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Insight into structures and electronic states of connected (n/n−1, 0) carbon nanotubes: Implications from a SCC-DFTB algorithm
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-11-22 DOI: 10.1007/s10853-024-10451-8
Lina Wei, Yang Cui, Lin Zhang
{"title":"Insight into structures and electronic states of connected (n/n−1, 0) carbon nanotubes: Implications from a SCC-DFTB algorithm","authors":"Lina Wei,&nbsp;Yang Cui,&nbsp;Lin Zhang","doi":"10.1007/s10853-024-10451-8","DOIUrl":"10.1007/s10853-024-10451-8","url":null,"abstract":"<div><p>A self-consistent density functional tight binding (SCC-DFTB) algorithm is performed to investigate geometries and electronical structures of bamboo-like (n/n-1,0) carbon nanotube through connecting (n-1,0) and (n,0) zigzag carbon nanotube. The connection tubes are characterized by packing geometries, bond length, intrinsic energy, energy gap, chemical potential, Mulliken populations, charge density differences, and molecular orbitals at HOMO and LUMO energy levels. These simulation results present significant differences compared to straight carbon nanotubes. Charge density differences suggest the bonding changes among the carbon atoms of the tubes having different diameters. The charge amount gained or lost can occur among the atoms at the junction in the small diameter tubes, while the gained or lost charge mainly occurs on the eight carbon atoms in the \"heart\" octagon in the large diameter ones. There are significant differences in HOMOs and LUMOs in the tubes with small chiral indexes. The HOMOs of the tubes with large chiral index are different from the LUMOs at the junction. The present simulations provide helpful support for developing novel molecular devices, which may be used in the field of light, corrosion resistance, and efficient microwave absorbents.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div><p>Self-consistent density functional tight binding (SCC-DFTB) algorithm is performed to investigate the connection of (<i>n</i>, 0) and (<i>n</i>−1, 0) carbon nanotubes.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 46","pages":"21333 - 21347"},"PeriodicalIF":3.5,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142754018","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Molecular dynamic simulation on the anisotropic tensile properties of the calcium silicate hydrate enhanced by graphene oxide
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-11-22 DOI: 10.1007/s10853-024-10448-3
Shuaijie Lu, Weiqiang Chen, Yuan Gao, Jun Zhang, Ziyu Zhang, Ziru Xiang
{"title":"Molecular dynamic simulation on the anisotropic tensile properties of the calcium silicate hydrate enhanced by graphene oxide","authors":"Shuaijie Lu,&nbsp;Weiqiang Chen,&nbsp;Yuan Gao,&nbsp;Jun Zhang,&nbsp;Ziyu Zhang,&nbsp;Ziru Xiang","doi":"10.1007/s10853-024-10448-3","DOIUrl":"10.1007/s10853-024-10448-3","url":null,"abstract":"<div><p>Benefiting from its superior mechanical properties, abundant oxygen-containing functional groups and ultrahigh specific surface area, graphene oxide (GO) can effectively strengthen cement-based materials. However, the calcium silicate hydrate (C–S–H), as the most significant binding phase in cement, has apparent anisotropy characteristics. The enhancement of GO on the tensile performance of C–S–H in different directions requires to be revealed. Hence, in this work, the molecular dynamic simulation was applied to study the influence of GO in different directions on the tensile properties of C–S–H composites and the corresponding reinforcing mechanisms. The results demonstrate that the GO nanosheets incorporated in parallel water layers can reinforce the ductility of C–S–H, with the tensile strain energy density increasing up to about 43.9%. The structural characteristics demonstrate that the GO nanosheets incorporated in parallel water layers significantly change the C–S–H failure mode, whose initial failure diffuses from the GO surface. By contrast, the failure mode of plain C–S–H composites is diffused from the high-stress zone. Nevertheless, when GO nanosheets are incorporated in the vertical water layer direction, the destruction form of the C–S–H composite changes little, with the tensile strain energy density only increasing by 11.9%. The energy evolution characteristics verify that the external work of GO nanosheets added in the parallel water layer is increased by about 53.4%, about 2.4 times higher than that of GO nanosheets added in the vertical water layer. The findings of the study not only promote boarder understanding of GO-reinforced cementitious composite but also assist nanomodification cement design in the future.