Journal Description
Materials
Materials
is an international peer-reviewed, open access journal on materials science and engineering published semimonthly online by MDPI. The Portuguese Materials Society (SPM), Spanish Materials Society (SOCIEMAT) and Manufacturing Engineering Society (MES) are affiliated with Materials and their members receive discounts on the article processing charges.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within Scopus, SCIE (Web of Science), PubMed, PMC, Ei Compendex, CaPlus / SciFinder, Inspec, Astrophysics Data System, and other databases.
- Journal Rank: JCR - Q2 (Metallurgy & Metallurgical Engineering) / CiteScore - Q2 (Condensed Matter Physics)
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 13.9 days after submission; acceptance to publication is undertaken in 2.7 days (median values for papers published in this journal in the second half of 2023).
- Recognition of Reviewers: reviewers who provide timely, thorough peer-review reports receive vouchers entitling them to a discount on the APC of their next publication in any MDPI journal, in appreciation of the work done.
- Testimonials: See what our editors and authors say about Materials.
- Companion journals for Materials include: Electronic Materials and Construction Materials.
Impact Factor:
3.4 (2022);
5-Year Impact Factor:
3.8 (2022)
Latest Articles
Biomaterials in Cancer Therapy: Investigating the Interaction between Kaempferol and Zinc Ions through Computational, Spectroscopic and Biological Analyses
Materials 2024, 17(11), 2526; https://doi.org/10.3390/ma17112526 (registering DOI) - 24 May 2024
Abstract
A complex of the natural flavonoid kaempferol with zinc (Kam-Zn) was synthesized, and its physicochemical properties were investigated using spectroscopic methods such as Fourier transform infrared spectroscopy (FT-IR), ultraviolet–visible (UV-Vis) spectroscopy and theoretical chemistry. Biological studies were conducted to evaluate the cytotoxic and
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A complex of the natural flavonoid kaempferol with zinc (Kam-Zn) was synthesized, and its physicochemical properties were investigated using spectroscopic methods such as Fourier transform infrared spectroscopy (FT-IR), ultraviolet–visible (UV-Vis) spectroscopy and theoretical chemistry. Biological studies were conducted to evaluate the cytotoxic and antiproliferative effects of these complexes on MCF-7 breast cancer cells. Treatment with Kam 100 µM (84.86 ± 7.79%; 64.37 ± 8.24%) and Kam-Zn 100 µM (91.87 ± 3.80%; 87.04 ± 13.0%) showed no significant difference in proliferation between 16 h and 32 h, with the gap width remaining stable. Both Kam-Zn 100 μM and 200 μM demonstrated effective antiproliferative and cytotoxic activity, significantly decreasing cell viability and causing cell death and morphology changes. Antioxidant assays revealed that Kam (IC50 = 5.63 ± 0.06) exhibited higher antioxidant potential compared to Kam-Zn (IC50 = 6.80 ± 0.075), suggesting that zinc coordination impacts the flavonoid’s radical scavenging activity by the coordination of metal ion to hydroxyl groups. Computational studies revealed significant modifications in the electronic structure and properties of Kam upon forming 1:1 complexes with Zn2+ ions. Spectroscopy analyses confirmed structural changes, highlighting shifts in absorption peaks and alterations in functional group vibrations indicative of metal–ligand interactions. FT-IR and UV-Vis spectra analysis suggested that Zn coordinates with the 3-OH and 4C=O groups of ligand. These findings suggest that the Kam-Zn complex exhibits interesting antiproliferative, cytotoxic and modified antioxidant effects on MCF-7 cells, providing valuable insights into their structural and anticancer properties.
Full article
(This article belongs to the Special Issue Advanced Biomaterials for Early Detection, Drug Delivery, Treatment and Prognosis in Cancer)
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Open AccessArticle
Effect of Rotary Swaging on Mechanical Behaviors of Axle Steel Rod
by
Tiantai Tian, Hongtu Xu, Huaibei Zheng, Wenbin Zhan, Yu Zhang, Haosong Zhu and Qi Zhang
Materials 2024, 17(11), 2525; https://doi.org/10.3390/ma17112525 (registering DOI) - 24 May 2024
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The short-chain forming process using rotary swaging (RS) is an important method of achieving the manufacturing of lightweight axles. Axle steel, like 42CrMo, is widely used in many types of axles and shafts; however, there is no existing research on rotary-swaged axle steel’s
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The short-chain forming process using rotary swaging (RS) is an important method of achieving the manufacturing of lightweight axles. Axle steel, like 42CrMo, is widely used in many types of axles and shafts; however, there is no existing research on rotary-swaged axle steel’s mechanical properties. It makes sense to carry out a comprehensive study on the effect of RS on the mechanical behaviors of axle steel rods. In this study, a 42CrMo steel rod was processed by RS through ten passes. The tensile properties, torsion properties, compression properties, and fatigue properties were tested. There was an overall improvement in the torsional and fatigue performance after RS. Combined with a finite element analysis (FEM), the uneven distribution of the dislocations and existence of the elongation material were inferred to have caused the different modes of the mechanical behaviors. Fracture surfaces were analyzed and the results showed that the fracture pattern had changed. There existed a competitive relation between the internal fatigue cracks and external cracks, which could be attributed to uneven strain hardening. This research proved the advantages of RS in the processing of axle parts, which mainly benefitted the torsional working conditions, and provided evidence for a new processing route for lightweight axles with RS.
