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

Deadline for manuscript submissions: closed (20 February 2025) | Viewed by 15727

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Dr. Pradeep Menezes

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Department of Mechanical Engineering, University of Nevada Reno, Reno, NV 89557, USA
Interests: composite materials; material processing; surface engineering; electrochemical analysis; advanced material structurestribology; coatings; self-lubrication; additive manufacturing; tribo-corrosion; surface texturing
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Dr. Eunja Kim

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Department of Physics, University of Texas, El Paso, TX 79968, USA
Interests: computational materials research; materials for energy and device applications; atomistic modeling and simulations; structure-property relationship: smart lubricants; semiconductors; super hard materials; ceramics; nature materials; energy storage and conversion; carbon nanostructures; cladding material

Merbin John

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Guest Editor Assistant

Department of Mechanical Engineering, University of Nevada, Reno, NV 89557, USA
Interests: surface modification techniques; nanocrystalline materials; PEO coatings; solid lubricants; self-lubricating composites; advanced manufacturing; corrosion

Special Issue Information

Dear Colleagues,

We are excited to announce the Special Issue entitled “Advanced Materials: Process, Properties, and Applications.”

This Special Issue will underline the use of advanced materials in different applications such as in the aerospace, automotive, nuclear, and chemical industries.

We welcome review and experimental articles related to various advanced materials from research groups worldwide to encourage the dissemination of scientific knowledge through this open-access journal. It is our pleasure to invite the submission of manuscripts for this Special Issue.

Some of the proposed topics of this Special Issue include:

Cermet;
High-entropy alloys;
Functionally grade materials;
Advanced high-strength steels;
Nanomaterials and nanocomposites;
Self-lubricating materials;
MAX phase materials, MXenes.

Dr. Pradeep Menezes
Dr. Eunja Kim
Guest Editors

Merbin John
Guest Editor Assistant

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

cermet
high-entropy alloys
functional-grade materials
advanced high-strength steels
nanomaterials and nanocomposites
self-lubricating materials
MAX phase materials, MXenes
additive manufacturing
microstructural characterization
mechanical properties
computational modeling and simulations

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Further information on MDPI's Special Issue policies can be found here.

Related Special Issue

Advanced Materials: Process, Properties, and Applications—Second Edition in Materials

Published Papers (11 papers)

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Research

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22 pages, 6314 KiB

Open AccessArticle

Design and Optimization of W-Mo-V High-Speed Steel Roll Material and Its Heat-Treatment-Process Parameters Based on Numerical Simulation

by Zhiting Zhu, Mingyu Duan, Hao Pi, Zhuo Li, Jibing Chen and Yiping Wu

Materials 2025, 18(1), 34; https://doi.org/10.3390/ma18010034 - 25 Dec 2024

Viewed by 665

Abstract

W-Mo-V high-speed steel (HSS) is a high-alloy high-carbon steel with a high content of carbon, tungsten, chromium, molybdenum, and vanadium components. This type of high-speed steel has excellent red hardness, wear resistance, and corrosion resistance. In this study, the alloying element ratios were adjusted based on commercial HSS powders. The resulting chemical composition (wt.%) is C 1.9%, W 5.5%, Mo 5.0%, V 5.5%, Cr 4.5%, Si 0.7%, Mn 0.55%, Nb 0.5%, B 0.2%, N 0.06%, and the rest is Fe. This design is distinguished by the inclusion of a high content of molybdenum, vanadium, and trace boron in high-speed steel. When compared to traditional tungsten-based high-speed steel rolls, the addition of these three types of elements effectively improves the wear resistance and red hardness of high-speed steel, thereby increasing the service life of high-speed steel mill-roll covers. JMatPro (version 7.0) simulation software was used to create the composition of W-Mo-V HSS. The phase composition diagrams at various temperatures were examined, as well as the contents of distinct phases within the organization at various temperatures. The influence of austenite content on the martensitic transformation temperature at different temperatures was estimated. The heat treatment parameters for W-Mo-V HSS were optimized. By studying the phase equilibrium of W-Mo-V high-speed steel at different temperatures and drawing CCT diagrams, the starting temperature for the transformation of pearlite to austenite (A_c1 = 796.91 °C) and the ending temperature for the complete dissolution of secondary carbides into austenite (A_ccm = 819.49 °C) during heating was determined. The changes in carbide content and grain size of W-Mo-V high-speed steel at different tempering temperatures were calculated using JMatPro software. Combined with analysis of A_c1 and A_ccm temperature points, it was found that the optimal annealing temperatures were 817–827 °C, quenching temperatures were 1150–1160 °C, and tempering temperatures were 550–610 °C. The scanning electron microscopy (SEM) examination of the samples obtained with the aforementioned heat treatment parameters revealed that the martensitic substrate and vanadium carbide grains were finely and evenly scattered, consistent with the simulation results. This suggests that the simulation is a useful reference for guiding actual production. Full article