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 46","pages":"21362 - 21376"},"PeriodicalIF":3.5,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142754255","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Solvent-cast 4D printing and characterization of styrene-ethylene-butylene-styrene-based magnetorheological elastomeric material
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-11-21 DOI: 10.1007/s10853-024-10442-9
Arun Kumar, Pulak Mohan Pandey, Sunil Jha, Shib Shankar Banerjee
{"title":"Solvent-cast 4D printing and characterization of styrene-ethylene-butylene-styrene-based magnetorheological elastomeric material","authors":"Arun Kumar,&nbsp;Pulak Mohan Pandey,&nbsp;Sunil Jha,&nbsp;Shib Shankar Banerjee","doi":"10.1007/s10853-024-10442-9","DOIUrl":"10.1007/s10853-024-10442-9","url":null,"abstract":"<div><p>Magnetorheological elastomers (MREs), consisting of elastomers or thermoplastic elastomers (TPEs) as the soft matrix, are smart functional materials gaining attention in a wide variety of fields. TPEs offers several advantages such as easy processability and requirement of lesser additives, but their additive manufacturing using fused deposition modelling is challenging due to filament buckling and poor layer coalescence. Thus, this work presents the additive manufacturing of smart MREs consisting of spherical carbonyl iron powder (CIP) particles incorporated in styrene-ethylene-butylene-styrene (SEBS) block copolymer matrix using solvent-cast 4D (SC-4D) printing. The effect of varying filler amount on the physicomechanical and electrical characteristics of additively manufactured samples was investigated. Shore hardness and density of the MRE samples increased consistently with an increase in CIP content. However, density deviated significantly from the theoretical density beyond critical filler content (&gt; 60 wt%). Tensile strength improved with CIP content up to 30 wt% and reduced on further increase in filler content. Elastic modulus predicted from six different theoretical models was compared with experimental results. The predictions deviated significantly from the experimental observations at higher filler contents due to complex particle–particle and particle–matrix interactions. Shrinkage and morphology analysis revealed that an increase in CIP content decreased the shrinkage and improved the shape stability of the samples. Electrical conductivity of the MRE samples was found to be close to neat SEBS sample below percolation threshold (~ 50 wt%). Beyond percolation threshold, electrical conductivity increased dramatically. Finally, the actuation capability of the flexible grippers was demonstrated in the presence of an external magnetic field.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 46","pages":"21556 - 21580"},"PeriodicalIF":3.5,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142754013","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Corrosion behavior of dual-phase Fe36Ni36Al17Cr10Mo1 multi-principal component alloy in LiCl–KCl–CsCl molten salt at 700 °C
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-11-21 DOI: 10.1007/s10853-024-10435-8
Xiaoming Liu, Fengyang Quan, Xiao Zeng, Wei Li, Yidan Yuan, Jianbin Wang, Zhijun Wang, Junjie Li, Feng He, Jincheng Wang