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Open AccessArticle
Plastically Deformed Tubes Subjected to Mechanical Expansion Processes
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Zijian Zhao, Abdel-Hakim Bouzid and Nor Eddine Laghzale
Materials 2024, 17(11), 2524; https://doi.org/10.3390/ma17112524 (registering DOI) - 24 May 2024
Abstract
In engineering, the stress state of expanded tubes is crucial for ensuring structural integrity and preventing stress corrosion cracking. The analysis of stresses and strains in tubes subjected to mechanical expansion using an ogive bullet is essential, yet existing theoretical methods for estimating
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In engineering, the stress state of expanded tubes is crucial for ensuring structural integrity and preventing stress corrosion cracking. The analysis of stresses and strains in tubes subjected to mechanical expansion using an ogive bullet is essential, yet existing theoretical methods for estimating the stress distributions, especially with spherical and ogive shapes, are sparse. This study explores the expansion of 3/8 inch copper and stainless-steel tubes using an expanding bullet, where tangential and longitudinal strains are measured. A novel analytical approach is introduced to evaluate the stresses and strains, segmenting the tube into three zones, each analyzed with a distinct theory. Validation is achieved through an axisymmetric finite element model that employs a multi-linear kinematic hardening material behavior. The analytical model also estimates the expanding mandrel’s push force, which is then compared with the results from numerical simulations and experimental data, showing good agreement across methods.
Full article
(This article belongs to the Section Mechanics of Materials)
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Open AccessArticle
Defoaming and Toughening Effects of Highly Dispersed Graphene Oxide Modified by Amphoteric Polycarboxylate Superplasticizer on Oil Well Cement
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Min Zeng, Yubing Xing, Yongxu Xie, Dawei Xu, Xia Miao and Jintang Guo
Materials 2024, 17(11), 2523; https://doi.org/10.3390/ma17112523 (registering DOI) - 23 May 2024
Abstract
The aggregation of graphene oxide (GO) during the hydration process limits its wide application. Polymer superplasticizers have been used to improve the dispersion state of GO due to their adsorption and site-blocking effects, though the formation of a large amount of foam during
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The aggregation of graphene oxide (GO) during the hydration process limits its wide application. Polymer superplasticizers have been used to improve the dispersion state of GO due to their adsorption and site-blocking effects, though the formation of a large amount of foam during the mixing process weakens the mechanical properties of cement. A highly dispersed amphoteric polycarboxylate superplasticizer-stabilized graphene oxide (APC/GO) toughening agent was prepared by electrostatic self-assembly. Results demonstrate that the APC/GO composite dispersed well in a cement pore solution due to the steric effect offered by the APC. Additionally, the well-dispersed GO acted as an antifoaming agent in the cement since GO nanosheets can be absorbed at the air–liquid interface of APC foam via electrostatic interactions and eliminate the air-entraining effect. The well-dispersed APC/GO sheets promoted cement hydration and further refined its pore structure owing to the nucleation effect. The flexural and compressive strength of the cement containing the APC/GO composite were enhanced by 21.51% and 18.58%, respectively, after a 7-day hydration process compared with a blank sample. The improved hydration degree, highly polymerized C-S-H gel, and refined pore structure provided enhanced mechanical properties.
Full article
(This article belongs to the Special Issue Research on Properties of Polymers and Their Engineering Applications)
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Open AccessArticle
Volume Stability and Frost Resistance of High−Ductility Magnesium Phosphate Cementitious Concrete
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Lijuan Chai, Zhonghua Yue, Zhichun Chen, Gaoyu Fan and Liuye Wang
Materials 2024, 17(11), 2522; https://doi.org/10.3390/ma17112522 - 23 May 2024
Abstract
To address the issue of pavement cracking due to brittle concrete in road and bridge engineering, this study explores the use of high−ductility magnesium phosphate cementitious concrete (HD−MPCC) for rapid repairs. The deformation and frost properties of HD−MPCC are analyzed to assess its
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To address the issue of pavement cracking due to brittle concrete in road and bridge engineering, this study explores the use of high−ductility magnesium phosphate cementitious concrete (HD−MPCC) for rapid repairs. The deformation and frost properties of HD−MPCC are analyzed to assess its suitability for this application. Deformation properties were tested for HD−MPCC specimens cured in both air and water. Subsequent tests focused on the frost performance and mechanical properties after freeze–thaw cycles. A mercury penetration technique was utilized to examine the pore structure. The findings reveal that the expansion deformation of HD−MPCC increases with curing age in both air and water conditions, and the quantitative relationship between the expansion deformation and curing age of HD−MPCC was analyzed. Additionally, the freeze–thaw cycles led to a decrease in mass loss, the relative dynamic elastic modulus, the ultimate tensile strength, the ultimate tensile strain, the flexural strength, and the peak deflection. The volume fraction of harmless and less harmful pores gradually decreased as the freeze–thaw cycle increased, while the volume fraction of more harmful pores increased, resulting in a decrease in the strength, ultimate tensile strain, and peak deflection.
