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Crystals
Special Issues
Preparation and Applications of High-Entropy Materials
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Preparation and Applications of High-Entropy Materials

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Crystalline Metals and Alloys".

Deadline for manuscript submissions: 22 May 2025 | Viewed by 2613

Special Issue Editor

Dr. Bin Liu

E-Mail Website
Guest Editor
Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming, China
Interests: high entropy materials; structure and properties of materials; material design; physical property regulation; high entropy catalysis

Special Issue Information

Dear Colleagues,

Since high-entropy alloys (HEAs) were proposed, they have drawn extensive attention and brought many opportunities and challenges to the field of materials science. Recently, this concept has been rapidly and widely extended to ceramics, polymers, composites, etc., which are forming a new emerging material system named high-entropy materials (HEMs). Numerous studies have shown that large degrees of freedom in composition design and process design have been found to provide more possibilities and turnability for HEMs to overcome the bottlenecks of conventional materials and realize a broad range of microstructure and properties for practical applications, such as aerospace, corrosion engineering, energy conversion and storage, catalysis, superconductivity and thermoelectricity, and so on. To date, HEMs are continuously expanding, and a large number of new materials with unique properties and functions are being developed and applied in the potential fields. The present Special Issue aims to collect insightful papers on the latest development of HEMs. The topics include but are not limited to material design, preparation methods, microstructure characterizations, mechanical behaviors, physical and chemical properties, and the structural and functional applications of HEMs.

Dr. Bin Liu
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. Crystals 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 2100 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

  • high-entropy alloys
  • high-entropy materials
  • entropy
  • composition design
  • preparation methods
  • microstructure
  • structures and properties
  • structural materials
  • functional applications

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Published Papers (3 papers)

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Research

12 pages, 5723 KiB  
Article
Regulation of the Thermoelectric Properties of Perovskite RECoO3 Ceramics via High-Entropy Engineering
by Kezhen Zhang, Chengchao Yang, Xianpeng Ao, Yulong Zhao, Weihao Tan, Jinglong Wu, Bin Liu, Kun Dong, Liangwei Chen and Lan Yu
Crystals 2025, 15(3), 285; https://doi.org/10.3390/cryst15030285 - 20 Mar 2025
Viewed by 206
Abstract
Entropy engineering has been demonstrated to be an effective strategy to regulate the thermoelectric properties of materials. In this work, we report a series of single-phase cubic (La0.25Sr0.25Ba0.25Ca0.25)CoO3 (LSBC), (La0.25Nd0.25Sr [...] Read more.
Entropy engineering has been demonstrated to be an effective strategy to regulate the thermoelectric properties of materials. In this work, we report a series of single-phase cubic (La0.25Sr0.25Ba0.25Ca0.25)CoO3 (LSBC), (La0.25Nd0.25Sr0.25Ba0.25)CoO3 (LNSB), and (La0.2Nd0.2Sr0.2Ba0.2Ca0.2)CoO3 (LNSBC) ceramics based on high-entropy design in the Re site of perovskite RECoO3. Electron microscopy results indicate that the three samples have high crystallinity and exhibit a clear pore structure with rich lattice defects. Electrical transport measurements show that LNSB and LNSBC show metallic conductive behaviors with the lowest resistivity of only 2.25 mΩ cm at 973 K, while LSBC exhibits a semiconductor–metal transition at around 650 K due to the lower average chemical valences in the RE site. Meanwhile, the low average chemical valences also cause the increasing proportion of Co4+ due to the requirement of charge neutrality of the samples, which inhibits their Seebeck coefficients. However, compared with the reported Co-based perovskite oxides, their thermal conductivities are greatly reduced owing to high-entropy enhanced lattice scattering. LSBC in particular obtains the lowest thermal conductivity of 1.25 W·m−1·K−1 at 937 K, while LNSB and LNSBC characterized by high carrier thermal conductivity exhibit a thermal conductivity of 1.52 W·m−1·K−1 at the same temperature. These findings reveal that high-entropy design in the RE site of perovskite RECoO3 ceramics enables the effective reduction of thermal conductivity and the maintenance of the excellent electrical properties simultaneously, which provides a novel route for the development of high-performance thermoelectric materials. Full article
(This article belongs to the Special Issue Preparation and Applications of High-Entropy Materials)
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13 pages, 3345 KiB  
Article
Rapid Assessment of Stable Crystal Structures in Single-Phase High-Entropy Alloys via Graph Neural Network-Based Surrogate Modelling
by Nicholas Beaver, Aniruddha Dive, Marina Wong, Keita Shimanuki, Ananya Patil, Anthony Ferrell and Mohsen B. Kivy
Crystals 2024, 14(12), 1099; https://doi.org/10.3390/cryst14121099 - 20 Dec 2024
Viewed by 942
Abstract
To develop a rapid, reliable, and cost-effective method for predicting the structure of single-phase high-entropy alloys, a Graph Neural Network (ALIGNN-FF)-based approach was introduced. This method was successfully tested on 132 different high-entropy alloys, and the results were analyzed and compared with density [...] Read more.
To develop a rapid, reliable, and cost-effective method for predicting the structure of single-phase high-entropy alloys, a Graph Neural Network (ALIGNN-FF)-based approach was introduced. This method was successfully tested on 132 different high-entropy alloys, and the results were analyzed and compared with density functional theory and valence electron concentration calculations. Additionally, the effects of various factors on prediction accuracy, including lattice parameters and the number of supercells with unique atomic configurations, were investigated. The ALIGNN-FF-based approach was subsequently used to predict the structure of a novel cobalt-free 3d high-entropy alloy, and the result was experimentally verified. Full article
(This article belongs to the Special Issue Preparation and Applications of High-Entropy Materials)
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15 pages, 3529 KiB  
Article
Early Stages of Crack Nucleation Mechanism in Fe39Mn20Co20Cr15Si5Al1 High-Entropy Alloy during Stress Corrosion Cracking Phenomenon: Pit Initiation and Growth
by Pranshul Varshney and Nilesh Kumar
Crystals 2024, 14(8), 719; https://doi.org/10.3390/cryst14080719 - 11 Aug 2024
Viewed by 1067
Abstract
This study investigated the susceptible sites for pit nucleation in a transformation-induced plasticity (TRIP) Fe39Mn20Co20Cr15Si5Al1 (at.%) high-entropy alloy (HEA) in 3.5 wt.% NaCl solution. The investigation involved a constant-load stress corrosion cracking [...] Read more.
This study investigated the susceptible sites for pit nucleation in a transformation-induced plasticity (TRIP) Fe39Mn20Co20Cr15Si5Al1 (at.%) high-entropy alloy (HEA) in 3.5 wt.% NaCl solution. The investigation involved a constant-load stress corrosion cracking (SCC) experiment. The SCC testing was interrupted at different pre-determined time intervals to characterize the specimen surface using a scanning electron microscope (SEM), electron backscattered diffraction (EBSD), and a three-dimensional optical stereomicroscope. The EBSD results revealed pit nucleation at the susceptible γ–ε interphase and ε–ε interlath/plate boundaries. The three-dimensional profile and SEM results indicated an increase in pit depth with no change in pit diameter on the surface of the specimen as the experiment progressed over time. This study highlights the importance of microstructural features and mechanical loading in the corrosion behavior of TRIP HEAs, providing insights into the mechanisms of pit nucleation and growth under aggressive environmental conditions. Full article
(This article belongs to the Special Issue Preparation and Applications of High-Entropy Materials)
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