hardly decomposable vacancy-rich clusters. The clustering behavior during natural aging and the effect of pre-aging were analyzed using the Kinetic Monte Carlo model. Pre-aging slows down cluster formation due to the lowered vacancy concentration. In addition, the overall composition of the clusters changes to easily decomposable clusters after pre-aging. Thus, not only is the number of clusters reduced but also the clusters are more easily decomposable when pre-aging is performed. Full article
(This article belongs to the Special Issue Phase Transformation Theory and Microstructure Simulation of Alloys)
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