Full article
(This article belongs to the Special Issue Carbon-Based Nanomaterials-Engineered Cementitious Composites)
Open AccessArticle
Experimental and Numerical Investigation of the Use of Ultrasonic Waves to Assist Laser Welding
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Mohamad Salimi, Ahmed Teyeb, Evelyne El Masri, Samiul Hoque, Phil Carr, Wamadeva Balachandran and Tat-Hean Gan
Materials 2024, 17(11), 2521; https://doi.org/10.3390/ma17112521 - 23 May 2024
Abstract
This study evaluates the enhancement of laser welding using ultrasonic waves aimed at reorganising the intermetallic position in such a fashion that leads to increased mechanical properties of welds in battery pack assemblies for electric vehicles. The experiment employed 20 kHz and 40
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This study evaluates the enhancement of laser welding using ultrasonic waves aimed at reorganising the intermetallic position in such a fashion that leads to increased mechanical properties of welds in battery pack assemblies for electric vehicles. The experiment employed 20 kHz and 40 kHz High-Power Ultrasound Transducers (HPUTs) in both contact and contactless modes. A simplified experimental configuration is suggested to represent conditions similar to those found in electric vehicle battery pack assemblies. Measurements of vibration transmission to aluminium alloy 1050 plates revealed more than a 1000-fold increase in acceleration amplitude in contact mode compared to contactless mode. The 20 kHz transducer in contactless mode demonstrated superior performance, showing a 10% increase in load and 27% increase in extension compared to welding without ultrasonic assistance. On the other hand, the 40 kHz transducer, while still improved over non-ultrasonic methods, showed less pronounced benefits. This suggests that lower-frequency ultrasonic assistance (20 kHz) is more effective in this specific context. The study explores ultrasonic assistance in laser welding copper (Cu101) to aluminium alloy 1050 using 20 kHz and 40 kHz HPUTs, showing that both transducers enhance microstructural integrity by reducing copper homogenisation into aluminium, with the 20 kHz frequency proving more effective in this context. A numerical simulation was conducted to evaluate the transmission of pressure into the molten pool of the weld, correlated with the vibration results obtained from the 20 kHz transducer. The numerical simulation confirms that no cavitation is initiated in the molten pool area, and all improvements are solely due to the ultrasonic waves.
Full article
(This article belongs to the Special Issue Ultrasound for Material Characterization and Processing III)
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Open AccessArticle
Fitting of Different Intraradicular Composite Posts to Oval Tooth Root Canals: A Preliminary Assessment
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Valter Fernandes, Rita Fidalgo-Pereira, Jane Edwards, Filipe Silva, Mutlu Özcan, Óscar Carvalho and Júlio C. M. Souza
Materials 2024, 17(11), 2520; https://doi.org/10.3390/ma17112520 - 23 May 2024
Abstract
The purpose of the present study was to perform a preliminary analysis of the fitting of different fiber-reinforced composite (GFRC) posts to tooth root canals and determine the resin cement layer thickness. The following GFRC posts were assessed: bundle posts (Rebilda GTTM
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The purpose of the present study was to perform a preliminary analysis of the fitting of different fiber-reinforced composite (GFRC) posts to tooth root canals and determine the resin cement layer thickness. The following GFRC posts were assessed: bundle posts (Rebilda GTTM, VOCO, Germany), sleeve system (SAPTM, Angelus Ind, Brazil), and accessory posts (ReforpinTM, Angelus, Brazil). Twenty-four freshly extracted mandibular single-rooted pre-molars were endodontically treated and divided into six groups, according to the type of GFRC post and resin cement (self-adhesive or conventional dual-cured). Then, specimens were cross-sectioned and inspected by optical microscopy regarding the cement layer thickness and presence of defects such as pores, voids, or fissures were assessed. Bundle and accessory posts revealed a regular distribution of resin cement with a lower number of voids than found with sleeve systems. The sleeve system posts showed poor fitting at the apical portion of the root canals. The type of resin cement did not affect the thickness of the interface, although both bundle and accessory posts allow a better distribution of resin cement and fibers. The present preliminary study reveals interesting insights on the fitting of bundle and accessory posts to root dentin and resin cement layer thickness in oval-shape root canals. The sleeve system posts showed adequate fitting only at the coronal portion of the canals.
