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Keywords = phase change material

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20 pages, 5958 KiB  
Article
Scalable Fabrication of Light-Responsive Superhydrophobic Composite Phase Change Materials via Bionic-Engineered Wood for Solar–Thermal Energy Management
by Yang Meng, Jiangyu Zhang, Yuchan Li, Hui Jiang and Delong Xie
Molecules 2025, 30(1), 168; https://doi.org/10.3390/molecules30010168 (registering DOI) - 4 Jan 2025
Viewed by 182
Abstract
The growing demand for sustainable energy storage solutions has underscored the importance of phase change materials (PCMs) for thermal energy management. However, traditional PCMs are always inherently constrained by issues such as leakage, poor thermal conductivity, and lack of solar energy conversion capacity. [...] Read more.
The growing demand for sustainable energy storage solutions has underscored the importance of phase change materials (PCMs) for thermal energy management. However, traditional PCMs are always inherently constrained by issues such as leakage, poor thermal conductivity, and lack of solar energy conversion capacity. Herein, a multifunctional composite phase change material (CPCM) is developed using a balsa-derived morphology genetic scaffold, engineered via bionic catechol surface chemistry. The scaffold undergoes selective delignification, followed by a simple, room-temperature polydopamine (PDA) modification to deposit Ag nanoparticles (Ag NPs) and graft octadecyl chains, resulting in a superhydrophobic hierarchical structure. This superhydrophobicity plays a critical role in preventing PCM leakage and enhancing environmental adaptability, ensuring long-term stability under diverse conditions. Encapsulating stearic acid (SA) as the PCM, the CPCM exhibits exceptional stability, achieving a high latent heat of 175.5 J g−1 and an energy storage efficiency of 87.7%. In addition, the thermal conductivity of the CPCM is significantly enhanced along the longitudinal direction, a 2.1-fold increase compared to pure SA, due to the integration of Ag NPs and the unidirectional wood architecture. This synergy also drives efficient photothermal conversion via π-π stacking interactions of PDA and the surface plasmon effects of Ag NPs, enabling rapid solar-to-thermal energy conversion. Moreover, the CPCM demonstrates remarkable water resistance, self-cleaning ability, and long-term thermal reliability, retaining its functionality through 100 heating–cooling cycles. This multifunctional balsa-based CPCM represents a breakthrough in integrating phase-change behavior with advanced environmental adaptability, offering promising applications in solar–thermal energy systems. Full article
(This article belongs to the Special Issue Recent Advances in Superhydrophobic Materials and Their Application)
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Graphical abstract

Graphical abstract
Full article ">Figure 1
<p>Schematic diagram of the preparation of CPCMs encapsulated by balsa-derived morphology genetic superhydrophobic scaffold.</p>
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<p>(<b>a</b>) Digital photograph of the bioinspired superhydrophobic modification process of the balsa-derived scaffold; (<b>b</b>) water-repellent mirror effect on the superhydrophobic balsa-derived scaffold; (<b>c</b>) durability of the superhydrophobic interface on the balsa-derived scaffold.</p>
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<p>SEM images of balsa-derived scaffolds at different resolutions, showing both cross-sectional views and tracheid surfaces: (<b>a1</b>–<b>a3</b>) RW, (<b>b1</b>–<b>b3</b>) DW, (<b>c1</b>–<b>c3</b>) PW@Ag, and (<b>d1</b>–<b>d3</b>) PW@Ag-O.</p>
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<p>(<b>a</b>) FTIR spectra, (<b>b</b>) XRD patterns, and (<b>c</b>) XPS survey spectra of raw balsa wood (RW), delignified balsa wood (DW), PDA-modified balsa wood (PW), and ODA/PDA/Ag NP hybrid-modified DW (PW@Ag-O). High-resolution XPS spectrum of PW@Ag-O: (<b>d</b>) O1s, (<b>e</b>) N1s, and (<b>f</b>) Ag3d.</p>
Full article ">Figure 5
<p>(<b>a1</b>) Binary distribution map and (<b>a2</b>) pore size distribution statistics of the RW cross-sectional microtopography; (<b>b1</b>) binary distribution map and (<b>b2</b>) pore size distribution statistics of the PW@Ag-O cross-sectional microtopography; (<b>c</b>) FTIR spectra and (<b>d</b>) TGA curves of pure SA, modified balsa-derived scaffolds, and their composites; microstructures of CPCMs at different resolutions: (<b>e1</b>,<b>e2</b>) DW/SA, (<b>f1</b>,<b>f2</b>) hygroscopic DW/SA, and (<b>g1</b>,<b>g2</b>) PW@Ag-O/SA; (<b>h</b>) digital image of underwater superoleophobic test of DW; (<b>i</b>) schematic of interfacial enhancement mechanism in CPCMs.</p>
Full article ">Figure 6
<p>Pure SA and balsa-based CPCMs: (<b>a</b>) DSC thermograms during the cooling process; (<b>b</b>) DSC thermograms during the heating process; (<b>c</b>) statistical analysis of phase-change enthalpy; (<b>d</b>) long thermal conductivity; (<b>e</b>) longitudinal thermal conductivity; and (<b>f</b>) DSC thermograms of PW@Ag-O/SA over 100 thermal cycling tests.</p>
Full article ">Figure 7
<p>(<b>a</b>) Digital image of the photothermal conversion testing system for balsa-based CPCMs and the mechanism of photothermal conversion pathways; (<b>b</b>) heating and (<b>c</b>) cooling profiles of DW/SA and PW@Ag-O/SA during solar–thermal energy utilization; (<b>d</b>) infrared thermographic images of DW/SA and PW@Ag-O/SA under one-sun irradiation.</p>
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<p>(<b>a</b>) Water contact angles and corresponding digital photographs of DW, SA, DW/SA, and PW@Ag-O/SA; (<b>b</b>) digital photographs of water absorption experiments for DW/SA and PW@Ag-O/SA; (<b>c</b>) water absorption curves of DW, SA, DW/SA, and PW@Ag-O/SA; (<b>d</b>) water contact angles of PW@Ag-O/SA under different operating temperatures and after 100 cycles; (<b>e</b>) self-cleaning behavior of PW@Ag-O/SA captured in digital images.</p>
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12 pages, 7433 KiB  
Article
Effect of TiS2 on Hydrogen Absorption and Desorption Performance of Mechanically Ball-Milled Mg95Ce5 Alloy
by Haitao Lv, Liangrui Wang, Xiulong Ou and Zhiming Li
Symmetry 2025, 17(1), 71; https://doi.org/10.3390/sym17010071 (registering DOI) - 4 Jan 2025
Viewed by 213
Abstract
Magnesium-based materials have been considered to be potential hydrogen storage materials due to their high hydrogen storage capacity and abundance in natural resources. In order to improve the hydrogen storage performance of magnesium-based materials, a Mg95Ce5 alloy was prepared by [...] Read more.