(This article belongs to the Special Issue Advanced Materials: Process, Properties, and Applications)

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31 pages, 13872 KiB

Open AccessArticle

Hyperelastic and Stacked Ensemble-Driven Predictive Modeling of PEMFC Gaskets Under Thermal and Chemical Aging

by Su-Yeon Park, Akeem Bayo Kareem, Toyyeebah Ajibola Mustapha, Woo-Jeong Joo and Jang-Wook Hur

Materials 2024, 17(22), 5675; https://doi.org/10.3390/ma17225675 - 20 Nov 2024

Viewed by 1113

Abstract

This study comprehensively investigates the stress distribution and aging effects in Ethylene Propylene Diene Monomer (EPDM) and Liquid Silicone Rubber (LSR) gasket materials through a novel integration of hyperelastic modeling and advanced machine learning techniques. By employing the Mooney–Rivlin, Ogden, and Yeoh hyperelastic models, we evaluated the mechanical behavior of EPDM and LSR under conditions of no aging, heat aging, and combined heat- and sulfuric-acid exposure. Each model revealed distinct sensitivities to stress distribution and material deformation, with peak von Mises stress values indicating that LSR experiences higher internal stress than EPDM across all conditions. For instance, without aging, LSR shows a von Mises stress of 24.17 MPa compared to 14.96 MPa for EPDM, while under heat and sulfuric acid exposure, LSR still exhibits higher stress values, showcasing its resilience under extreme conditions. Additionally, the ensemble learning approach achieved a classification accuracy of 98% for LSR and 84% for EPDM in predicting aging effects, underscoring the robustness of our predictive framework. These findings offer practical implications for selecting suitable gasket materials and developing predictive maintenance strategies in industrial applications, such as fuel cells, where material integrity under stress and aging is paramount. Full article

(This article belongs to the Special Issue Advanced Materials: Process, Properties, and Applications)

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15 pages, 9727 KiB

Open AccessArticle

Effect of Annealing Time on Grain Structure Evolution and Superplastic Response of Al-Mg 5xxx Alloys

by Eric Kojo Kweitsu, Dilip Kumar Sarkar, Ahmed Y. Algendy, X.-Grant Chen, Jocelyn Veilleux and Nicolas Bombardier

Materials 2024, 17(22), 5492; https://doi.org/10.3390/ma17225492 - 11 Nov 2024

Viewed by 1332

Abstract

The impact of annealing on the recrystallized grain structure and superplastic behavior of two Al-Mg 5xxx alloys used for high-speed blow forming (HSBF) was studied. The results revealed that both alloys demonstrated rapid static recrystallization after only a few minutes of annealing at 520 °C, forming fine and equiaxed grain structures. After four min of annealing, Alloy 2 (Al-4.0Mg-1.18Mn) exhibited a higher fraction of small grains (<10 µm) compared to Alloy 1 (Al-4.5Mg-0.74Mn). Moreover, Alloy 2 displayed enhanced resistance to grain coarsening with increasing annealing times, which was attributed to its higher amount of Al₆(Mn,Fe) intermetallic particles and a higher number density of Mn dispersoids. Optimizing the annealing time can effectively develop a fine and stable grain structure in Al-Mg 5xxx alloys. During tensile deformation, Alloy 2 consistently showed higher ductility compared to Alloy 1 at low strain rates (170% vs. 138% at 0.001 s⁻¹ and 163% vs. 134% at 0.01 s⁻¹), whereas at a high strain rate of 1 s⁻¹, both alloys displayed comparable tensile elongation. The high superplastic response of Alloy 2 at low strain rates renders it a superior superplastic alloy for HSBF applications. Full article

(This article belongs to the Special Issue Advanced Materials: Process, Properties, and Applications)