Full article
(This article belongs to the Special Issue The Biomechanics and Mechanics of Biomedical Materials)
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Facile Preparation of High-Performance Reduced Graphene Oxide (RGO)/Copper (Cu) Composites Based on Pyrolysis of Copper Formate
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Zhendong Shi, Qingwen Yun, Tong Zhang, Changsheng Xing, Jie Li, Yunzhong Wu and Lidong Wang
Materials 2024, 17(11), 2519; https://doi.org/10.3390/ma17112519 - 23 May 2024
Abstract
Graphene has attracted much interest in many scientific fields because of its high specific surface area, Young’s modulus, fracture strength, carrier mobility and thermal conductivity. In particular, the graphene oxide (GO) prepared by chemical exfoliation of graphite has achieved low-cost and large-scale production
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Graphene has attracted much interest in many scientific fields because of its high specific surface area, Young’s modulus, fracture strength, carrier mobility and thermal conductivity. In particular, the graphene oxide (GO) prepared by chemical exfoliation of graphite has achieved low-cost and large-scale production and is one of the most promising for Cu matrix composites. Here, we prepared a high strength, high electrical conductivity and high thermal conductivity reduced graphene oxide (RGO)/Cu composite by directly heating the GO/copper formate. The oxygen-containing functional groups and defects of RGO are significantly reduced compared with those of GO. The tensile yield strength and thermal conductivity of RGO/Cu composite with RGO volume fraction of 0.49 vol.% are as high as 553 MPa and 364 W/(m·K) at room temperature, respectively. The theoretical value of the tensile yield strength of the composite is calculated according to the strengthening mechanism, and the result shows that it agrees with the experimental value. After hot-rolling treatment, the ductility and conductivity of the composite materials have been greatly improved, and the ductility of the RGO/Cu composite with RGO volume fraction of 0.49 vol.% has been increased to four times the original. This work provides a highly efficient way to fabricate a high-performance RGO-reinforced Cu composite for commercial application.
Full article
(This article belongs to the Section Advanced Composites)
Open AccessArticle
Research on Evolution of Relevant Defects in Heavily Mg-Doped GaN by H Ion Implantation Followed by Thermal Annealing
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Zonglin Jiang, Dan Yan, Ning Zhang, Junxi Wang and Xuecheng Wei
Materials 2024, 17(11), 2518; https://doi.org/10.3390/ma17112518 - 23 May 2024
Abstract
This study focuses on the heavily Mg-doped GaN in which the passivation effect of hydrogen and the compensation effect of nitrogen vacancies (VN) impede its further development. To investigate those two factors, H ion implantation followed by thermal annealing was performed
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This study focuses on the heavily Mg-doped GaN in which the passivation effect of hydrogen and the compensation effect of nitrogen vacancies (VN) impede its further development. To investigate those two factors, H ion implantation followed by thermal annealing was performed on the material. The evolution of relevant defects (H and VN) was revealed, and their distinct behaviors during thermal annealing were compared between different atmospheres (N2/NH3). The concentration of H and its associated yellow luminescence (YL) band intensity decrease as the thermal annealing temperature rises, regardless of the atmosphere being N2 or NH3. However, during thermal annealing in NH3, the decrease in H concentration is notably faster compared to N2. Furthermore, a distinct trend is observed in the behavior of the blue luminescence (BL) band under N2 and NH3. Through a comprehensive analysis of surface properties, we deduce that the decomposition of NH3 during thermal annealing not only promotes the out-diffusion of H ions from the material, but also facilitates the repair of VN on the surface of heavily Mg-doped GaN. This research could provide crucial insights into the post-growth process of heavily Mg-doped GaN.
Full article
(This article belongs to the Section Electronic Materials)
Open AccessArticle
Numerical Study on Mechanical Behavior and Electromechanical Properties of Solder-Jointed REBCO-Coated Conductors
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Tianfa Liao, Wenyuan Wang, Zhiming Chen and Mingzhi Guan
Materials 2024, 17(11), 2517; https://doi.org/10.3390/ma17112517 - 23 May 2024
Abstract
As the second-generation high-temperature superconducting conductors, rare earth–barium–copper–oxide (REBCO) coated conductor (CC) tapes have good potential as high-field and high-energy superconductors. In superconducting applications, several joints are required for conjugating comparatively short REBCO CC tapes. Soldering lap joints are the simplest and most
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As the second-generation high-temperature superconducting conductors, rare earth–barium–copper–oxide (REBCO) coated conductor (CC) tapes have good potential as high-field and high-energy superconductors. In superconducting applications, several joints are required for conjugating comparatively short REBCO CC tapes. Soldering lap joints are the simplest and most commonly applied REBCO CC joints. In addition to joint resistance, the mechanical behavior and electromechanical properties are also crucial for superconducting applications. In this paper, the electromechanical properties and mechanical behaviors of soldering lap joints at 77 K under a self-field were studied. The mechanical behavior was addressed by using a full three-dimensional multilayer elastic–plastic finite element model (FEM) with REBCO CC tape main layers and solder connecting layers. Then, the electromechanical properties were analyzed by using Gao’s strain-Ic degradation general model on the basis of the FEM results. Both the mechanical behavior and electromechanical properties were verified by experimental results. The effects of soldering lap conditions including lap length, soldering thickness and lap style on the electromechanical properties and mechanical behaviors were discussed. The results indicate that shorter overlap lengths and a thinner solder can reduce the premature degradation of Ic due to stress concentrations nearby the joint edges; moreover, the irreversible critical strain is significantly higher in the back-to-back joint approach compared to the widely used face-to-face joint approach.