Magnesium-based materials have been considered to be potential hydrogen storage materials due to their high hydrogen storage capacity and abundance in natural resources. In order to improve the hydrogen storage performance of magnesium-based materials, a Mg95Ce5 alloy was prepared by using the vacuum induction melting method. Moreover, TiS2 was used as a catalyst, and a series of Mg95Ce5 + x wt% TiS2 (x = 0, 3, 5 and 10) composites with different TiS2 contents were prepared by the mechanical ball-milling method. The addition of TiS2 as a catalyst broke the inherent symmetry of the Mg95Ce5 alloy at both the atomic and defect levels, potentially improving hydrogen storage by modifying hydrogen diffusion pathways and interaction sites. The structural analysis results indicate that the Mg95Ce5 alloy is composed of Mg and CeMg12 phases. After the hydrogenation process, the Mg and CeMg12 phases in the Mg95Ce5–TiS2 composites transformed into CeH2.73 and MgH2. In addition, CeS2 and TiH1.5 could be detected in the hydrogenated samples, indicating that the TiS2 decomposed and changed into CeS2 and TiH1.5 during the hydrogenation reaction. Adding TiS2 to Mg95Ce5 alloy could significantly improve the hydrogen absorption and desorption kinetic properties, and the dehydrogenation peak temperature of the composites was reduced from 389.5 °C to 329.7 °C when the TiS2 content increased from 0 to 10 wt%. However, the addition of TiS2 inevitably reduced the reversable hydrogen storage capacity of the composites. The hydrogen absorption and desorption thermodynamic measurement results indicate that the TiS2 catalyst has almost no influence on the enthalpy and entropy changes of the composites during the hydrogenation process. Full article
(This article belongs to the Section Engineering and Materials)
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Figure 1

Figure 1
<p>XRD patterns and SEM images of the TiS<sub>2</sub> catalyst and the Mg<sub>95</sub>Ce<sub>5</sub> alloy: (<b>a</b>) XRD patterns of the TiS<sub>2</sub> and Mg<sub>95</sub>Ce<sub>5</sub> samples; (<b>b</b>) SEM image (secondary electron image) of the TiS<sub>2</sub> catalyst; (<b>c</b>) SEM image (backscattered electron image) of the Mg<sub>95</sub>Ce<sub>5</sub> alloy ingot.</p>
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<p>XRD patterns of the ball-milled Mg<sub>95</sub>Ce<sub>5</sub>–TiS<sub>2</sub> composites with different TiS<sub>2</sub> contents.</p>
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<p>SEM images of the ball-milled Mg<sub>95</sub>Ce<sub>5</sub>–TiS<sub>2</sub> composites with different TiS<sub>2</sub> content: (<b>a</b>) Mg<sub>95</sub>Ce<sub>5</sub>; (<b>b</b>) Mg<sub>95</sub>Ce<sub>5</sub>–3 TiS<sub>2</sub>, (<b>c</b>) Mg<sub>95</sub>Ce<sub>5</sub>–5 TiS<sub>2</sub>, (<b>d</b>) Mg<sub>95</sub>Ce<sub>5</sub>–10 TiS<sub>2</sub>.</p>
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<p>XRD patterns of the hydrogenated and dehydrogenated Mg<sub>95</sub>Ce<sub>5</sub>–TiS<sub>2</sub> composites: (<b>a</b>) hydrogenated samples; (<b>b</b>) dehydrogenated samples.</p>
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<p>TPD curves of the Mg<sub>95</sub>Ce<sub>5</sub>–TiS<sub>2</sub> composites measured at a heating rate of 3 °C min<sup>−1</sup>.</p>
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<p>Hydrogen absorption and desorption kinetic curves of the Mg<sub>95</sub>Ce<sub>5</sub>–TiS<sub>2</sub> composites at various temperatures: (<b>a</b>–<b>c</b>) absorption curves; (<b>d</b>–<b>f</b>) desorption curves.</p>
Full article ">Figure 7
<p>(<b>a</b>–<b>d</b>) JMAK fitting results of ln[−ln(1 − <span class="html-italic">α</span>)] versus ln<span class="html-italic">t</span> and corresponding fitting lines for the dehydrogenation of Mg<sub>95</sub>Ce<sub>5</sub>–TiS<sub>2</sub> composites; (<b>e</b>) Arrhenius plots and corresponding fitting lines for the composites; (<b>f</b>) obtained <span class="html-italic">E</span><sub>a</sub> values of the composites with different TiS<sub>2</sub> contents.</p>
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<p>(<b>a</b>–<b>d</b>) <span class="html-italic">p</span>–<span class="html-italic">c</span>–<span class="html-italic">T</span> curves of the Mg<sub>95</sub>Ce<sub>5</sub>–TiS<sub>2</sub> composites at different temperatures; (<b>e</b>,<b>f</b>) van’t Hoff plots and corresponding fitting lines for hydrogen absorption and desorption reactions.</p>
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15 pages, 28312 KiB  
Article
Silver Nanoparticles–Chitosan Nanocomposites as Protective Coatings for Dental Remineralization Treatment: An In Vitro Study
by Katleen A. Aguirre de Rodríguez, Wendy Y. Escobar de González, Vianney Castañeda Monroy, Sean Murphy, Gabriel-Alejandro Martínez-Castañón, Horacio Bach and Nereyda Niño-Martínez
Coatings 2025, 15(1), 40; https://doi.org/10.3390/coatings15010040 - 3 Jan 2025
Viewed by 214
Abstract
Research with nanoparticles for the treatment and prevention of dental caries is of special interest given the high prevalence of the disease worldwide. Several studies support the use of nanoparticles associated with materials given their antimicrobial properties and potential demineralization reduction. This study [...] Read more.
Research with nanoparticles for the treatment and prevention of dental caries is of special interest given the high prevalence of the disease worldwide. Several studies support the use of nanoparticles associated with materials given their antimicrobial properties and potential demineralization reduction. This study aimed to evaluate the impact of the application of silver nanoparticles (AgNPs) and chitosan gel in combination with commercial fluoride varnish on the remineralization of dental enamel. Ninety-six tooth blocks were macroscopically evaluated via stereomicroscopy, ICDAS II, and laser fluorescence. Enamel blocks were subjected to artificial demineralization and divided into four exposure groups (24, 48, 120, and 168 h), and five different remineralizing agents were applied, namely, FV (fluoride varnish), FV + CG (fluoride varnish + chitosan gel), FV + AgNPs (fluoride varnish + AgNPs), FV + AgNPs + CG (fluoride varnish + AgNPs + chitosan gel), and AgNPs + CG (AgNPs + chitosan gel). Enamel surface changes were evaluated via laser fluorescence, X-ray diffraction, scanning electron microscopy, and energy-dispersive X-ray spectroscopy. Laser fluorescence results obtained from demineralized blocks and subsequently exposed to remineralizing treatment indicate significant differences. After exposure to remineralizing agents, hydroxyapatite and modified apatite phases were identified mainly in the samples treated with FV + AgNPs + CG in the groups exposed for 24, 48, and 120 h. The FV + AgNPs + CG and AgNPs + CG indicate good performance in terms of the Ca/P ratio in in vitro demineralization compared to the group treated with fluorine varnish. Full article
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Figure 1
<p>Macroscopic evaluation of vestibular/lingual surfaces by stereomicroscopy: (<b>A</b>) smooth and (<b>B</b>) continuous surfaces without white spots in healthy enamel; (<b>C</b>) smooth and (<b>D</b>) continuous surfaces showing porous opaque demineralized enamel.</p>
Full article ">Figure 1 Cont.
<p>Macroscopic evaluation of vestibular/lingual surfaces by stereomicroscopy: (<b>A</b>) smooth and (<b>B</b>) continuous surfaces without white spots in healthy enamel; (<b>C</b>) smooth and (<b>D</b>) continuous surfaces showing porous opaque demineralized enamel.</p>
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<p>X-ray diffraction spectra: (<b>a</b>) healthy enamel; (<b>b</b>) enamel demineralized for 1 min with 35% phosphoric acid; (<b>c</b>) FV + CG + AgNPs-24 h; (<b>d</b>) FV + CG + AgNPs-48 h; (<b>e</b>) FV + CG + AgNPs-120 h.</p>
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<p>Scanning electron microscopy images of healthy enamel.</p>
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<p>Scanning electron microscopy images of the enamel surface. Exposure to (<b>a</b>) FV, (<b>b</b>) FV + CG + AgNPs, (<b>c</b>) CG + AgNPs, and (<b>d</b>) artificial saliva after 120 h of exposure.</p>
Full article ">Figure 4 Cont.
<p>Scanning electron microscopy images of the enamel surface. Exposure to (<b>a</b>) FV, (<b>b</b>) FV + CG + AgNPs, (<b>c</b>) CG + AgNPs, and (<b>d</b>) artificial saliva after 120 h of exposure.</p>
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<p>Scanning electron microscopy images of enamel surface. Exposure to (<b>a</b>) FV, (<b>b</b>) FV + CG + AgNPs, (<b>c</b>) CG + AgNPs, and (<b>d</b>) artificial saliva after 168 h of exposure.</p>
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11 pages, 263 KiB  
Article
Differentiating Apical and Basal Left Ventricular Aneurysms Using Sphericity Index: A Clinical Study
by Slobodan Tomić, Stefan Veljković, Armin Šljivo, Dragana Radoičić, Goran Lončar and Milovan Bojić
Medicina 2025, 61(1), 68; https://doi.org/10.3390/medicina61010068 - 3 Jan 2025
Viewed by 186
Abstract
Background and Objectives: Left ventricular aneurysm (LVA) causes geometric changes, including reduced systolic function and a more spherical shape, which is quantified by the sphericity index (SI), the ratio of the short to long axis in the apical four-chamber view. This study [...] Read more.
