Advances in Calculations and Experimental Analysis of Structural and Phase Stability in Metals and Alloys
A special issue of Metals (ISSN 2075-4701). This special issue belongs to the section "Computation and Simulation on Metals".
Deadline for manuscript submissions: 30 April 2026 | Viewed by 4
Special Issue Editor
Interests: mathematical modeling of alloys and metallic liquids; CALPHAD; ab initio; application of machine learning in materials science
Special Issue Information
Dear Colleagues,
Recent advances in materials science are increasingly driven by the integration of computational modeling and experimental validation, enabling a more predictive approach to developing metals and alloys. This Special Issue focuses on the calculations and experimental analysis of structural and phase stability in metallic systems, emphasizing materials by design and materials genome strategies that accelerate discovery and optimization.
The ability to model material behavior across different scales—from atomic to macroscopic—has opened new avenues in understanding phase stability, transformation mechanisms, and structure–property relationships. Tools such as ab initio calculations, phase-field simulations, CALPHAD, and machine learning are now routinely used to predict phase diagrams, thermodynamic properties, and microstructural evolution. These predictions must be supported by experimental data obtained through in situ and high-resolution techniques, including diffraction, microscopy, and spectroscopy.
This Special Issue welcomes contributions that explore the synergy between computational predictions and experimental validation in the study of metals, alloys, and composite systems. Topics of interest include
- Modeling of structural and phase stability under various conditions;
- Data-driven or high-throughput materials design;
- Experimental studies that validate or inform simulations;
- Coupled studies on processing, structure, and performance;
- Applications of materials informatics in alloy development.
Research that bridges theory and application, especially studies with high potential for practical implementation, is encouraged. Submissions may focus on bulk materials, thin films, or powders, with attention to how processing and composition influence final properties.
Prof. Dr. Wojciech Gierlotka
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 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. Metals is an international peer-reviewed open access monthly 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
- computational materials science
- experimental determination of metallic systems, XRD method
- calorimetry
- beam epitaxy
- metallography
- CALPHAD
- ab initio
- phase field
- thermodynamics
- machine learning
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