Full article
(This article belongs to the Special Issue Advanced Superconducting Materials: Design, Properties and Applications)
Open AccessArticle
Improving Sag Resistance in Geopolymer Coatings Using Diatomite Filler: Effects on Rheological Properties and Early Hydration
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Yuan Hu, Zuquan Jin, Bo Pang, Zhantao Du, Xiangxiang Li and Yuxin Huang
Materials 2024, 17(11), 2516; https://doi.org/10.3390/ma17112516 - 23 May 2024
Abstract
The reduction in the rheological parameters and dissolution rate of precursors in geopolymer coatings during early hydration significantly contributes to sagging. This study aims to improve the sag resistance of these coatings by incorporating diatomite filler. Rheological testing was conducted to assess the
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The reduction in the rheological parameters and dissolution rate of precursors in geopolymer coatings during early hydration significantly contributes to sagging. This study aims to improve the sag resistance of these coatings by incorporating diatomite filler. Rheological testing was conducted to assess the impact of diatomite and its concentration on the yield stress, plastic viscosity, and thixotropy of the geopolymer coatings. The results indicated that diatomite’s large specific surface area and high reactivity have a significant influence on the rheological parameters and early dissolution rate of precursors. With a diatomite concentration of 1.1%, the coating exhibited a yield stress of 2.749 Pa and a plastic viscosity of 0.921 Pa·s, maintaining stability, homogeneity, and no sagging at a thickness of 600 μm. Furthermore, the highly active SiO2 in diatomite participates in the secondary hydration reaction of the geopolymer materials led to the formation of substantial C-(A)-S-H gel. This gel enhances internal interconnectivity within the coating, thereby improving its rheological and mechanical properties.
Full article
(This article belongs to the Section Construction and Building Materials)
Open AccessArticle
Green Synthesis of Iron Nanoparticles Using an Aqueous Extract of Strawberry (Fragaria × ananassa Duchesne) Leaf Waste
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Małgorzata Góral-Kowalczyk, Elżbieta Grządka, Jolanta Orzeł, Dariusz Góral, Tomasz Skrzypek, Zbigniew Kobus and Agnieszka Nawrocka
Materials 2024, 17(11), 2515; https://doi.org/10.3390/ma17112515 - 23 May 2024
Abstract
In this study, we analysed the potential use of dried strawberry leaves and calyces for the production of nanoparticles using inorganic iron compounds. We used the following iron precursors FeCl3 × 6H2O, FeCl2 × 4H2O, Fe(NO3
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In this study, we analysed the potential use of dried strawberry leaves and calyces for the production of nanoparticles using inorganic iron compounds. We used the following iron precursors FeCl3 × 6H2O, FeCl2 × 4H2O, Fe(NO3)3 × 9H2O, Fe2(SO4)3 × H2O, FeSO4 × 7H2O, FeCl3 anhydrous. It was discovered that the content of polyphenols and flavonoids in dried strawberries and their antioxidant activity in DPPH and FRAP were 346.81 µM TE/1 g and 331.71 µM TE/1 g, respectively, and were similar to these of green tea extracts. Microimages made using TEM techniques allowed for the isolation of a few nanoparticles with dimensions ranging from tens of nanometres to several micrometres. The value of the electrokinetic potential in all samples was negative and ranged from −21,300 mV to −11,183 mV. XRF analyses confirmed the presence of iron ranging from 0.13% to 0.92% in the samples with a concentration of 0.01 mol/dm3. FT-IR spectra analyses showed bands characteristic of nanoparticles. In calorimetric measurements, no increase in temperature was observed in any of the tests during exposure to the electromagnetic field. In summary, using the extract from dried strawberry leaves and calyxes as a reagent, we can obtain iron nanoparticles with sizes dependent on the concentration of the precursor.