Background and Objectives: Left ventricular aneurysm (LVA) causes geometric changes, including reduced systolic function and a more spherical shape, which is quantified by the sphericity index (SI), the ratio of the short to long axis in the apical four-chamber view. This study aimed to assess SI’s value in A-LVA and B-LVA, identify influencing factors, and evaluate its clinical relevance. Materials and Methods: This clinical study included 54 patients with post-infarction LVA and used echocardiography to determine LVA locations (A-LVA near the apex and B-LVA in the basal segments), with SI and other echocardiographic measures assessed in both systole and diastole for the entire cohort and stratified by A-LVA and B-LVA groups. Results: Among the 54 patients, 41 had A-LVA and 13 had B-LVA. The mean SI was 0.55 in diastole and 0.47 in systole for the cohort. Patients with A-LVA had a mean SI of 0.51 in diastole and 0.44 in systole, while B-LVA patients exhibited significantly higher SI values, with 0.65 in diastole and 0.57 in systole, due to lower long-axis (L) values in both phases. The mean left ventricular ejection fraction (EF) was 23.95% in A-LVA and 30.85% in B-LVA, with no significant difference. However, apical aneurysms were larger (greater LVAV and LVAA) and more significantly reduced functional myocardium. LVEDV, LVESV, LVEDA, and LVESA did not differ significantly between A-LVA and B-LVA. In cases of severe mitral regurgitation (MR), SI was notably higher (0.75 in diastole) due to a marked reduction in the L axis. Conclusions: SI is key in differentiating A-LVA and B-LVA on echocardiography. B-LVA has lower volume and area values, but similar aneurysm and left ventricular volumes and EF. Higher SI in B-LVA is due to a reduced L-axis, and is worsened by severe mitral regurgitation (MR). Surgical ventricular reconstruction (SVR) compensates for L-axis reduction, with preservation of the L axis critical for achieving a more physiological shape. SI thus serves as a marker for left ventricular geometry and surgical outcomes. Full article
(This article belongs to the Section Cardiology)
16 pages, 18837 KiB  
Article
Preparation and Thermal Performance Study of a Novel Organic–Inorganic Eutectic Phase Change Material Based on Sodium Acetate Trihydrate and Polyethylene Glycol for Heat Recovery
by Wanchun Sun, Xuyan Xu, Tao Zhang, Zhijiang Wu and Yansheng Xu
Materials 2025, 18(1), 164; https://doi.org/10.3390/ma18010164 - 3 Jan 2025
Viewed by 268
Abstract
A novel organic–inorganic eutectic phase change material (PCM) based on sodium acetate trihydrate (SAT) and polyethylene glycol (PEG) was developed to meet the needs of heat recovery and building heating. Three kinds of PEG with different molecular weights were selected to form organic–inorganic [...] Read more.
A novel organic–inorganic eutectic phase change material (PCM) based on sodium acetate trihydrate (SAT) and polyethylene glycol (PEG) was developed to meet the needs of heat recovery and building heating. Three kinds of PEG with different molecular weights were selected to form organic–inorganic eutectic PCM with SAT. The thermal properties of three series of SAT-PEG eutectic PCM were compared based on DSC results, focusing on the impact of PEG addition on the phase change temperature and enthalpy of SAT, as well as the melting uniformity. The inhibitory effects of two nucleating agents on the supercooling of SAT-PEG eutectic PCM were systematically investigated. The effect of PEG on the crystallization behavior of SAT was studied using a metallographic microscope. To evaluate the thermal reliability of the SAT-PEG eutectic PCM, 600 cycles of melting–solidification experiments were conducted. Experimental results show that SAT can form eutectic PCMs with PEG200, PEG600, and PEG6000, respectively, with high enthalpy and excellent melting uniformity. The phase change temperature ranged from 55 °C to 60 °C and the enthalpy was as high as 250–280 kJ/kg. The results of the cooling curves show that 10 wt% tetrasodium pyrophosphate decahydrate (TPD) can reduce the supercooling degree to less than 1 °C. Significantly, all three series of SAT-PEG eutectic PCMs exhibit exceptional thermal reliability after 600 cycles of melting–solidification, with shifts in the phase change temperatures and enthalpies of less than 4%. XRD diffraction patterns showed that SAT, PEG, and TPD were physically mixed without a chemical reaction to form new substances. Microscopic images reveal that the addition of PEG preserves the original needle-shaped crystal morphology of SAT while reducing its crystal size. The rapid formation of small crystals can provide more nucleation points and expedite crystallization, thereby enhancing the heat release capabilities of the PCM. Full article
(This article belongs to the Special Issue Phase Change Materials (PCM) for Thermal Energy Storage)
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Figure 1
<p>Schematic diagram of the experimental apparatus for measuring the cooling curve.</p>
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<p>Images of the organic–inorganic SAT-PEG eutectic PCM in the molten state (at 70 °C): (<b>a</b>) SAT-PEG200; (<b>b</b>) SAT-PEG600; (<b>c</b>) SAT-PEG6000.</p>
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<p>Photographs of PEG200, PEG600, and PEG6000 samples at different ambient temperatures (15 °C, 45 °C, and 85 °C).</p>
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<p>DSC curves of the organic–inorganic eutectic PCMs of (<b>a</b>) SAT-PEG200, (<b>b</b>) SAT-PEG600, and (<b>c</b>) SAT-PEG6000.</p>
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<p>Cooling curves of the SAT-PEG 200 eutectic PCM containing the nucleating agent of (<b>a</b>) DHPD and (<b>b</b>) TPD.</p>
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<p>Cooling curves of the SAT-PEG600 and SAT-PEG6000 eutectic PCMs containing nucleating agent of 10 wt% TPD.</p>
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<p>Microscopic images of SAT crystals With a scale of 500 μm (<b>a</b>,<b>b</b> represent sampled images from different locations).</p>
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<p>Microscopic images of PEG6000 crystals with a scale of (<b>a</b>) 200 μm; (<b>b</b>) 500 μm.</p>
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<p>Microscopic images of SAT-PEG6000 eutectic PCM crystals with a scale of (<b>a</b>) 500 μm; (<b>b</b>) 200 μm.</p>
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<p>XRD diffraction patterns of SAT, PEG6000, TPD, and SAT-PEG6000-TPD eutectic PCM.</p>
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<p>SEM images of 100-mesh expanded graphite with different magnification factors: (<b>a</b>) 10,000 times and (<b>b</b>) 2000 times.</p>
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<p>SEM images of SAT-PEG6000/expanded graphite composite PCM with different magnification factors: (<b>a</b>) 10,000 times and (<b>b</b>) 2000 times.</p>
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<p>DSC results of three kinds of SAT-PEG eutectic PCMs before and after melting–solidification cycling experiments: (<b>a</b>) SAT-PEG200 eutectic PCM; (<b>b</b>) SAT-PEG600 eutectic PCM; (<b>c</b>) SAT-PEG6000 eutectic PCM.</p>
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15 pages, 3088 KiB  
Article
Dynamic Mechanical Properties and Energy Absorption Capabilities of Polyureas Through Experiments and Molecular Dynamic Simulation
by Ke Yang, Shanda Wang, Yanru Chen, Hanhai Dong, Quanguo Wang and Qingli Cheng
Polymers 2025, 17(1), 107; https://doi.org/10.3390/polym17010107 - 2 Jan 2025
Viewed by 303
Abstract
Polyurea (PUR) has been widely used as a protective coating in recent years. In order to complete the understanding of the relationship between PUR microstructure and its energy absorption capabilities, the mechanical and dynamic performance of PURs containing various macrodiol structural units were [...] Read more.
Polyurea (PUR) has been widely used as a protective coating in recent years. In order to complete the understanding of the relationship between PUR microstructure and its energy absorption capabilities, the mechanical and dynamic performance of PURs containing various macrodiol structural units were compared using material characterization techniques and molecular dynamic simulation. The results showed that the PUR polycarbonate diols formed as energy absorbing materials showed high tensile strength, high toughness, and excellent loss factor distribution based on the comparison of stress–strain tensile curves, glass transition temperatures, phase images, and dynamic storage loss modulus. External energy from simple shear deformation was absorbed to convert non-bond energy, in particular, based on fractional free volume, interaction energy, and total energy and hydrogen bond number change from the molecular dynamic simulation. Hydrogen bonds formed between soft segments and hard segments in the PURs have been proven to play a significant role in determining their mechanical and dynamic performance. The mechanical and dynamic properties of PURs characterized and tested using experimental techniques were quantified effectively using molecular dynamic simulation. This is believed to be an innovative theoretical guidance for the structural design of PURs at the molecular level for the optimization of energy absorption capabilities. Full article
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Figure 1
<p>Schematic photo of synthetic routes and molecular models of the four types of PURs.</p>
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<p>Optical photos of the four PURs: (<b>a</b>) PPG1000-PUR, (<b>b</b>) PTMG1000-PUR, (<b>c</b>) PCL1000-PUR, (<b>d</b>) PC1000-PUR.</p>
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<p>ATR-FTIR spectra of the PURs: (<b>a</b>) attribution of C=O peaks, (<b>b</b>) state of N-H association.</p>
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<p>SEM images of the PURs: (<b>a</b>) PPG1000-PUR, (<b>b</b>) PTMG1000-PUR, (<b>c</b>) PCL1000-PUR, (<b>d</b>) PC1000-PUR before tensile testing, (<b>e</b>) PPG1000-PUR, (<b>f</b>) PTMG1000-PUR, (<b>g</b>) PCL1000-PUR, (<b>h</b>) PC1000-PUR after tensile testing.</p>
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<p>SEM images of tensile fracture surfaces of the four PURs: (<b>a</b>) PPG1000-PUR, (<b>b</b>) PTMG1000-PUR, (<b>c</b>) PCL1000-PUR, (<b>d</b>) PC1000-PUR.</p>
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<p>Dynamic properties of the PURs using DMA: (<b>a</b>) loss factors depending on temperature, (<b>b</b>) storage modulus and loss modulus depending on frequency.</p>
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<p>Van der Waals force energy, electrostatic force energy, and H-Bond number on the interface of macrodiol segments and resin segments of the PURs.</p>
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<p>Mean square radius of the gyration of the macrodiol segments and resin segments in the PURs.</p>
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<p>Changes in the PURs depending on shear rate: (<b>a</b>) temperature trends, (<b>b</b>) ΔE<sub>potential</sub> trends, (<b>c</b>) ΔE<sub>bond</sub>, ΔE<sub>non-bond</sub>, and ΔH-Bond.</p>
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<p>A zoomed-in view of the PC1000-PUR model (<b>a</b>) before and (<b>b</b>) after shear deformation. The H-bonds were depicted as dashed lines and the yellow balls were object atoms.</p>
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18 pages, 9711 KiB  
Article
Cr3+-Doped Anatase-Phase TiO2 Nanocrystals with (101) and (004) Dominant Facets: Synthesis and Characterization
by Rayhan Hossain and Allen Apblett
Catalysts 2025, 15(1), 33; https://doi.org/10.3390/catal15010033 - 2 Jan 2025
Viewed by 234
Abstract
Anatase-phase rod-shaped TiO2 nanocrystals are prepared by the solvothermal method, the surface is metalated, and doped nanocrystals are achieved by thermal diffusion of surface metal ions. Incorporation of dopant ions into TiO2 lattice enhances the visible light absorption of the material [...] Read more.
