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A special issue of Applied Sciences (ISSN 2076-3417). This special issue belongs to the section "Materials Science and Engineering".

Deadline for manuscript submissions: 20 May 2026 | Viewed by 2296

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Dr. Xingwei Liu

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Guest Editor

School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China
Interests: alloys; reactive structural materials; interfacial complexions; powder metallurgy
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Prof. Dr. Jinxu Liu

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Guest Editor

School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China
Interests: reactive structural materials; powder metallurgy; W/Mo-Cu alloys; Ti alloys; dynamic property
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The Special Issue provides an international medium for the publication of theoretical and experimental studies related to the load-bearing capacity of materials, as influenced by their basic properties, processing methods, microstructure, and operating environment.

The work published in the Special Issue should comprise studies on synthesis and structure combined with investigations of the chemical and physical properties of alloys, contributing to the development of areas of current scientific interests. The following aspects of the science and engineering of metals or alloy materials are of particular interest: (i) advanced experiments and theory as they relate to the understanding of the properties, and (ii) the characterization of the structure and chemistry of materials, specifically as it relates to the understanding of the properties.

Dr. Xingwei Liu
Prof. Dr. Jinxu Liu
Guest Editors

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Keywords

alloys characterization
high-performance structure materials
mechanical behavior of alloys

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Published Papers (3 papers)

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Research

17 pages, 2483 KB

Open AccessArticle

Exploration of Structural, Thermodynamic, Magnetic, Mechanical, and Dynamical Properties of Martensite Fe₃Pt Alloys: A Density Functional Theory Study

by Ndanduleni L. Lethole and Emeka H. Onah

Appl. Sci. 2026, 16(7), 3187; https://doi.org/10.3390/app16073187 - 26 Mar 2026

Viewed by 291

Abstract

The current study explored the martensite structures of Fe₃Pt alloys, specifically

C m m m

-Fe₃Pt,

P 6_{3} / m m c

-Fe₃Pt,

P 4 / m m m

-Fe₃Pt, and [...] Read more.

The current study explored the martensite structures of Fe₃Pt alloys, specifically

C m m m

-Fe₃Pt,

P 6_{3} / m m c

-Fe₃Pt,

P 4 / m m m

-Fe₃Pt, and

R \bar{3} m

-Fe₃Pt, aiming to provide a comprehensive understanding of the mechanisms that govern their physical and chemical properties. We have focused on their structural, thermodynamical, magnetic, electronic, mechanical, and dynamical characteristics, utilizing the density functional theory (DFT) technique. Our study revealed that in addition to the previously reported austenitic cubic

P m \bar{3} m

-Fe₃Pt and martensite tetragonal

I 4 / m m m

-Fe₃Pt with L1₂ structure, there exist additional Fe₃Pt phases that exhibit excellent structural, thermodynamic, magnetic, and mechanical properties. The calculated enthalpies of formation were found to be negative and less than −0.39 eV in all the structures considered, indicating thermodynamic stability and formation under experimental synthetic conditions. Moreover, the computed magnetic moments are in the range 2.94 to 3.04

μ_{B}

, which is relatively comparable to 3.24

μ_{B}

of the widely reported

P m \bar{3} m

-Fe₃Pt alloy. The analysis of the electronic structure also revealed strong magnetism due to the presence of asymmetry in the spin-up and -down states of the density of states (DOS) plots. To determine the mechanical response of Fe₃Pt structures under loading conditions, we computed the independent elastic constants, macroscopic properties, and stress–strain relationship under hydrostatic stress. All four phases were studied, but the hypothetical

P 6_{3} / m m c

-Fe₃Pt showed excellent mechanical stability at ambient conditions and exceptional hardness and resistance to compression in the elastic region 0% ≤ strain ≤ 10%. This evidence is provided by satisfying the Born necessary stability conditions, large bulk modulus, and a strong linear relationship fit (

R^{2}

) of greater than 0.94. Moreover, the phonon dispersion curves revealed dynamical stability for

