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Special Issue "Crystallization of High Performance Metallic Materials"

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

Deadline for manuscript submissions: 20 November 2023 | Viewed by 4039

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Special Issue Editors

Dr. Wangzhong Mu

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Guest Editor

Department of Materials Science and Engineering, KTH Royal Institute of Technology, Brinellvägen 23, SE-10044 Stockholm, Sweden
Interests: sustainable metallurgy; microstructure and property correlation in engineering materials; material design for high-performance alloys; high-temperature process metallurgy
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Dr. Chao Chen

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Guest Editor

College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, China
Interests: process modeling; clean steel; inclusions; CFD; physical model; tundish; ladle refining; stainless steel
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Crystallization refers to the process by which a solid phase forms, where atoms or molecules are highly organized into a structure known as a crystal in the matrix. Crystallization of metallic materials normally refers to the solid form during the solidification as well as the subsequent phase transition. Several fundamental aspects considering thermodynamics and kinetics need to be considered for the crystallization mechanism. For the solidification process, a variety of different morphologies of crystalline can be observed, e.g., columnar and equiaxed crystals and dendrites. This solidification understanding can be applied to the casting process as an industrial crystallization. Subsequently, crystallization behaviors can also refer to microstructure evolution in solid-state materials, e.g., austenite decomposition in low-alloy steels. Nucleation and growth as well as interfacial phenomenon are the two scientific issues included in the crystallization process.

The current Special Issue emphasizes crystallization behaviors in high-performance metallic materials. Both solidification and solid-phase transformation are considered, and conventional construction materials, e.g., steels or high-temperature alloys, as well as novel alloy grades, e.g., high entropy alloys, are included. State-of-the-art characterization methods as well as simulation and modelling work regarding crystallization are included. Finally, particle behaviors associated with crystallization, i.e., non-metallic inclusion and precipitate behaviors during solidification and post-process in high-performance alloys are included. In addition, the crystallization behavior of slag and heat flux used for metals’ manufacturing is also included. Authors from academia and industry are therefore invited to submit their original research and review contributions on crystallization of high-performance metallic materials to the current Special Issue.

Dr. Wangzhong Mu
Dr. Chao Chen
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. 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 2000 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

solidification of steels and alloys
casting process
solid-phase transformation
high-performance metallic materials
in situ characterization
nucleation and growth in metals
inclusion/precipitate engineering in steels and alloys
slag and flux engineering
thermodynamics and kinetics of crystallization
process–structure–property correlation in alloys

Published Papers (6 papers)

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Research

Open AccessArticle

Microstructure, Mechanical Properties and Thermal Stability of Ni-Based Single Crystal Superalloys with Low Specific Weight

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Crystals 2023, 13(4), 610; https://doi.org/10.3390/cryst13040610 - 02 Apr 2023

Cited by 1 | Viewed by 577

Abstract

Ni-based single crystal (SX) superalloy with low specific weight is vital for developing aero engines with a high strength-to-weight ratio. Based on an alloy system with 3 wt.% Re but without W, namely Ni-Co-Cr-Mo-Ta-Re-Al-Ti, a specific weight below 8.4 g/cm³ has been achieved. To reveal the relationship among the composition, mechanical properties, and thermal stability of Ni-based SX superalloys, SXs with desirable microstructures are fabricated. Tensile tests revealed that the SX alloys have comparable strength to commercial second-generation SX CMSX-4 (3 wt.% Re and 6 wt.% W) and Rene′ N5 alloys (3 wt.% Re and 5 wt.% W) above 800 °C. Moreover, the elongation to fracture (EF) below 850 °C (>20%) is better than that of those two commercial SX superalloys. During thermal exposure at 1050 °C for up to 500 h, the topological close-packed (TCP) phase does not appear, indicating excellent phase stability. Decreasing Al concentration increases the resistance of γ′ rafting and replacing 1 wt.% Ti with 3 wt.% Ta is beneficial to the stability of the shape and size of γ′ phase during thermal exposure. The current work might provide scientific insights for developing Ni-based SX superalloys with low specific weight. Full article

(This article belongs to the Special Issue Crystallization of High Performance Metallic Materials)

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Open AccessArticle

The Effect of Interatomic Potentials on the Nature of Nanohole Propagation in Single-Crystal Nickel: A Molecular Dynamics Simulation Study

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Crystals 2023, 13(4), 585; https://doi.org/10.3390/cryst13040585 - 29 Mar 2023

Viewed by 429

Abstract

Based on a molecular dynamics (MD) simulation, we investigated the nanohole propagation behaviors of single-crystal nickel (Ni) under different styles of Ni–Ni interatomic potentials. The results show that the MEAM (the modified embedded atom method potential) potential is best suited to describe the brittle propagation behavior of nanoholes in single-crystal Ni. The EAM/FS (embedded atom method potential developed by Finnis and Sinclair) potential, meanwhile, is effective at characterizing the plastic growth behavior of nanoholes in single-crystal Ni. Furthermore, the results show the difference between the different styles of interatomic potentials in characterizing nanohole propagation in single-crystal Ni and provide a theoretical basis for the selection of interatomic potentials in the MD simulation of Ni crystals. Full article

(This article belongs to the Special Issue Crystallization of High Performance Metallic Materials)

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Open AccessArticle

High Temperature Deformation Behavior of Near-β Titanium Alloy Ti-3Al-6Cr-5V-5Mo at α + β and β Phase Fields