Anatase-phase rod-shaped TiO2 nanocrystals are prepared by the solvothermal method, the surface is metalated, and doped nanocrystals are achieved by thermal diffusion of surface metal ions. Incorporation of dopant ions into TiO2 lattice enhances the visible light absorption of the material and in some cases can increase the rate of photocatalysis. Even though there are overflowing studies on the preparation of doped TiO2 materials, there are no methods that enable the precise control of dopant concentration in TiO2 nanocrystals. We have developed a method to load the surface of oleic acid stabilized anatase-phase rod-shaped TiO2 nanocrystals (approx. 3 ± 1 nm diameter and 40 ± 10 nm long) with transition metal ions followed by ion diffusion to prepare metal-doped nanocrystals with exact control of the dopant concentration. Specifically, in this work, Cr3+ adsorbs TiO2 nanorods to yield a green colloid, followed by ion diffusion at elevated temperature. After removal of any remaining surface Cr3+, tan-colored chromium-doped TiO2 nanorods can be obtained. Electron microscopy and powder X-ray diffraction indicate no change in nanocrystal size and morphology throughout the process. The TiO2 nanorods play an important role in photocatalysis owing to their excellent chemical and physical properties. Titanium dioxide is a low-cost, non-toxic, highly stable, chemically robust material. Doped TiO2 materials have found application in photocatalysis (oxidative degradation of organic molecules, hydrogen evolution), photovoltaics, solar cells, lithium-ion batteries, supercapacitors, and sensors. TiO2 photocatalysis is also the basis for clean energy technologies, such as dye-sensitized solar cells and photoelectrochemical cells. In photocatalysis applications, nanocrystalline TiO2 presents advantages of a high surface area, ability to control the surface facet, and minimized bulk recombination. Full article
(This article belongs to the Special Issue TiO2 Photocatalysts—Towards Sustainable Chemistry)
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<p>TEM images of (<b>A</b>) synthesized TiO<sub>2</sub> and of (<b>B</b>) 7% Cr<sup>3+</sup><sub>(doped)</sub>-TiO<sub>2</sub> nanorods. The scale bar is 100 nm (<b>A</b>,<b>B</b>). (<b>C</b>) High-resolution TEM image of anatase TiO<sub>2</sub> nanorods with a scale bar of 5 nm. (<b>D</b>) The high-resolution image of the boxed region is shown by fast Fourier transform (FFT).</p>
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<p>XRD pattern of (<b>A</b>) TiO<sub>2</sub> nanorods and (<b>B</b>) Cr<sup>3+</sup><sub>(doped)</sub>-TiO<sub>2</sub> samples with different dopant concentrations. The labels indicate the theoretical ratio of Cr:TiO<sub>2</sub> in the preparation of Cr<sup>3+</sup><sub>(surface)</sub>-TiO<sub>2</sub>.</p>
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<p>UV–visible absorption spectra of (<b>A</b>) synthesized TiO<sub>2</sub> and (<b>B</b>) 7% Cr<sup>3+</sup><sub>(doped)</sub>-TiO<sub>2</sub> nanorods dispersed in hexane.</p>
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<p>SEM images of prepared 7% Cr<sup>3+</sup><sub>(doped)</sub>-TiO<sub>2</sub> nanorods.</p>
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<p>Energy dispersive spectroscopy (EDS) spectrum of anatase-phase Cr<sup>3+</sup><sub>(doped)</sub>-TiO<sub>2</sub> nanorods. The EDS analysis shows the peaks from both Ti and Cr and thus indicates the presence of both particles. EDS mapping shows single-particle EDS analysis. Scale bars: 10 μm.</p>
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<p>PL spectra of undoped and Cr<sup>3+</sup><sub>(doped)</sub>-TiO<sub>2</sub> nanocrystals with different dopant concentrations. PL spectra measured with the excitation wavelength at 290 nm (<b>left</b>) and 350 nm (<b>right</b>).</p>
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<p>UV–visible absorption spectrum of Cr<sup>3+</sup><sub>(doped)</sub>-TiO<sub>2</sub> after treatment with 8-HQ.</p>
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<p>UV–visible absorption spectrum of Cr-doped TiO<sub>2</sub> after treatment with TPP.</p>
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<p>Tauc plot for prepared Cr-doped TiO<sub>2</sub> nanorods. The plot shows a bandgap range of 2.2–2.7 eV, narrowed by Cr doping, enhancing visible light absorption for photocatalytic and solar applications.</p>
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<p>Resistance versus film thickness plot for thin-film samples of TiO<sub>2</sub>- and Cr-doped TiO<sub>2</sub> on ITO-coated glass substrate.</p>
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<p>Time-dependent photocatalytic hydrogen production. Rate of hydrogen generation using 200 W Xe Arc lamp as light source.</p>
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14 pages, 5412 KiB  
Article
Temperature-Independent Thermal Radiation Design Using Phase-Change Materials
by Viktoriia E. Babicheva, Heungsoo Kim and Alberto Piqué
Coatings 2025, 15(1), 38; https://doi.org/10.3390/coatings15010038 - 2 Jan 2025
Viewed by 280
Abstract
The ability to treat the surface of an object with coatings that counteract the change in radiance resulting from the object’s blackbody emission can be very useful for applications requiring temperature-independent radiance behavior. Such a response is difficult to achieve with most materials [...] Read more.