C m m m

-Fe₃Pt and

R \bar{3} m

-Fe₃Pt, and metastability for

P 4 / m m m

-Fe₃Pt, while the hypothetical

P 6_{3} / m m c

-Fe₃Pt is unstable. Full article

(This article belongs to the Special Issue Characterization and Mechanical Properties of Alloys)

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19 pages, 7560 KB

Open AccessFeature PaperArticle

Effects of Voltage on the Microstructure and Properties of Micro-Arc Oxidation Coatings of Zirconium Alloy

by Yao Mu, Xinya Feng, Xingwei Liu, Shuo Li and Jinxu Liu

Appl. Sci. 2026, 16(2), 1142; https://doi.org/10.3390/app16021142 - 22 Jan 2026

Viewed by 340

Abstract

To enhance the wear and corrosion resistance of Zr alloy components in marine engineering, this study investigated the influence of the applied voltage (ranging from 470 to 620 V) on the morphology, structure, and properties of ceramic coatings formed on a Zr alloy substrate by Micro-arc Oxidation (MAO) in a silicate–phosphate composite electrolyte. The results showed that with increasing voltage, the coating thickness increased (from 15.12 to 52.80 μm) and the surface roughness increased (from 1.12 to 4.89 μm), while both the surface and cross-sectional porosity first increased and then reached their minimum values at 620 V (1.61% and 5.75%, respectively). Phase analyses indicated that the coatings consisted mainly of monoclinic ZrO₂ (m-ZrO₂), along with minor amounts of SiO₂, ZrSiO₄, and Zr₃(PO₄)₄. The coating prepared at 620 V exhibited optimal performance: its hardness was 1.98 times that of the substrate, the wear volume decreased by approximately 87%, the self-corrosion potential shifted positively by 539 mV, the corrosion current density decreased by nearly two orders of magnitude, and the polarization resistance increased by approximately two orders of magnitude. These results demonstrate a substantial improvement in the service performance of Zr alloys for marine applications. Full article

(This article belongs to the Special Issue Characterization and Mechanical Properties of Alloys)

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17 pages, 9827 KB

Open AccessArticle

High-Temperature Mechanical and Wear Behavior of Hypoeutectic Al–Si–(Cu)–Mg Alloys with Hardening Mechanisms Dictated by Varying Cu:Mg Ratios

by Jaehui Bang, Yeontae Kim and Eunkyung Lee

Appl. Sci. 2025, 15(14), 8047; https://doi.org/10.3390/app15148047 - 19 Jul 2025

Viewed by 1103

Abstract

Enhancing damage tolerance and wear resistance in Al–Si-based alloys under thermomechanical stress remains a key challenge in lightweight structural applications. This study investigates the microstructural and tribomechanical behavior of hypoeutectic Al–Si–(Cu)–Mg alloys with varying Cu:Mg ratios (3:1 vs. 1:3) under a T6 heat treatment. Alloys A and B, with identical Si contents but differing Cu and Mg levels, were subjected to multiscale microstructural characterization and mechanical and wear testing at 25 °C, 150 °C, and 250 °C. Alloy A (Cu-rich) exhibited refined α-Al(FeMn)Si phases and homogeneously dissolved Cu in the Al matrix, promoting lattice contraction and dislocation pinning. In contrast, Alloy B (Mg-rich) retained coarse Mg₂Si and residual β-AlFeSi phases, which induced local stress concentrations and thermal instability. Under tribological testing, Alloy A showed slightly higher friction coefficients (0.38–0.43) but up to 26.4% lower wear rates across all temperatures. At 250 °C, Alloy B exhibited a 25.2% increase in the wear rate, accompanied by surface degradation such as delamination and spalling due to β-AlFeSi fragmentation and matrix softening. These results confirm that the Cu:Mg ratio critically influences the dominant hardening mechanism—the solid solution vs. precipitation—and determines the high-temperature performance. Alloy A maintained up to 14.1% higher tensile strength and 22.3% higher hardness, exhibiting greater shear resistance and interfacial stability. This work provides a compositionally guided framework for designing thermally durable Al–Si-based alloys with improved wear resistance under elevated temperature conditions. Full article

(This article belongs to the Special Issue Characterization and Mechanical Properties of Alloys)

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