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16 pages, 26995 KiB

Open AccessArticle

Directionally Oriented Reinforcements of Warp-Knitted Fabrics for Composite Preforms

by Katarzyna Pieklak

Materials 2024, 17(21), 5221; https://doi.org/10.3390/ma17215221 - 26 Oct 2024

Cited by 1 | Viewed by 940

Abstract

This paper focuses on the development of a methodology for the directional structural modification of warp-knitted fabrics by sewing on carbon fiber tapes. Four-, five-, and six-axial geometric systems were designed to optimize the qualitative distribution of stresses on the surface of the tested product. Through a numerical experiment in the ANSYS environment, the impact of the change in the axiality of a textile structure on the mechanical properties of the modeled geometric configuration was assessed. This analysis was experimentally verified by measuring the multiaxial force distribution on the knitted surface, which demonstrated that Variant 7, with six axes 30° apart, was the most favorable. Full article

(This article belongs to the Special Issue Advanced Materials: Process, Properties, and Applications)

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14 pages, 3940 KiB

Open AccessArticle

Cobalt–Imidazole Complexes: Effect of Anion Nature on Thermochemical Properties

by Olga V. Netskina, Dmitry A. Sukhorukov, Kirill A. Dmitruk, Svetlana A. Mukha, Igor P. Prosvirin, Alena A. Pochtar, Olga A. Bulavchenko, Alexander A. Paletsky, Andrey G. Shmakov, Alexey P. Suknev and Oxana V. Komova

Materials 2024, 17(12), 2911; https://doi.org/10.3390/ma17122911 - 14 Jun 2024

Cited by 1 | Viewed by 1156

Abstract

A solvent-free method was proposed for the synthesis of hexaimidazolecobalt(II) nitrate and perchlorate complexes—[Co(C₃H₄N₂)₆](NO₃)₂ and [Co(C₃H₄N₂)₆](ClO₄)₂—by adding cobalt salts to melted imidazole. The composition, charge state of the metal, and the structure of the resulting complexes were confirmed by elemental analysis, XPS, IR spectroscopy, and XRD. The study of the thermochemical properties of the synthesized complexes showed that [Co(C₃H₄N₂)₆](NO₃)₂ and [Co(C₃H₄N₂)₆](ClO₄)₂ are thermally stable up to 150 and 170 °C, respectively. When the critical temperature of thermal decomposition is reached, oxidative two-stage gasification is observed. In this case, the organic component of the [Co(C₃H₄N₂)₆](NO₃)₂ complex undergoes almost complete gasification to form Co₃O₄ with a slight admixture of CoO, which makes it attractive as a component of gas-generation compositions, like airbags. Full article

(This article belongs to the Special Issue Advanced Materials: Process, Properties, and Applications)

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27 pages, 18429 KiB

Open AccessArticle

Enhancing Tribological Performance of Self-Lubricating Composite via Hybrid 3D Printing and In Situ Spraying

by Alessandro M. Ralls, Zachary Monette, Ashish K. Kasar and Pradeep L. Menezes

Materials 2024, 17(11), 2601; https://doi.org/10.3390/ma17112601 - 28 May 2024

Cited by 1 | Viewed by 1236

Abstract

In this work, a self-lubricating composite was manufactured using a novel hybrid 3D printing/in situ spraying process that involved the printing of an acrylonitrile butadiene styrene (ABS) matrix using fused deposition modeling (FDM), along with the in situ spraying of alumina (Al₂O₃) and hexagonal boron nitride (hBN) reinforcements during 3D printing. The results revealed that the addition of the reinforcement induced an extensive formation of micropores throughout the ABS structure. Under tensile-loading conditions, the mechanical strength and cohesive interlayer bonding of the composites were diminished due to the presence of these micropores. However, under tribological conditions, the presence of the Al₂O₃ and hBN reinforcement improved the frictional resistance of ABS in extreme loading conditions. This improvement in frictional resistance was attributed to the ability of the Al₂O₃ reinforcement to support the external tribo-load and the shearing-like ability of hBN reinforcement during sliding. Collectively, this work provides novel insights into the possibility of designing tribologically robust ABS components through the addition of in situ-sprayed ceramic and solid-lubricant reinforcements. Full article

(This article belongs to the Special Issue Advanced Materials: Process, Properties, and Applications)

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12 pages, 3435 KiB

Open AccessArticle

Effect of Cold-Rolling Deformation on the Microstructural and Mechanical Properties of a Biocompatible Ti-Nb-Zr-Ta-Sn-Fe Alloy

by Vasile Dănuț Cojocaru, Alexandru Dan, Nicolae Șerban, Elisabeta Mirela Cojocaru, Nicoleta Zărnescu-Ivan and Bogdan Mihai Gălbinașu