The ability to treat the surface of an object with coatings that counteract the change in radiance resulting from the object’s blackbody emission can be very useful for applications requiring temperature-independent radiance behavior. Such a response is difficult to achieve with most materials except when using phase-change materials, which can undergo a drastic change in their optical response, nullifying the changes in blackbody radiation across a narrow range of temperatures. We report on the theoretical design, giving the possibility of extending the temperature range for temperature-independent radiance coatings by utilizing multiple layers, each comprising a different phase-change material. These designed multilayer coatings are based on thin films of samarium nickelate, vanadium dioxide, and doped vanadium oxide and cover temperatures ranging from room temperature to up to 140 °C. The coatings are numerically engineered in terms of layer thickness and doping, with each successive layer comprising a phase-change material with progressively higher transition temperatures than those below. Our calculations demonstrate that the optimized thin film multilayers exhibit a negligible change in the apparent temperature of the engineered surface. These engineered multilayer films can be used to mask an object’s thermal radiation emission against thermal imaging systems. Full article
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<p>(<b>a</b>) Schematic illustrating the thermal concealment of a hot surface. The unconcealed surface appears to have different temperatures upon heating. In contrast, the ideal concealed surface appears to have the same temperature with low radiance, even when the actual temperature of the surface is increased. (<b>b</b>) Spectral radiances of a SiO<sub>2</sub> substrate for different temperatures (35, 70, 100, and 140 °C). The plot shows typical unconcealed thermal changes determined primarily by changes in blackbody radiation.</p>
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<p>Effect of one layer of phase-change material on emitted radiance. (<b>a</b>,<b>b</b>) SmNiO<sub>3</sub> and (<b>c</b>,<b>d</b>) VO<sub>2</sub> on AZO/SiO<sub>2</sub>. (<b>a</b>) SmNiO<sub>3</sub> minimizes FoM in the temperature range of 100–140 °C, which corresponds to its phase transition, and the ideal thickness of SmNiO<sub>3</sub> is &gt;200 nm, denoted by a red circle. (<b>b</b>) Spectral emissivity of the coating with 200-nm SmNiO<sub>3</sub>. (<b>c</b>) VO<sub>2</sub> strongly affects the radiance at temperatures around 45–70 °C, and the ideal thickness of VO<sub>2</sub> is approximately 450 nm, indicated by a red circle. (<b>d</b>) Spectral emissivity of the coating with 450-nm VO<sub>2</sub>.</p>
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<p>FoM for a combination of SmNiO<sub>3</sub> and VO<sub>2</sub> layers. The combination of layers extends the operating temperature range of the operation. Variations in the thickness of (<b>a</b>) VO<sub>2</sub> and (<b>b</b>) SmNiO<sub>3</sub>. In both cases, the optimal thickness is approximately 200 nm (denoted red circles).</p>
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<p>Further extension of the temperature range achieved with W doping of VO<sub>2</sub>. (<b>a</b>) FoM for three layers of materials, SmNiO<sub>3</sub>, VO<sub>2</sub>, and W:VO<sub>2</sub> (0.93 at. %), changing the phase at different temperatures. The red circle shows the optimal range of SmNiO<sub>3</sub> thickness. (<b>b</b>) Comparison of FoMs for the best coating in each category. SmNiO<sub>3</sub> works only in one band (100–135 °C). Adding layers of VO<sub>2</sub> extends the effect to lower temperatures (35–70 °C). (<b>c</b>,<b>d</b>) Spectral radiances for the lower and higher temperature bands, respectively. The comparison is shown for engineered coating (SmNiO<sub>3</sub>, VO<sub>2</sub>, and 0.93 at. % W:VO<sub>2</sub>, solid lines) and bare SiO<sub>2</sub> substrate (dotted lines). The wavelength range is approximately divided into two ranges, and the range of 10–14 μm shows a much better performance of thermal emission management than 8–10 μm.</p>
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<p>(<b>a</b>,<b>b</b>) Performance of the engineered emitter (SmNiO<sub>3</sub>, VO<sub>2</sub>, and 0.93 at. % W:VO<sub>2</sub>) in different wavelength ranges of operation: (<b>a</b>) range 8–10 μm and (<b>b</b>) range 10–14 μm. Thermal coating is better if detection is performed only in the long-wave infrared range. The red circles in (<b>a</b>,<b>b</b>) show the optimal range of SmNiO<sub>3</sub> thickness. (<b>c</b>,<b>d</b>) Spectral emissivity of multilayer coatings: (<b>c</b>) VO<sub>2</sub> and SmNiO<sub>3</sub> combination is shown for each layer of 200 nm, and (<b>d</b>) bilayer of VO<sub>2</sub> with SmNiO<sub>3</sub> is for 150-nm VO<sub>2</sub>, 200-nm W:VO<sub>2</sub>, and 200-nm SmNiO<sub>3</sub>.</p>
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<p>Comparison of the spectral radiance of unconcealed and concealed surfaces. (<b>a</b>) Calculations for the SiO<sub>2</sub> substrate and (<b>b</b>) for the optimized engineered emitter consisting of three layers of materials, SmNiO<sub>3</sub>, VO<sub>2</sub>, and W:VO<sub>2</sub> (0.93 at. %), on top of the AZO/SiO<sub>2</sub> substrate. Both maps are presented with the same color bar to show the relative performance of the thermal coating.</p>
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<p>Multilayer engineered coatings that potentially cover the full range of temperatures, that is, from 35 °C to 135 °C: (<b>a</b>) design involving VO<sub>2</sub> doped with low-valence metal ions and (<b>b</b>) design involving epitaxial superlattices of SmNiO<sub>3</sub> and NdNiO<sub>3</sub>.</p>
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20 pages, 11484 KiB  
Article
Tunable Filters Using Defected Ground Structures at Millimeter-Wave Frequencies
by Kaushik Annam, Birhanu Alemayehu, Eunsung Shin and Guru Subramanyam
Micromachines 2025, 16(1), 60; https://doi.org/10.3390/mi16010060 - 31 Dec 2024
Viewed by 335
Abstract
This paper explores the potential of phase change materials (PCM) for dynamically tuning the frequency response of a dumbbell u-slot defected ground structure (DGS)-based band stop filter. The DGSs are designed using co-planar waveguide (CPW) line structure on top of a barium strontium [...] Read more.
This paper explores the potential of phase change materials (PCM) for dynamically tuning the frequency response of a dumbbell u-slot defected ground structure (DGS)-based band stop filter. The DGSs are designed using co-planar waveguide (CPW) line structure on top of a barium strontium titanate (Ba0.6Sr0.4TiO3) (BST) thin film. BST film is used as the high-dielectric material for the planar DGS. Lower insertion loss of less than −2 dB below the lower cutoff frequency, and enhanced band-rejection with notch depth of −39.64 dB at 27.75 GHz is achieved by cascading two-unit cells, compared to −12.26 dB rejection with a single-unit cell using BST thin film only. Further tunability is achieved by using a germanium telluride (GeTe) PCM layer. The electrical properties of PCM can be reversibly altered by transitioning between amorphous and crystalline phases. We demonstrate that incorporating a PCM layer into a DGS device allows for significant tuning of the resonance frequency: a shift in resonance frequency from 30.75 GHz to 33 GHz with a frequency shift of 2.25 GHz is achieved, i.e., 7.32% tuning is shown with a single DGS cell. Furthermore, by cascading two DGS cells with PCM, an even wider tuning range is achievable: a shift in resonance frequency from 27 GHz to 30.25 GHz with a frequency shift of 3.25 GHz is achieved, i.e., 12.04% tuning is shown by cascading two DGS cells. The results are validated through simulations and measurements, showcasing excellent agreement. Full article
(This article belongs to the Special Issue Microwave Passive Components, 2nd Edition)
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<p>Dumbbell DGS on CPW line.</p>
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<p>U-slot DGS on CPW line.</p>
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<p>Dumbbell u-slot DGS on CPW line.</p>
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<p>Schematic representation of the fabrication process of a dumbbell u-slot DGS using CPW line configuration with BST thin film.</p>
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<p>(<b>a</b>) Simulated frequency response of dumbbell u-slot DGS. (<b>b</b>) Measured frequency response of dumbbell u-slot DGS. (<b>c</b>) Simulated vs. measured S<sub>21</sub> frequency response of dumbbell u-slot DGS.</p>
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<p>(<b>a</b>) Simulated frequency response of dumbbell u-slot DGS. (<b>b</b>) Measured frequency response of dumbbell u-slot DGS. (<b>c</b>) Simulated vs. measured S<sub>21</sub> frequency response of dumbbell u-slot DGS.</p>
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<p>Simulated vs. measured S<sub>21</sub> frequency response of dumbbell DGS.</p>
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<p>Simulated vs. measured S<sub>21</sub> frequency response of u-slot DGS.</p>
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<p>Circuit model for dumbbell u-slot DGS.</p>
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<p>Dumbbell u-slot DGS cascade.</p>
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<p>(<b>a</b>) Simulated frequency response of cascaded dumbbell u-slot DGS. (<b>b</b>) Measured frequency response of cascaded dumbbell u-slot DGS. (<b>c</b>) Simulated vs. measured S<sub>21</sub> frequency response of cascaded dumbbell u-slot DGS.</p>
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<p>(<b>a</b>) Simulated frequency response of cascaded dumbbell u-slot DGS. (<b>b</b>) Measured frequency response of cascaded dumbbell u-slot DGS. (<b>c</b>) Simulated vs. measured S<sub>21</sub> frequency response of cascaded dumbbell u-slot DGS.</p>
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<p>Circuit model for cascaded dumbbell u-slot DGS.</p>
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<p>Schematic model vs. measured S<sub>21</sub> frequency response of cascade dumbbell u-slot DGS.</p>
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<p>Dumbbell u-slot DGS on CPW line with PCM.</p>
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<p>Schematic representation of the fabrication process of a dumbbell u-slot DGS using CPW line configuration with BST and GeTe thin films.</p>
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<p>Frequency response of dumbbell u-slot DGS with PCM. (<b>a</b>) Simulation—amorphous state. (<b>b</b>) Simulation—crystalline state. (<b>c</b>) Measured—amorphous state. (<b>d</b>) Measured—crystalline state. (<b>e</b>) Simulation vs measured S<sub>21</sub>—amorphous state. (<b>f</b>) Simulation vs measured S<sub>21</sub>—crystalline state.</p>