Full article
(This article belongs to the Special Issue New Insights into Metal/Metal Oxide Nanoparticles and Nanocomposites: Synthesis, Properties and Applications)
Open AccessArticle
Effect of Thermal Activation on the Structure and Electrochemical Properties of Carbon Material Obtained from Walnut Shells
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Nataliia Ivanichok, Pavlo Kolkovskyi, Oleh Ivanichok, Volodymyr Kotsyubynsky, Volodymyra Boychuk, Bogdan Rachiy, Michał Bembenek, Łukasz Warguła, Rashad Abaszade and Liubomyr Ropyak
Materials 2024, 17(11), 2514; https://doi.org/10.3390/ma17112514 - 23 May 2024
Abstract
A simple activation method has been used to obtain porous carbon material from walnut shells. The effect of the activation duration at 400 °C in an atmosphere with limited air access on the structural, morphological, and electrochemical properties of the porous carbon material
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A simple activation method has been used to obtain porous carbon material from walnut shells. The effect of the activation duration at 400 °C in an atmosphere with limited air access on the structural, morphological, and electrochemical properties of the porous carbon material obtained from walnut shells has been studied. Moreover, the structure and morphology of the original and activated carbon samples have been characterized by SAXS, low-temperature adsorption porosimetry, SEM, and Raman spectroscopy. Therefore, the results indicate that increasing the duration of activation at a constant temperature results in a reduction in the thickness values of interplanar spacing (d002) in a range of 0.38–0.36 nm and lateral dimensions of the graphite crystallite from 3.79 to 2.52 nm. It has been demonstrated that thermal activation allows for an approximate doubling of the specific SBET surface area of the original carbon material and contributes to the development of its mesoporous structure, with a relative mesopore content of approximately 75–78% and an average pore diameter of about 5 nm. The fractal dimension of the obtained carbon materials was calculated using the Frenkel–Halsey–Hill method; it shows that its values for thermally activated samples (2.52, 2.69) are significantly higher than for the original sample (2.17). Thus, the porous carbon materials obtained were used to fabricate electrodes for electrochemical capacitors. Electrochemical investigations of these cells in a 6 M KOH aqueous electrolyte were conducted by cyclic voltammetry, galvanostatic charge/discharge, and impedance spectroscopy. Consequently, it was established that the carbon material activated at 400 °C for 2 h exhibits a specific capacity of approximately 110–130 F/g at a discharge current density ranging from 4 to 100 mA/g.
Full article
(This article belongs to the Special Issue Progress in Carbon-Based Materials)
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A Smart, Data-Driven Approach to Qualify Additively Manufactured Steel Samples for Print-Parameter-Based Imperfections
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Suresh Alaparthi, Sharath P. Subadra and Shahram Sheikhi
Materials 2024, 17(11), 2513; https://doi.org/10.3390/ma17112513 - 23 May 2024
Abstract
With additive manufacturing (AM) processes such as Wire Arc Additive Manufacturing (WAAM), components with complex shapes or with functional properties can be produced, with advantages in the areas of resource conservation, lightweight construction, and load-optimized production. However, proving component quality is a challenge
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With additive manufacturing (AM) processes such as Wire Arc Additive Manufacturing (WAAM), components with complex shapes or with functional properties can be produced, with advantages in the areas of resource conservation, lightweight construction, and load-optimized production. However, proving component quality is a challenge because it is not possible to produce 100% defect-free components. In addition to this, statistically determined fluctuations in the wire quality, gas flow, and their interaction with process parameters result in a quality of the components that is not 100% reproducible. Complex testing procedures are therefore required to demonstrate the quality of the components, which are not cost-effective and lead to less efficiency. As part of the project “3DPrintFEM”, a sound emission analysis is used to evaluate the quality of AM components. Within the scope of the project, an approach was being developed to determine the quality of an AM part dependent not necessarily on its geometry. Samples were produced from WAAM, which were later cut and milled to precision. To determine the frequencies, the samples were put through a resonant frequency test (RFM). The unwanted modes were then removed from the spectrum produced by the experiments by comparing it with FEM simulations. Later, defects were introduced in experimental samples in compliance with the ISO 5817 guidelines. In order to create a database of frequencies related to the degree of the sample defect, they were subjected to RFM. The database was further augmented through frequencies from simulations performed on samples with similar geometries, and, hence, a training set was generated for an algorithm. A machine-learning algorithm based on regression modelling was trained based on the database to sort samples according to the degree of flaws in them. The algorithm’s detectability was evaluated using samples that had a known level of flaws which forms the test dataset. Based on the outcome, the algorithm will be integrated into an equipment developed in-house to monitor the quality of samples produced, thereby having an in-house quality assessment routine. The equipment shall be less expensive than conventional acoustic equipment, thus helping the industry cut costs when validating the quality of their components.
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(This article belongs to the Section Materials Simulation and Design)
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Open AccessReview
Merits and Demerits of Machine Learning of Ferroelectric, Flexoelectric, and Electrolytic Properties of Ceramic Materials
by
Kyuichi Yasui
Materials 2024, 17(11), 2512; https://doi.org/10.3390/ma17112512 - 23 May 2024
Abstract
In the present review, the merits and demerits of machine learning (ML) in materials science are discussed, compared with first principles calculations (PDE (partial differential equations) model) and physical or phenomenological ODE (ordinary differential equations) model calculations. ML is basically a fitting procedure
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In the present review, the merits and demerits of machine learning (ML) in materials science are discussed, compared with first principles calculations (PDE (partial differential equations) model) and physical or phenomenological ODE (ordinary differential equations) model calculations. ML is basically a fitting procedure of pre-existing (experimental) data as a function of various factors called descriptors. If excellent descriptors can be selected and the training data contain negligible error, the predictive power of a ML model is relatively high. However, it is currently very difficult for a ML model to predict experimental results beyond the parameter space of the training experimental data. For example, it is pointed out that all-dislocation-ceramics, which could be a new type of solid electrolyte filled with appropriate dislocations for high ionic conductivity without dendrite formation, could not be predicted by ML. The merits and demerits of first principles calculations and physical or phenomenological ODE model calculations are also discussed with some examples of the flexoelectric effect, dielectric constant, and ionic conductivity in solid electrolytes.