Materials 2024, 17(10), 2312; https://doi.org/10.3390/ma17102312 - 14 May 2024

Cited by 2 | Viewed by 1281

Abstract

The primary focus of the current paper centers on the microstructures and mechanical properties exhibited by a Ti-30Nb-12Zr-5Ta-2Sn-1.25Fe (wt. %) (TNZTSF) alloy that has been produced through an intricate synthesis process comprising cold-crucible induction in levitation, carried out in an atmosphere controlled by argon, and cold-rolling deformation (CR), applying systematic adjustments in the total deformation degree (total applied thickness reduction), spanning from 10% to 60%. The microstructural characteristics of the processed specimens were investigated by SEM and XRD techniques, and the mechanical properties by tensile and microhardness testing. The collected data indicate that the TNZTSF alloy’s microstructure, in the as-received condition, consists of a β-Ti phase, which shows polyhedral equiaxed grains with an average grain size close to 82.5 µm. During the cold-deformation processing, the microstructure accommodates the increased applied deformation degree by increasing crystal defects such as sub-grain boundaries, dislocation cells, dislocation lines, and other crystal defects, powerfully affecting the morphological characteristics. The as-received TNZTSF alloy showed both high strength (i.e., ultimate tensile strength close to σ_UTS = 705.6 MPa) and high ductility (i.e., elongation to fracture close to ε_f = 11.1%) properties, and the computed β-Ti phase had the lattice parameter a = 3.304(7) Å and the average lattice microstrain ε = 0.101(3)%, which are drastically influenced by the applied cold deformation, increasing the strength properties and decreasing the ductility properties due to the increased crystal defects density. Applying a deformation degree close to 60% leads to an ultimate tensile strength close to σ_UTS = 1192.1 MPa, an elongation to fracture close to ε_f = 7.9%, and an elastic modulus close to 54.9 GPa, while the computed β-Ti phase lattice parameter becomes a = 3.302(1) Å. Full article

(This article belongs to the Special Issue Advanced Materials: Process, Properties, and Applications)

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16 pages, 51830 KiB

Open AccessArticle

Optimizing Structural and Mechanical Properties of an Industrial Ti-6246 Alloy below β-Transus Transition Temperature through Thermomechanical Processing

by Mohammed Hayder Ismail Alluaibi, Irina Varvara Balkan, Nicolae Șerban, Ion Cinca, Mariana Lucia Angelescu, Elisabeta Mirela Cojocaru, Saleh Sabah Alturaihi and Vasile Dănuț Cojocaru

Materials 2024, 17(5), 1145; https://doi.org/10.3390/ma17051145 - 1 Mar 2024

Cited by 3 | Viewed by 1664

Abstract

This study aims to investigate the effect of hot deformation on commercially available Ti-6246 alloy below its β-transus transition temperature at 900 °C, knowing that the α → β transition temperature of Ti-6246 alloy is about 935 °C. The study systematically applies a thermomechanical processing cycle, including hot rolling at 900 °C and solution and ageing treatments at various temperatures, to investigate microstructural and mechanical alterations. The solution treatments are performed at temperatures of 800 °C, 900 °C and 1000 °C, i.e., below and above the β-transus transition temperature, for 9 min, followed by oil quenching. The ageing treatment is performed at 600 °C for 6 h, followed by air quenching. Employing various techniques, such as X-ray diffraction, scanning electron microscopy, optical microscopy, tensile strength and microhardness testing, the research identifies crucial changes in the alloy’s constituent phases and morphology during thermomechanical processing. In solution treatment conditions, it was found that at temperatures of 800 °C and 900 °C, the α′-Ti martensite phase was generated in the primary α-Ti phase according to Burger’s relation, but the recrystallization process was preferred at a temperature of 900 °C, while at a temperature of 1000 °C, the α″-Ti martensite phase was generated in the primary β-Ti phase according to Burger’s relation. The ageing treatment conditions cause the α′-Ti/α″-Ti martensite phases to revert to their α-Ti/β-Ti primary phases. The mechanical properties, in terms of strength and ductility, underwent an important beneficial evolution when applying solution treatment, followed by ageing treatment, which provided an optimal mixture of strength and ductility. This paper provides engineers with the opportunity to understand the mechanical performance of Ti-6246 alloy under applied stresses and to improve its applications by designing highly efficient components, particularly military engine components, ultimately contributing to advances in technology and materials science. Full article

(This article belongs to the Special Issue Advanced Materials: Process, Properties, and Applications)

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12 pages, 1999 KiB

Open AccessArticle

MnPc Films Deposited by Ultrasonic Spray Pyrolysis at Low Temperatures: Optical, Morphological and Structural Properties

by Anayantzi Luna Zempoalteca, José Álvaro David Hernández de la Luz, Adan Luna Flores, José Alberto Luna López and Alfredo Benítez Lara