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<p>Frequency response of dumbbell u-slot DGS with PCM. (<b>a</b>) Simulation—amorphous state. (<b>b</b>) Simulation—crystalline state. (<b>c</b>) Measured—amorphous state. (<b>d</b>) Measured—crystalline state. (<b>e</b>) Simulation vs measured S<sub>21</sub>—amorphous state. (<b>f</b>) Simulation vs measured S<sub>21</sub>—crystalline state.</p>
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<p>Frequency response of dumbbell u-slot DGS with PCM. (<b>a</b>) Simulation—amorphous state. (<b>b</b>) Simulation—crystalline state. (<b>c</b>) Measured—amorphous state. (<b>d</b>) Measured—crystalline state. (<b>e</b>) Simulation vs measured S<sub>21</sub>—amorphous state. (<b>f</b>) Simulation vs measured S<sub>21</sub>—crystalline state.</p>
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<p>Dumbbell u-slot DGS with PCM cascade.</p>
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<p>Frequency response of dumbbell u-slot DGS cascade with PCM. (<b>a</b>) Simulation—amorphous state. (<b>b</b>) Simulation—crystalline state. (<b>c</b>) Measured—amorphous state. (<b>d</b>) Measured—crystalline state. (<b>e</b>) Simulation vs measured—amorphous state. (<b>f</b>) Simulation vs measured—crystalline state.</p>
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<p>Frequency response of dumbbell u-slot DGS cascade with PCM. (<b>a</b>) Simulation—amorphous state. (<b>b</b>) Simulation—crystalline state. (<b>c</b>) Measured—amorphous state. (<b>d</b>) Measured—crystalline state. (<b>e</b>) Simulation vs measured—amorphous state. (<b>f</b>) Simulation vs measured—crystalline state.</p>
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<p>Frequency response of dumbbell u-slot DGS cascade with PCM. (<b>a</b>) Simulation—amorphous state. (<b>b</b>) Simulation—crystalline state. (<b>c</b>) Measured—amorphous state. (<b>d</b>) Measured—crystalline state. (<b>e</b>) Simulation vs measured—amorphous state. (<b>f</b>) Simulation vs measured—crystalline state.</p>
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11 pages, 1690 KiB  
Article
Effects of Doping on Elastic Strain in Crystalline Ge-Sb-Te
by Ju-Young Cho and So-Yeon Lee
Materials 2025, 18(1), 132; https://doi.org/10.3390/ma18010132 - 31 Dec 2024
Viewed by 247
Abstract
Phase-change random access memory (PcRAM) faces significant challenges due to the inherent instability of amorphous Ge2Sb2Te5 (GST). While doping has emerged as an effective method for amorphous stabilization, understanding the precise mechanisms of structural modification and their impact [...] Read more.
Phase-change random access memory (PcRAM) faces significant challenges due to the inherent instability of amorphous Ge2Sb2Te5 (GST). While doping has emerged as an effective method for amorphous stabilization, understanding the precise mechanisms of structural modification and their impact on material stability remains a critical challenge. This study provides a comprehensive investigation of elastic strain and stress in crystalline lattices induced by various dopants (C, N, and Al) through systematic measurements of film thickness changes during crystallization. Through detailed analysis of cross-sectional electron microscopy data and theoretical calculations, we reveal distinct behavior patterns between interstitial and substitutional dopants. Interstitial dopants (C and N) generate substantial elastic strain energy (~9 J/g) due to their smaller atomic radii (0.07–0.08 nm) and ability to occupy spaces between lattice sites. In contrast, substitutional dopants (Al) produce lower strain energy (~5 J/g) due to their similar atomic radius (0.14 nm) to host atoms. We demonstrate that N doping achieves higher elastic strain energy compared to C doping, attributed to its preferential formation of Ge-N bonds and resulting lattice distortions. The correlation between dopant properties, structural features, and induced strain energy provides quantitative insights for optimizing dopant selection. These findings establish a fundamental framework for understanding dopant-induced thermodynamic stabilization in GST materials, offering practical guidelines for enhancing the reliability and performance of next-generation PcRAM devices. Full article
(This article belongs to the Special Issue Advanced Semiconductor/Memory Materials and Devices)
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<p>(<b>a</b>) Schematic plot showing how crystallization relies on the competition between the driving force (thermodynamic factor) and the atomic mobility (kinetic factor). (<b>b</b>) The energy landscape showing energy (<span class="html-italic">E</span>) as a function of the atomic configuration (<span class="html-italic">Z*</span>). <span class="html-italic">E<sub>amorphous</sub></span> is the energy of the amorphous state, and the nearby minima are intermediate amorphous states. <span class="html-italic">E<sub>crystalline</sub></span> is the energy of crystalline state, which has the lowest energy state. Δ<span class="html-italic">E</span> is the energy difference between the amorphous and crystalline states.</p>
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<p>(<b>a</b>) Schematic of a distorted crystalline lattice in GST caused by a dopant-induced strain field. (<b>b</b>) Atomic radii of doping elements [<a href="#B35-materials-18-00132" class="html-bibr">35</a>,<a href="#B39-materials-18-00132" class="html-bibr">39</a>,<a href="#B43-materials-18-00132" class="html-bibr">43</a>,<a href="#B44-materials-18-00132" class="html-bibr">44</a>,<a href="#B45-materials-18-00132" class="html-bibr">45</a>,<a href="#B47-materials-18-00132" class="html-bibr">47</a>,<a href="#B48-materials-18-00132" class="html-bibr">48</a>,<a href="#B51-materials-18-00132" class="html-bibr">51</a>] compared to the those of the phase-change materials: Ge, Sb, and Te. The dots are the actual size of the atom in proportion to each other.</p>
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<p>Cross-sectional FESEM images of (<b>a</b>) pure GST, (<b>b</b>) Al 2.3 at.% GST, (<b>c</b>) C 1.3 at.% GST, and (<b>d</b>) N 1.3 at.% GST before and after crystallization.</p>
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<p>(<b>a</b>) Strain associated with changes in film thickness after crystallization for C-doped and N-doped GST [<a href="#B52-materials-18-00132" class="html-bibr">52</a>]. (<b>b</b>) Values of Δ<span class="html-italic">E<sub>s,doping</sub></span> for C-, N-, and Al-GST.</p>
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14 pages, 3542 KiB  
Article
Mechanical and Ecological Properties of CO2 Curing Magnesium Slag Concrete
by Lu Zhang, Yilong Zhang, Fan Zhang, Haonan Liang, Ditao Niu and Hui Li
Materials 2025, 18(1), 109; https://doi.org/10.3390/ma18010109 - 30 Dec 2024
Viewed by 254
Abstract
Magnesium slag is a by-product of the magnesium industry. As an auxiliary cementitious material incorporated into concrete, it can make full use of waste resources and has a certain potential for hydration and carbonation. To improve the mechanical properties of the concrete, the [...] Read more.
Magnesium slag is a by-product of the magnesium industry. As an auxiliary cementitious material incorporated into concrete, it can make full use of waste resources and has a certain potential for hydration and carbonation. To improve the mechanical properties of the concrete, the influence mechanism and strengthening mechanism of the carbon curing method on mechanical properties of magnesium slag concrete were investigated. The effects of different magnesium slag content and water-cement ratio on mechanical properties and ecological properties of carbon cured magnesium slag concrete were analyzed. Based on the phase composition and thermogravimetric composition of magnesium slag concrete, the carbonation mechanism of magnesium slag was revealed. The mechanical properties models of magnesium slag concrete with different carbon curing were constructed. The study shows that with the increase of the magnesium slag, the mechanical properties of carbon curing concrete first increase and then decrease. The optimum mechanical properties of concrete are 30% magnesium slag, and the compressive strength reaches 42.3 MPa. The content of magnesium slag increased from 0% to 60%, and the carbon fixation content was 14.60%, 11.87%, 11.69%, 16.90%, 19.80%, 14.78%, and 13.09%, respectively. With the increase of magnesium slag content, the content and grain size of magnesium oxide in concrete increase, which leads to more micro-bumps and depressions on the surface of the concrete structure. The hydration reaction and carbonation reaction of gelled materials are affected by magnesium ions, resulting in changes in the morphology and crystal structure of CaCO3 and MgCO3 reactants. Full article
(This article belongs to the Section Construction and Building Materials)
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<p>MS raw material composition.</p>
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<p>Schematic diagram of the carbonation reaction device.</p>
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<p>Compressive strength of carbon curing MSC with different MS content.</p>
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<p>Compressive strength of carbon curing MSC with different water-cement ratio.</p>
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<p>Flexural strength of carbon curing MSC with different MS content.</p>
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<p>Flexural strength of carbon curing MSC with different water-cement ratio.</p>
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<p>Relationship models of flexural and compressive strength. (<b>a</b>) 7 d, (<b>b</b>) 14 d, (<b>c</b>) 28 d.</p>
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<p>Thermal analysis image of MSC with 0% MS content. (<b>a</b>) 3 d, (<b>b</b>) 28 d.</p>
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<p>Thermal analysis image of MSC with different MS content at 28 d. (<b>a</b>) TG-DTG, (<b>b</b>) TG, (<b>c</b>) DSC.</p>
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<p>X-ray diffraction results of MSC with different MS content. (<b>a</b>) 3 d, (<b>b</b>) 28 d.</p>
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<p>X-ray diffraction results of MSC with different water-cement ratios. (<b>a</b>) 3 d, (<b>b</b>) 28 d.</p>
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10 pages, 1691 KiB  
Article
Graph-Based Data Analysis for Building Chemistry–Phase Design Rules for High Entropy Alloys
by Scott R. Broderick, Stephen A. Giles, Debasis Sengupta and Krishna Rajan
Crystals 2025, 15(1), 23; https://doi.org/10.3390/cryst15010023 - 28 Dec 2024
Viewed by 217
Abstract
The number and types of phases formed in high entropy alloys (HEAs) have significant impacts on the mechanical properties. While various machine learning approaches were developed for predicting whether an HEA is single or multiphase, changes in chemistry and/or composition can lead to [...] Read more.
