Thermodynamics and Kinetics Analysis of Metallic Material

A special issue of Metals (ISSN 2075-4701).

Deadline for manuscript submissions: 25 July 2025 | Viewed by 811

Special Issue Editor


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Guest Editor
School of Materials Science and Engineering, University of New South Wales, Kensington, Australia
Interests: solidification of metals and alloys; solid phase transformation; evolutions of microstructure and texture during thermomechanical processing of metals and alloys

Special Issue Information

Dear Colleagues,

Alloys have superior properties, a wide range of applications, and meet the needs of high-tech development. Thus, they have become an attractive research topic. Phase transformation as a kinetic process taking place under certain thermodynamic conditions, such as the creation of liquid and solid alloys under varying conditions of high pressure, low or high temperature, and composition, is a very active research field. Much important progress has been made in recent decades thanks to the development of experimental techniques and computer simulations. These achievements have affected various fields, ranging from phase transformation theory, solid-state physics, and chemistry to materials science. They have not only deepened our knowledge on liquid-solid, solid–solid, and solid–liquid phase transitions, but have also provided a better understanding of the melting of alloys. Thermodynamics, phase transformation kinetics, and structural evolution during phase transformation are crucial for understanding the structural properties of materials.

This Special Issue on thermodynamics and the phase transformation kinetics analysis of alloys aims to provide a forum for describing and discussing contemporary achievements. Our goal is to give special emphasis to phase transformation, focusing on thermodynamics and kinetics analysis, as well as their effects on physical properties. However, other topics (for example, structure evolution during the phase transformation of amorphous alloys and high-entropy alloys) are not excluded. Authors are invited to contribute to this Special Issue with articles presenting new experimental and theoretical advances. Contributions discussing the relationships between the phase transformation of alloys, the mechanism of these transformations, and their influence on physical and chemical properties are welcome.

Original articles and critical reviews from a wide range of disciplines are encouraged for submission to this Special Issue. The topics summarized under the keywords given below are only broad examples of the great number of topics this Special Issue has potential to encompass.

Dr. Wanqiang Xu
Guest Editor

Manuscript Submission Information

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Keywords

  • alloy materials
  • microstructure
  • thermodynamics
  • structure evolution
  • structure characterization
  • phase transformation kinetics
  • phase transformation theory
  • material fabrication and processing

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Published Papers (2 papers)

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Research

20 pages, 29323 KiB  
Article
CALPHAD-Assisted Analysis of Fe-Rich Intermetallics and Their Effect on the Mechanical Properties of Al-Fe-Si Sheets via Continuous Casting and Direct Rolling
by Longfei Li, Xiaolong Li, Lei Shi, Shouzhi Huang, Cong Xu, Guangxi Lu and Shaokang Guan
Metals 2025, 15(6), 578; https://doi.org/10.3390/met15060578 - 23 May 2025
Viewed by 287
Abstract
As an eco-efficient short-process manufacturing technique for aluminum alloys, twin-belt continuous casting and direct rolling (TBCCR) demonstrates significant production advantages. In this study, an Al-Fe-Si alloy system with different Fe-rich intermetallics (α-AlFe(Mn)Si and β-AlFe(Mn)Si) via TBCCR was developed for new energy vehicle batteries, [...] Read more.
As an eco-efficient short-process manufacturing technique for aluminum alloys, twin-belt continuous casting and direct rolling (TBCCR) demonstrates significant production advantages. In this study, an Al-Fe-Si alloy system with different Fe-rich intermetallics (α-AlFe(Mn)Si and β-AlFe(Mn)Si) via TBCCR was developed for new energy vehicle batteries, utilizing the Computer Coupling of Phase Diagrams and Thermochemistry (CALPHAD) technique. Comprehensive microstructure and surface segregation analyses of continuous casted ingots and direct-rolled sheets revealed that the Al-Fe-Si alloy with a combined Fe + Si content of 0.7% and an optimal Fe/Si atomic ratio of 3:1 (FS31) presents optimized mechanical properties: ultimate tensile strength of 145.8 MPa, elongation to failure of 5.7%, accompanied by a cupping value of 6.64 mm. Notably, Mn addition further refined the grain structure of casting ingots and enhanced the strength of both ingots and rolled sheets. Among the experimental alloys, FS14 (optimal Fe/Si atomic ratio of 1:4) sheets displayed the least surface segregation upon Mn incorporation. Through systematic optimization, an Al-Fe-Si-Mn alloy composition (Fe + Si = 0.7%, Fe/Si = 1:4 atomic ratio, 0.8 wt.% Mn) was engineered for TBCCR processing, achieving enhanced comprehensive performance: ultimate tensile strength of 189.4 MPa, elongation to failure of 7.32%, and cupping value of 7.71 mm. This composition achieves an optimal balance between grain refinement, mechanical properties (strength–plasticity synergy), formability (cupping value), and corrosion resistance (corrosion current density). The performance optimization strategy integrates synergistic improvements in strength, ductility, and corrosion resistance, providing valuable guidance for developing high-performance aluminum alloys suitable for the TBCCR process. Full article
(This article belongs to the Special Issue Thermodynamics and Kinetics Analysis of Metallic Material)
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19 pages, 10283 KiB  
Article
Effect of Phase Structure on the Properties of Additively Manufactured NiTi Alloy Based on Molecular Dynamics Simulation
by Tianxiang Zhao, Jiankang Huang, Huayu Zhao, Rui Xiang, Xueping Song and Ding Fan
Metals 2025, 15(4), 411; https://doi.org/10.3390/met15040411 - 5 Apr 2025
Viewed by 284
Abstract
NiTi alloy has been widely used due to its excellent shape memory effect, superelasticity, and high damping performance. These excellent properties are mainly derived from its unique phase structure. In order to further explore the effect of different phase ratios on the performance [...] Read more.
NiTi alloy has been widely used due to its excellent shape memory effect, superelasticity, and high damping performance. These excellent properties are mainly derived from its unique phase structure. In order to further explore the effect of different phase ratios on the performance of NiTi alloy, this study successfully prepared NiTi alloys with different atomic ratios by controlling the wire feeding speed to control the atomic ratio in the alloy. The results of TEM showed that the alloy with a lower Ni atomic ratio is enriched with Ti element, while the alloy with a higher Ni atomic ratio has a coexistence of NiTi phase and NiTi2 phase. At the same time, the compression performance showed that the increase in Ni atomic ratio can improve the compression performance of the alloy. In addition, by constructing a molecular dynamics model of NiTi alloys with different phase ratios, the unloading recovery behavior and phase transformation characteristics of the alloy under external force were analyzed. The results showed that with the increase of the NiTi2 phase ratio in the alloy, the irrecoverable strain also increases, exceeding the elastic strain limit of the NiTi2 phase, resulting in the generation of disordered structure and plastic deformation in the late deformation stage. In addition, with the increase of the NiTi2 phase ratio, the energy dissipation area of the hysteresis curve increases, reflecting a greater energy loss. Full article
(This article belongs to the Special Issue Thermodynamics and Kinetics Analysis of Metallic Material)
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