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Metallic Materials: Microstructure, Phase Equilibria and Thermodynamics—2nd Edition

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

Deadline for manuscript submissions: 20 December 2025 | Viewed by 439

Special Issue Editors

State Key Laboratory of Powder Metallurgy, Central South University, Changsha, China
Interests: phase equilibria; thermodynamics; diffusion kinetics; simulation of microstructure evolution
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Guest Editor
State Key Laboratory of Powder Metallurgy, Central South University, Changsha, China
Interests: metal matrix composites; thermodynamics; superalloys
Special Issues, Collections and Topics in MDPI journals

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Guest Editor
State Key Laboratory of Powder Metallurgy, Central South University, Changsha, China
Interests: phase diagram thermodynamics; diffusion and interface reaction; material measurement and calculation simulation; material microstructure evolution simulation
Special Issues, Collections and Topics in MDPI journals

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Guest Editor
School of Materials Science and Engineering, Shanghai University, Shanghai, China
Interests: thermodynamics; phase transformation; kinetics; magnesium alloys
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Thermodynamics describes the state of a system and its interaction with its surroundings, which is an extremely powerful tool in the field of materials science. The first law of thermodynamics, which describes the conservation of energy; the second law, which describes the principle of entropy increase; and the third law, which describes the inability to reach absolute zero, form the core theory of thermodynamics. The study of thermodynamics is central to the understanding of phase equilibria and phase transformation, which helps to construct relationships between composition, microstructure, processes and properties.

The relationship between thermodynamic functions and the equilibrium phase diagram of a binary system was made explicit as early as 1908. With computers continuing to improve, Kaufmann proposed lattice stability in 1970, the seminal work for the CALculation of PHAse Diagram (CALPHAD). With than 50 years of development in engineering design and computational simulation, a particularly successful and widely used modeling method in thermodynamics is the CALPHAD method. This method can predict phase equilibria, phase diagrams and various thermophysical parameters, which are key inputs for microstructure simulation and performance prediction.

Microstructure, phase equilibria and thermodynamics are the basis for integrated computational materials engineering and need to be studied systematically and in depth.

In light of the above, we invite you to submit a manuscript for this Special Issue. Full papers, communications, and reviews are all welcome.

Dr. Yuling Liu
Dr. Peisheng Wang
Prof. Dr. Yong Du
Prof. Dr. Qun Luo
Guest Editors

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. 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

  • phase diagram
  • CALPHAD
  • thermodynamics
  • microstructure
  • materials design
  • phase transformation

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Published Papers (1 paper)

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Research

16 pages, 3151 KiB  
Article
Solid-State Thermal Decomposition in a Cu-Rich Cu-Ti-Zr Alloy
by Chenying Shi, Biaobiao Yang, Yuling Liu, Wei Shao, Yidi Li, Yunping Li, Dewen Zeng and Yong Du
Materials 2025, 18(13), 3042; https://doi.org/10.3390/ma18133042 - 26 Jun 2025
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Abstract
Solid-state thermal decomposition in the Cu-13.3Ti-3.8Zr (at.%) alloy was studied using a synthesized method, including the temperature–concentration gradient and differential scanning calorimetry experiments within a single experimental cycle, as well as first principle calculations. Experimentally, the decomposition pathway and the solid solubility of [...] Read more.
Solid-state thermal decomposition in the Cu-13.3Ti-3.8Zr (at.%) alloy was studied using a synthesized method, including the temperature–concentration gradient and differential scanning calorimetry experiments within a single experimental cycle, as well as first principle calculations. Experimentally, the decomposition pathway and the solid solubility of Ti/Zr in the Cu matrix in the temperature range of 820 °C to 801.5 °C were observed in the Cu-13.3Ti-3.8Zr (at.%) alloy. The primary solid phase is (Cu) phase and subsequently precipitated Cu51Zr14 and Cu4Ti phases. These features are valuable for understanding the thermal stability and solid-state phase equilibria of the alloy. First principle calculations, including formation enthalpy, charge density, and electron localization function analyses, were conducted to evaluate the thermal, structural, and electrical stability of Cu51Zr14 with and without Ti doping, as well as Cu4Ti. The present work introduces an effective strategy for determining both the solid-state thermal decomposition pathway and the phase diagram within the solid-state region within a single experimental cycle. Full article
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