The number and types of phases formed in high entropy alloys (HEAs) have significant impacts on the mechanical properties. While various machine learning approaches were developed for predicting whether an HEA is single or multiphase, changes in chemistry and/or composition can lead to other changes across length scales, which affect material performance. To address this challenge, we introduce a graph-based approach, which captures the similarity of alloys across these length scales, and which defines design pathways for the chemical modifications of alloys. Our network defines different regimes of alloys and therefore allows one to design within the same material regime. This approach, which also provides a new genre of HEA phase diagrams, enhances the design of alloys through control of the phase(s) present while maintaining other relevant alloy properties. Full article
(This article belongs to the Special Issue Microstructure and Deformation of Advanced Alloys)
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<p>Logic in building and interpreting graph-based phase diagrams.</p>
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<p>Process for defining design pathways through the graph network. As an example, we wish to improve yield strength. (<b>a</b>) Starting from the currently used alloy (‘Start’), the thermodynamically and structurally similar materials are identified. (<b>b</b>) The pathway then progresses to the highest connect yield strength, with this process repeated. (<b>c</b>) The pathway ends when the alloy (‘Terminus’) has a higher yield strength than any connections.</p>
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<p>The HEA graph network. (<b>top</b>) Each of the nodes represents a different HEA chemistry. The different regions, which were visually defined, capture regions of target property values. (<b>bottom</b>) The inset of the one yield strength region. This shows the compositions within the linear region of the network, which provides a basis for interpreting the connections.</p>
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<p>The HEA phase diagrams, corresponding with the inset of <a href="#crystals-15-00023-f003" class="html-fig">Figure 3</a>. Those connected nodes are defined as having some solubility, with the solubility inversely related to the length of the connection, and the connecting lines serving as tie lines. (<b>a</b>–<b>d</b>) correspond with the different compositions in the network. From the solubility diagrams, we define the relative change in each with distance from the composition. (<b>a</b>) is the nearest to the starting composition, which we define as highest solubility. (<b>b</b>–<b>d</b>) have increasingly low solubility as shown in the figures.</p>
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<p>The defining pathways to improve alloy properties given a chosen starting alloy. The coloring of the nodes corresponds to the phase labels from <a href="#crystals-15-00023-f003" class="html-fig">Figure 3</a>. (<b>a</b>) shows the starting network, (<b>b</b>) is after the first step, and (<b>c</b>) is after the ensuing step, reaching the end of this particular walk.</p>
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19 pages, 5082 KiB  
Article
Lignin–Polyethylene Oxide Interlocked Phase Change Materials with Enhanced Thermal Stability and Form Retention for Efficient Heat Management
by Junsang Park, Pranto Karua, Songtao Tang, Ngoc A. Nguyen and Lili Cai
Polymers 2025, 17(1), 44; https://doi.org/10.3390/polym17010044 - 28 Dec 2024
Viewed by 530
Abstract
The rapid advancement of high-performance technologies, such as electric vehicle (EV) batteries; data centers; and AI systems, has underscored the critical need for effective thermal management solutions. Conventional phase change materials (PCMs) often face challenges, like phase leakage, dimensional instability, and environmental concerns, [...] Read more.
The rapid advancement of high-performance technologies, such as electric vehicle (EV) batteries; data centers; and AI systems, has underscored the critical need for effective thermal management solutions. Conventional phase change materials (PCMs) often face challenges, like phase leakage, dimensional instability, and environmental concerns, limiting their effectiveness in high-stress applications. This study introduces a novel PCM composed of polyethylene oxide (PEO) and lignin, developed to overcome the existing limitations while improving overall thermal management performance and promoting material sustainability. By chemically crosslinking lignin with aliphatic polymer chains compatible with PEO during co-reactive melt processing, we created an interlocked structure that combines high heat capacity with exceptional structural stability. This structure allows the PCM to retain its form and resist phase transitions even under elevated temperatures, up to 115 °C, far above the melting point of PEO, effectively mitigating leakage issues common in conventional PCMs. Comprehensive thermal characterization and dynamic performance testing demonstrate that the lignin-modified PEO composites effectively absorb and dissipate heat, maintaining dimensional stability and resilience under repeated thermal cycling. These findings position these composites as sustainable, reworkable, and efficient alternatives for advanced thermal management applications, particularly in battery thermal management systems (BTMSs), where stability, durability, and performance are critical. Full article
(This article belongs to the Special Issue Feature Papers in Polymer Applications II)
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<p>Schematic of the fabrication process and configuration of the battery thermal management system (BTMS) using the lignin-modified PEO-based phase change material (PCM). Polyethylene oxide (PEO) and lignin are combined in a controlled melt-mixing process to form a composite PCM, which is subsequently molded into shape and integrated with the heater and cylindrical housing.</p>
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<p>Schematic of the experimental setup used for evaluating the thermal performance of the battery thermal management system (BTMS) with lignin-modified PEO PCM. The setup includes a DC power supply, a data acquisition system, and a PC for real-time monitoring. The BTMS is housed in an acrylic box (shown in the photo on the right) to maintain consistent environmental conditions and minimize external thermal interference.</p>
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<p>A nature-inspired structure of PCMs through interlocking kraft lignin with PEO: (<b>a</b>) The thermally unstable structure of PEO, (<b>b</b>) the thermally stable structure of wood when exposed to heat, and (<b>c</b>) lignin-modified PEO composites as scalable and form-stable PCMs through the formation of an interlocked structure. The presented FTIR spectra confirm the successful crosslinking between kraft lignin and TTE, as evidenced by the disappearance of the epoxy peak.</p>
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<p>Thermal properties of lignin-modified PEO composites with varying PEO concentrations (40 wt.%, 64 wt.%, and 88 wt.%), including pure PEO for comparison. (<b>a</b>) Specific heat as a function of temperature, derived from DSC, indicating how each sample’s heat capacity changes near the melting temperature. (<b>b</b>) Heat flow as a function of temperature, derived from DSC. (<b>c</b>) Melting temperature, (<b>d</b>) specific heat capacity, and (<b>e</b>) latent heat values for each sample, highlighting the improved thermal stability and performance of lignin-modified composites compared to pure PEO. Standard deviation was obtained by repeating the measurements three times.</p>
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<p>Loss tangent (tan(δ)) as a function of angular frequency for pure PEO and lignin-modified PEO composites (40 wt.%, 64 wt.%, and 88 wt.%) at (<b>a</b>) 80 °C and (<b>b</b>) 150 °C.</p>
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<p>Storage modulus G′ (<b>a</b>,<b>c</b>) and complex viscosity η∗ (<b>b</b>,<b>d</b>) of pure PEO and lignin-modified PEO composites (40 wt.%, 64 wt.%, and 88 wt.% PEO) at reference temperatures of 80 °C (<b>a</b>,<b>b</b>) and 150 °C (<b>c</b>,<b>d</b>) across various angular frequencies.</p>
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<p>Temperature profiles of lignin-modified PEO composites with varying PEO concentrations (40 wt.%, 64 wt.%, and 88 wt.%) under power inputs of (<b>a</b>) 10 W, (<b>b</b>) 15 W, and (<b>c</b>) 17.5 W. The graphs illustrate the temperature rise over time, highlighting the influence of PEO concentration on thermal response and heat absorption capabilities.</p>
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<p>Thermal distribution images of the lignin-modified PEO composite PCM with 64 wt.% PEO concentration at 17.5 W power input. (<b>a</b>) Infrared (IR) camera images showing uniform heat distribution across the PCM, indicating strong thermal adhesion and effective heat transfer between the PCM and heater. (<b>b</b>) Conventional camera images illustrating the material’s dimensional stability without significant deformation or sagging under prolonged heating.</p>
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16 pages, 5774 KiB  
Article
Niobium-Containing Phosphate Glasses Prepared by the Liquid-Phase Method
by Minori Takahashi, Shota Shiraki, Sungho Lee and Akiko Obata
Int. J. Mol. Sci. 2025, 26(1), 161; https://doi.org/10.3390/ijms26010161 - 27 Dec 2024
Viewed by 234
Abstract
Phosphate invert glasses (PIGs) have been attracting attention as materials for bone repair. PIGs have a high flexibility in chemical composition because they are composed of orthophosphate and pyrophosphate and can easily incorporate various ions in their glass networks. In our previous work, [...] Read more.