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Crystals 2023, 13(3), 371; https://doi.org/10.3390/cryst13030371 - 21 Feb 2023

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Abstract

Most near-β titanium alloy structural components should be plastically deformed at high temperatures. Inappropriate high-temperature deformed processes can lead to macro-defects and abnormally coarse grains. Ti-3Al-6Cr-5V-5Mo alloy is a near-β titanium alloy with the potential application. The available information on the high-temperature deformation behavior of the alloy is limited. To provide guidance for the actual hot working of the alloy, the flow stress behavior and processing map at α + β phase field and β phase field were studied, respectively. Based on the experimental data obtained from hot compressing simulations at the range of temperature from 700 °C to 820 °C and at the range of strain rate from 0.001 s⁻¹ to 10 s⁻¹, the constitutive models, as well as the processing map, were obtained. For the constitutive models at the α + β phase field and β phase field, the correlated coefficients between actual stress and predicted stress are 0.986 and 0.983, and the predictive mean relative errors are 2.7% and 4.1%. The verification of constitutive models demonstrates that constitutive equations can predict flow stress well. An instability region in the range of temperature from 700 °C to 780 °C and the range of strain rates from 0.08 s⁻¹ to 10 s⁻¹, as well as a suitable region for thermomechanical processing in the range of temperature from 790 °C to 800 °C and the range of strain rates from 0.001 s⁻¹ to 0.007 s⁻¹, was predicted by the processing map and confirmed by the hot-deformed microstructural verification. After the deformation at 790 °C/0.001 s⁻¹, the maximum number of dynamic recrystallization grains and the minimum average grain size of 17 μm were obtained, which is consistent with the high power-dissipation coefficient region predicted by the processing map. Full article

(This article belongs to the Special Issue Crystallization of High Performance Metallic Materials)

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Open AccessArticle

Vacuum Electrodeposition of Cu(In, Ga)Se₂ Thin Films and Controlling the Ga Incorporation Route

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Crystals 2023, 13(2), 319; https://doi.org/10.3390/cryst13020319 - 15 Feb 2023

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Abstract

The traditional electrochemical deposition process used to prepare Cu(In, Ga)Se₂ (CIGS) thin films has inherent flaws, such as the tendency to produce low-conductivity Ga₂O₃ phase and internal defects. In this article, CIGS thin films were prepared under vacuum (3 kPa), and the mechanism of vacuum electrodeposition CIGS was illustrated. The route of Ga incorporation into the thin films could be controlled in a vacuum environment via inhibiting pH changes at the cathode region. Through the incorporation of a low-conductivity secondary phase, Ga₂O₃ was inhibited at 3 kPa, as shown by Raman and X-ray photoelectron spectroscopy. The preparation process used a higher current density and a lower diffusion impedance and charge transfer impedance. The films that were produced had larger particle sizes. Full article

(This article belongs to the Special Issue Crystallization of High Performance Metallic Materials)

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Open AccessArticle

Elastic Constitutive Relationship of Metallic Materials Containing Grain Shape

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Crystals 2022, 12(12), 1768; https://doi.org/10.3390/cryst12121768 - 05 Dec 2022

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Abstract

The grain shape and orientation distribution of metal sheets at mesoscales are usually irregular, which has an impact on the elastic properties of metal materials. A grain shape function (GSF) is constructed to represent the shape of grains. The expansion coefficient of GSF on the basis of the Wigner D function is called the shape coefficient. In this paper, we study the influence of average grain shape on the elastic constitutive relation of orthogonal polycrystalline materials, and obtain a new expression of the elastic constitutive relation of polycrystalline materials containing grain shape effects. The seven string method is proposed to fit the shape of irregular grains. Experiments show that the GSF can better describe the shape of irregular grains. Using the microscopic images of the grains, we carried out the experimental measurement of micro and macrostrain at grain scale. The experimental results show that the grain shape parameter (slenderness ratio) is consistent with the theoretical results of the material macroscopic mechanical properties. Full article

(This article belongs to the Special Issue Crystallization of High Performance Metallic Materials)

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Open AccessArticle

Electronic Structure and Optical Properties of Cu₂ZnSnS₄ under Stress Effect

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Crystals 2022, 12(10), 1454; https://doi.org/10.3390/cryst12101454 - 14 Oct 2022

Viewed by 629

Abstract

By using the pseudopotential plane-wave method of first principles based on density functional theory, the band structure, density of states and optical properties of Cu₂ZnSnS₄ under isotropic stress are calculated and analyzed. The results show that Cu₂ZnSnS₄ is a direct band gap semiconductor under isotropic stress, the lattice is tetragonal, and the band gap of Cu₂ZnSnS₄ is 0.16 eV at 0 GPa. Stretching the lattice causes the bottom of the conduction band of Cu₂ZnSnS₄ to move toward lower energies, while the top of the valence band remains unchanged and the band gap gradually narrows. Squeezing the lattice causes the bottom of the conduction band to move toward the high-energy direction, while the top of the valence band moves downward toward the low-energy direction, and the Cu₂ZnSnS₄ band gap becomes larger. The static permittivity, absorption coefficient, reflectivity, refractive index, electrical conductivity, and energy loss function all decrease when the lattice is stretched, and the above optical parameters increase when the lattice is compressed. When the lattice is stretched, the optical characteristic peaks such as the dielectric function shift to the lower-energy direction, while the optical characteristic peak position shifts to the higher-energy direction when the lattice is compressed. Full article

(This article belongs to the Special Issue Crystallization of High Performance Metallic Materials)

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