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Open AccessReview
Printing and Coating Techniques for Scalable Organic Photovoltaic Fabrication
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Bradley P. Kirk, Jonas M. Bjuggren, Gunther G. Andersson, Paul Dastoor and Mats R. Andersson
Materials 2024, 17(11), 2511; https://doi.org/10.3390/ma17112511 - 23 May 2024
Abstract
Within recent years, there has been an increased interest towards organic photovoltaics (OPVs), especially with their significant device performance reaching beyond 19% since 2022. With these advances in the device performance of laboratory-scaled OPVs, there has also been more attention directed towards using
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Within recent years, there has been an increased interest towards organic photovoltaics (OPVs), especially with their significant device performance reaching beyond 19% since 2022. With these advances in the device performance of laboratory-scaled OPVs, there has also been more attention directed towards using printing and coating methods that are compatible with large-scale fabrication. Though large-area (>100 cm2) OPVs have reached an efficiency of 15%, this is still behind that of laboratory-scale OPVs. There also needs to be more focus on determining strategies for improving the lifetime of OPVs that are suitable for scalable manufacturing, as well as methods for reducing material and manufacturing costs. In this paper, we compare several printing and coating methods that are employed to fabricate OPVs, with the main focus towards the deposition of the active layer. This includes a comparison of performances at laboratory (<1 cm2), small (1–10 cm2), medium (10–100 cm2), and large (>100 cm2) active area fabrications, encompassing devices that use scalable printing and coating methods for only the active layer, as well as “fully printed/coated” devices. The article also compares the research focus of each of the printing and coating techniques and predicts the general direction that scalable and large-scale OPVs will head towards.
Full article
(This article belongs to the Special Issue Advanced Photovoltaic Materials: Synthesis, Properties and Applications)
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Ball Milling Innovations Advance Mg-Based Hydrogen Storage Materials Towards Practical Applications
by
Yaohui Xu, Yuting Li, Quanhui Hou, Yechen Hao and Zhao Ding
Materials 2024, 17(11), 2510; https://doi.org/10.3390/ma17112510 - 23 May 2024
Abstract
Mg-based materials have been widely studied as potential hydrogen storage media due to their high theoretical hydrogen capacity, low cost, and abundant reserves. However, the sluggish hydrogen absorption/desorption kinetics and high thermodynamic stability of Mg-based hydrides have hindered their practical application. Ball milling
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Mg-based materials have been widely studied as potential hydrogen storage media due to their high theoretical hydrogen capacity, low cost, and abundant reserves. However, the sluggish hydrogen absorption/desorption kinetics and high thermodynamic stability of Mg-based hydrides have hindered their practical application. Ball milling has emerged as a versatile and effective technique to synthesize and modify nanostructured Mg-based hydrides with enhanced hydrogen storage properties. This review provides a comprehensive summary of the state-of-the-art progress in the ball milling of Mg-based hydrogen storage materials. The synthesis mechanisms, microstructural evolution, and hydrogen storage properties of nanocrystalline and amorphous Mg-based hydrides prepared via ball milling are systematically reviewed. The effects of various catalytic additives, including transition metals, metal oxides, carbon materials, and metal halides, on the kinetics and thermodynamics of Mg-based hydrides are discussed in detail. Furthermore, the strategies for synthesizing nanocomposite Mg-based hydrides via ball milling with other hydrides, MOFs, and carbon scaffolds are highlighted, with an emphasis on the importance of nanoconfinement and interfacial effects. Finally, the challenges and future perspectives of ball-milled Mg-based hydrides for practical on-board hydrogen storage applications are outlined. This review aims to provide valuable insights and guidance for the development of advanced Mg-based hydrogen storage materials with superior performance.