Phosphate invert glasses (PIGs) have been attracting attention as materials for bone repair. PIGs have a high flexibility in chemical composition because they are composed of orthophosphate and pyrophosphate and can easily incorporate various ions in their glass networks. In our previous work, incorporation of niobium (Nb) into melt-quench-derived PIGs was effective in terms of controlling their ion release, and Nb ions promoted the activity of osteoblast-like cells. In the present work, a liquid-phase method was used for synthesizing Nb-containing PIGs, as this method allows us to prepare a glass precursor solution at room temperature, which can be attributed to improved glass-shape design. Nb-containing PIGs were successfully prepared, and their ion release behavior was controlled by changing the Nb content in the PIGs. The functions of Nb varied according to its content. For example, in the case of PIGs containing a larger amount of Nb, Nb acted as both the network modifier and former while also inducing the formation of chain-like structures. These glasses possessed a gradual ion release in a tris-HCl buffer solution. Cotton-wool-like structured scaffolds were fabricated using the synthesized Nb-containing glass using a wet-spinning method. Because the scaffolds possess excellent flexibility and controllable ion release, they are good candidates for new biomaterials. Full article
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<p>XRD patterns of the samples.</p>
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<p>SEM images of the samples. (<b>a</b>–<b>f</b>) Low-magnified images; (<b>g</b>–<b>l</b>) high-magnified images: (<b>a</b>,<b>g</b>) 0 Nb; (<b>b</b>,<b>h</b>) 0.05 Nb; (<b>c</b>,<b>i</b>) 0.075 Nb; (<b>d</b>,<b>j</b>) 0.1 Nb; (<b>e</b>,<b>k</b>) 0.15 Nb; (<b>f</b>,<b>l</b>) 0.2 Nb.</p>
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<p>Raman spectra of the samples.</p>
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<p><sup>31</sup>P MAS-NMR results of the samples. (<b>a</b>) spectra; (<b>b</b>) fractured peak integrated portion of <span class="html-italic">Q</span><sub>P</sub><sup>0</sup>, <span class="html-italic">Q</span><sub>P</sub><sup>1</sup>, and <span class="html-italic">Q</span><sub>P</sub><sup>1</sup>-Nb.</p>
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<p>The ratio of released ions to total amount in samples during immersion in a tris-HCl buffer solution for 7 days: (<b>a</b>) P; (<b>b</b>) Nb; (<b>c</b>) Ca; (<b>d</b>) pH of the tris-HCl buffer solution.</p>
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<p>XRD patterns of the samples after immersion in tris-HCl buffer solution for 7 days.</p>
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<p>SEM images of the samples after immersion in tris-HCl buffer solution for 7 days. (<b>a</b>–<b>f</b>) Low-magnified images; (<b>g</b>–<b>l</b>) high-magnified images: (<b>a</b>,<b>g</b>) 0 Nb; (<b>b</b>,<b>h</b>) 0.05 Nb; (<b>c</b>,<b>i</b>) 0.075 Nb; (<b>d</b>,<b>j</b>) 0.1 Nb; (<b>e</b>,<b>k</b>) 0.15 Nb; (<b>f</b>,<b>l</b>) 0.2 Nb.</p>
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<p>SEM images of the samples after immersion in tris-HCl buffer solution for 7 days. (<b>a</b>–<b>f</b>) Low-magnified images; (<b>g</b>–<b>l</b>) high-magnified images: (<b>a</b>,<b>g</b>) 0 Nb; (<b>b</b>,<b>h</b>) 0.05 Nb; (<b>c</b>,<b>i</b>) 0.075 Nb; (<b>d</b>,<b>j</b>) 0.1 Nb; (<b>e</b>,<b>k</b>) 0.15 Nb; (<b>f</b>,<b>l</b>) 0.2 Nb.</p>
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<p>Fibrous scaffolds consisting of a 0.2 Nb-PVA composite: (<b>a</b>) appearance; (<b>b</b>) SEM image of a single fiber; (<b>c</b>) SEM image of a cross section of the fiber; (<b>d</b>–<b>f</b>) concentration of the ions released from the scaffold samples in the tris-HCl buffer solution; (<b>d</b>) P; (<b>e</b>)Nb; (<b>f</b>) Ca; (<b>g</b>) pH of tris-HCl buffer solution.</p>
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<p>Metabolic activity levels of MC3T3-E1 cells cultured on prepared fibrous samples.</p>
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<p>Calculated network connectivity of the samples.</p>
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20 pages, 5442 KiB  
Article
Analytical Modeling of Filling Times for Metal Hydride–Hydrogen Storage Tanks With and Without Heat Reaction Recovery
by Fatma Bouzgarrou, Sofiene Mellouli and Abdullah A. Faqihi
Energies 2025, 18(1), 54; https://doi.org/10.3390/en18010054 - 27 Dec 2024
Viewed by 266
Abstract
The analysis of metal hydride (MH) tanks requires numerical modeling, which can be complemented by analytical studies. These analytical studies are valuable for swiftly sizing efficient reservoirs intended for hydrogen or thermal energy storage systems. This study aims to develop an analytical model [...] Read more.
The analysis of metal hydride (MH) tanks requires numerical modeling, which can be complemented by analytical studies. These analytical studies are valuable for swiftly sizing efficient reservoirs intended for hydrogen or thermal energy storage systems. This study aims to develop an analytical model for estimating the filling time of various metal hydride–hydrogen storage tanks under two conditions, with and without heat reaction recovery, utilizing phase change material (PCM). Four scenarios of the metal hydride tank are considered: (i) one with an external electrical drum heater, (ii) one with an external heat transfer fluid, (iii) one with a PCM jacket, and (iv) one with a sandwiched MH-PCM configuration. Furthermore, this study investigates the influence of the MH tank design, geometric parameters (dimensions, geometry), and operational conditions (pressure and temperature) on the filling time. Overall, this investigation offers a basis for calculating the filling times of various metal hydride–hydrogen storage tank types, enabling well-informed design and system optimization decisions. Full article
(This article belongs to the Topic Hydrogen Energy Technologies, 2nd Edition)
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<p>Configuration 1, the metal hydride tank with an electric drum heater that maintains the wall temperature, showing the contour of the reacted fraction front and the temperature profile.</p>
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<p>Configuration 1, effect of the imposed wall temperature and the equilibrium temperature on the filling time.</p>
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<p>Configuration 1, effect of the hydrogen pressure and the radius <span class="html-italic">R</span> of the MH tank on the filling time.</p>
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<p>Configuration 1, effect of the MH thermal conductivity and the equilibrium temperature on the filling time.</p>
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<p>Configuration 2, the metal hydride tank with external heat transfer fluid, showing the contour of the reacted fraction front.</p>
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<p>Configuration 2, effect of the supplied hydrogen pressure and the convective heat transfer coefficient on the filling time.</p>
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<p>Configuration 3, the metal hydride tank with a PCM jacket, showing the contour of the reacted fraction front.</p>
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<p>Configuration 3, effect of the radius <span class="html-italic">R</span><sub>1</sub> of the MH tank on the filling time for different hydrogen pressures.</p>
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<p>Configuration 4, the metal hydride tank with sandwiched MH-PCM, showing the contour of the reacted fraction front.</p>
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<p>(<b>a</b>) Effect of the PCM melting temperature and the MH tank radius on the filling time, (<b>b</b>) effect of the thermal conductivity ratio <math display="inline"><semantics> <mrow> <mstyle scriptlevel="0" displaystyle="true"> <mfrac> <mrow> <msub> <mrow> <mi>λ</mi> </mrow> <mrow> <mi>P</mi> <mi>C</mi> <mi>M</mi> </mrow> </msub> </mrow> <mrow> <msub> <mrow> <mi>λ</mi> </mrow> <mrow> <mi>M</mi> <mi>H</mi> </mrow> </msub> </mrow> </mfrac> </mstyle> </mrow> </semantics></math> on the wall temperature and the filling time.</p>
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