Materials 2023, 16(12), 4357; https://doi.org/10.3390/ma16124357 - 13 Jun 2023

Cited by 6 | Viewed by 1500

Abstract

In this work, we report how manganese phthalocyanine (MnPc) films obtained using the ultrasonic spray–pyrolysis technique at 40 °C deposited on glass substrate subjected to thermal annealing at 100 °C and 120 °C. The MnPc films were characterized using UV/Vis spectroscopy, Raman spectroscopy, X-Ray Diffraction (XRD), and Scanning Electron Microscopy (SEM). The absorption spectra of the MnPc films were studied in a wavelength range from 200 to 850 nm, where the characteristic bands of a metallic phthalocyanine known as B and Q bands were observed in this range of the spectrum. The optical energy band (Eg) was calculated using the Tauc equation. It was found that, for these MnPc films, the Eg has the values of 4.41, 4.46, and 3.58 eV corresponded to when they were deposited, annealing at 100 °C and 120 °C, respectively. The Raman spectra of the films showed the characteristic vibrational modes of the MnPc films. In the X-Ray diffractograms of these films, the characteristic diffraction peaks of a metallic phthalocyanine are observed, presenting a monoclinic phase. The SEM images of these films were studied in a cross-section obtaining thicknesses of 2 μm for the deposited film and 1.2 μm and 0.3 μm for the annealed films at 100 °C and 120 °C. Additionally, in the SEM images of these films, average particle sizes ranging from 4 to 0.041 µm were obtained. The results agree with those reported in the literature for MnPc films deposited by performing other techniques. Full article

(This article belongs to the Special Issue Advanced Materials: Process, Properties, and Applications)

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Review

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20 pages, 76562 KiB

Open AccessReview

Atmosphere Effects in Laser Powder Bed Fusion: A Review

by Ben Brown, Cody Lough, Davis Wilson, Joseph Newkirk and Frank Liou

Materials 2024, 17(22), 5549; https://doi.org/10.3390/ma17225549 - 13 Nov 2024

Viewed by 1269

Abstract

The use of components fabricated by laser powder bed fusion (LPBF) requires the development of processing parameters that can produce high-quality material. Manipulating the most commonly identified critical build parameters (e.g., laser power, laser scan speed, and layer thickness) on LPBF equipment can generate acceptable parts for established materials and moderately intricate part geometries. The need to fabricate increasingly complex parts from unique materials drives the limited research into LPBF process control using underutilized parameters, such as atmosphere composition and pressure. As presented in this review, manipulating atmosphere composition and pressure in laser beam welding has been shown to expand processing windows and produce higher-quality welds. The similarities between laser beam welding and laser-based AM processes suggest that this atmosphere control research could be effectively adapted for LPBF, an area that has not been widely explored. Tailoring this research for LPBF has significant potential to reveal novel processing regimes. This review presents the current state of the art in atmosphere research for laser beam welding and LPBF, with a focus on studies exploring cover gas composition and pressure, and concludes with an outlook on future LPBF atmosphere control systems. Full article

(This article belongs to the Special Issue Advanced Materials: Process, Properties, and Applications)

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29 pages, 17762 KiB

Open AccessReview

A Comprehensive Review on Finite Element Analysis of Laser Shock Peening

by Mayur B. Wakchaure, Manoranjan Misra and Pradeep L. Menezes

Materials 2024, 17(17), 4174; https://doi.org/10.3390/ma17174174 - 23 Aug 2024

Cited by 4 | Viewed by 2055

Abstract

Laser shock peening (LSP) is a formidable cold working surface treatment that provides high-energy precision to enhance the mechanical properties of materials. This paper delves into the intricacies of the LSP process, offering insights into its methodology and the simulation thereof through the finite element method. This review critically examines various points, such as laser energy, overlapping of shots, effect of LSP on residual stress, effect of LSP on grain refinement, and algorithms for simulation extrapolated from finite element analyses conducted by researchers, shedding light on the nuanced considerations integral to this technique. As the significance of LSP continues to grow, the collective findings underscore its potential as a transformative technology for fortifying materials against mechanical stress and improving their overall performance and longevity. The discourse encapsulates the evolving landscape of the LSP, emphasizing the pivotal role played by finite element analysis in advancing our understanding and application of this innovative surface treatment. Full article

(This article belongs to the Special Issue Advanced Materials: Process, Properties, and Applications)

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