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(This article belongs to the Section Materials Chemistry)
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Open AccessArticle
Static Compaction on Coupled Precursors and Optimizing Molarity for Enhanced Strength and Durability of Geopolymer
by
Khuram Rashid, Mounir Ltifi, Idrees Zafar, Muhammad Hashim Rafiqi and Muhammad Naeem Raoof
Materials 2024, 17(11), 2509; https://doi.org/10.3390/ma17112509 - 23 May 2024
Abstract
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The static compaction technique emphasizes the reduced activator dosage required to develop geopolymers. Therefore, it is crucial to comprehend the optimal alkaline activator concentration for blending low-calcium precursor (fly ash) with high-calcium precursor (GGBS) to produce geopolymer blocks. This work was designed to
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The static compaction technique emphasizes the reduced activator dosage required to develop geopolymers. Therefore, it is crucial to comprehend the optimal alkaline activator concentration for blending low-calcium precursor (fly ash) with high-calcium precursor (GGBS) to produce geopolymer blocks. This work was designed to optimize structural blocks’ compressive strength and durability. In experimentation, fly ash (FA) and slag (GGBS) proportions were initially investigated under NaOH solution with varying molarity (8–12) and curing conditions to develop a load-bearing structural block. Subsequently, the durability of the optimized block was evaluated over 56 days through subjection to sulfate and acidic solutions, with efflorescence monitored over the same period. The results reveal that the structural block comprised of 100% FA exhibits the highest compressive strength and lowest bulk density. Conversely, the block incorporating 25% slag that underwent hot curing demonstrates a remarkable 305% strength increase compared to ambient curing. Considering the physico-mechanical performance, the 100% FA block was chosen for durability investigation. The findings indicate a substantial strength loss exceeding 40% after exposure to sulfate and acidic environments over 56 days, coupled with pronounced efflorescence. Catastrophic failure occurs in all cases due to significant strength deterioration. The FTIR spectrum revealed the shifting of the wavenumber to a higher value and verified the depolymerization and leaching of alumina under acidic exposure. However, the developed geopolymer blocks demonstrate superior sustainability and feasibility compared to conventional fired clay bricks and cement-based FA bricks. Despite slightly higher costs, these blocks exhibit greater strength than their counterparts after enduring severe exposures.
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Open AccessArticle
Desolvation Inability of Solid Hydrates, an Alternative Expression for the Gibbs Free Energy of Solvation, and the Myth of Freeze-Drying
by
Costas Tsioptsias
Materials 2024, 17(11), 2508; https://doi.org/10.3390/ma17112508 - 23 May 2024
Abstract
The term “desolvation inability” is proposed in order to describe the alteration of the original chemical structure of a solute (“decomposition”) prior to the solvent’s full removal upon the heating of the solvate. This behavior has been sporadically reported; however, it is much
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The term “desolvation inability” is proposed in order to describe the alteration of the original chemical structure of a solute (“decomposition”) prior to the solvent’s full removal upon the heating of the solvate. This behavior has been sporadically reported; however, it is much more frequent, and it is the basis of various, seemingly unrelated, effects/processes, e.g., the vinegar syndrome of cellulose acetate cinematographic films, in thermal energy storage. An explanation and a criterion/index for the prediction of this behavior are provided based on the comparison of the Gibbs free energies of decomposition and desolvation. A new approach for the expression of the Gibbs free energy of desolvation is proposed by reversing the roles of the solute and solvent and by regarding water as the solute rather than as the solvent, while the solute is treated as a solid solvent. This approach results in lower solvation/desolvation Gibbs free energy values. Based on the above, the experimentally observed thermal behavior of three inorganic hydrates is predicted and explained. Theoretically and experimentally, it is supported that decomposition is possible at sub-zero (°C) temperatures and the regarded simultaneous drying and protection of heat-sensitive substances by freeze-drying, at least in some cases, e.g., for the case of gallic acid, is an unverified myth.
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(This article belongs to the Special Issue The 15th Anniversary of Materials—Recent Advances in Materials Chemistry)
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Effect of Strain Rate on Mechanical Deformation Behavior in CuZr Metallic Glass
by
Beibei Fan and Maozhi Li
Materials 2024, 17(11), 2507; https://doi.org/10.3390/ma17112507 - 23 May 2024
Abstract
Tensile tests were performed on Cu64Zr36 metallic glass at strain rates of 107/s, 108/s, and 109/s via classical molecular dynamics simulations to explore the underlying mechanism by which strain rate affects deformation behavior. It
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Tensile tests were performed on Cu64Zr36 metallic glass at strain rates of 107/s, 108/s, and 109/s via classical molecular dynamics simulations to explore the underlying mechanism by which strain rate affects deformation behavior. It was found that strain rate has a great impact on the deformation behavior of metallic glass. The higher the strain rate is, the larger the yield strength. We also found that the strain rate changes the atomic structure evolution during deformation, but that the difference in the atomic structure evolution induced by different strain rates is not significant. However, the mechanical response under deformation conditions is found to be significantly different with the change in strain rate. The average von Mises strain of a system in the case of 107/s is much larger than that of 109/s. In contrast, more atoms tend to participate in deformation with increasing strain rate, indicating that the strain localization degree is more significant in cases of lower strain rates. Therefore, increasing the strain rate reduces the degree of deformation heterogeneity, leading to an increase in yield strength. Further analysis shows that the structural features of atomic clusters faded out during deformation as the strain rate increased, benefiting more homogeneous deformation behavior. Our findings provide more useful insights into the deformation mechanisms of metallic glass.
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(This article belongs to the Special Issue Structure and Properties of Metallic Glasses)
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