{"title":"Corrosion behavior of dual-phase Fe36Ni36Al17Cr10Mo1 multi-principal component alloy in LiCl–KCl–CsCl molten salt at 700 °C","authors":"Xiaoming Liu,&nbsp;Fengyang Quan,&nbsp;Xiao Zeng,&nbsp;Wei Li,&nbsp;Yidan Yuan,&nbsp;Jianbin Wang,&nbsp;Zhijun Wang,&nbsp;Junjie Li,&nbsp;Feng He,&nbsp;Jincheng Wang","doi":"10.1007/s10853-024-10435-8","DOIUrl":"10.1007/s10853-024-10435-8","url":null,"abstract":"<div><p>Molten chloride salts with good heat capacity, thermal conductivity, high thermal stability and broader temperature range play a vital role in improving the thermal conversion efficiency of the concentrated solar power plant. However, the dissolution of active elements caused by the Cl<sup>−</sup> and impurities severely affects the service time of structural materials and hinders the application of the power plant. Multi-principal components alloy with excellent mechanical properties, good oxidation and corrosion resistance are expected to be applied in molten chloride salts at high temperature. To investigate the corrosion behavior of the dual-phase Fe<sub>36</sub>Ni<sub>36</sub>Al<sub>17</sub>Cr<sub>10</sub>Mo<sub>1</sub> alloy at different time (48, 96, 144, 192 and 240 h), immersion test was conducted at 700 ℃ in a ternary LiCl–KCl–CsCl molten salt. By analyzing the optical microscope (OM), scanning electron microscopy (SEM) and X-ray diffraction (XRD) results and the standard Gibbs free energy, three corrosion stages (oxidation–dissolution–corrosion) over time were drawn. Active elements such as Al and Cr oxidized first and then experienced dissolution in the acidic environment. After the oxides were depleted, the bare metal started to corrode, and many defects formed on the surface of the alloy, causing severe corrosion. However, for the low corrosion ability of LiCl–KCl–CsCl molten salts, the alloy exhibited excellent performance with corrosion rate of 274.9 μm/y and corrosion depth of 5.52 μm after 240 h, and there was no obvious preferential corrosion of the B2 phase. This work studied the corrosion process of the Fe<sub>36</sub>Ni<sub>36</sub>Al<sub>17</sub>Cr<sub>10</sub>Mo<sub>1</sub> alloy in LiCl–KCl–CsCl molten salt., which may provide certain guiding implications for industrial applications.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 46","pages":"21433 - 21447"},"PeriodicalIF":3.5,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142754016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effects of layer thickness ratio on residual stress, microstructure and mechanical properties of TiB2-TiC/TiB2-TiN laminated ceramics
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-11-21 DOI: 10.1007/s10853-024-10117-5
Zongzhe Yang, Jiaojiao Gao, Jinpeng Song, Yao Wang
{"title":"Effects of layer thickness ratio on residual stress, microstructure and mechanical properties of TiB2-TiC/TiB2-TiN laminated ceramics","authors":"Zongzhe Yang,&nbsp;Jiaojiao Gao,&nbsp;Jinpeng Song,&nbsp;Yao Wang","doi":"10.1007/s10853-024-10117-5","DOIUrl":"10.1007/s10853-024-10117-5","url":null,"abstract":"<div><p>TiB<sub>2</sub>-TiC/TiB<sub>2</sub>-TiN (TC/TN) laminated ceramics were fabricated, and effects of layer thickness ratio (LTR) on their residual stress, microstructure and mechanical properties were investigated. Residual compressive stress (RCS) and residual tensile stress distributed alternately with the alternation of TC and TN; with an increase in the LTR, the RCS decreased. The fracture mode of the ceramic consisted of transgranular fracture and intergranular fracture. Compared with the TN, the TC had less micro-void defects. With the LTR increasing, the fracture mode of the TC or TN was almost unchanged, and the variation of the number of microdefects was small; Vickers hardness (VH) and fracture toughness (FT) declined, while flexural strength (FS) first improved and then declined; at the same LTR, the TC had better VH and FT than the TN. When the LTR was 0.75, this ceramic had better comprehensive mechanical properties: VH of the TC and TN was 20.9 ± 0.2 GPa and 16.3 ± 0.3 GPa, respectively; FT of the TC and TN was 6.5 ± 0.1 MPa·m<sup>1/2</sup> and 6.1 ± 0.2 MPa·m<sup>1/2</sup>, respectively; and FS was 748 ± 12 MPa. For TiB<sub>2</sub>-based ceramics, this research to a certain extent played a great role on the road of exploration for improving their properties.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 46","pages":"21251 - 21264"},"PeriodicalIF":3.5,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142754014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Phyto- and zoomass-derived nanostructured carbon as efficient catalysts for oxygen reduction reaction in fuel cells: a review
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-11-21 DOI: 10.1007/s10853-024-10405-0
Snigdha Toms, Akshaya S Nair, P Parnika, Elsa Mary Mathew, R Imran Jafri
{"title":"Phyto- and zoomass-derived nanostructured carbon as efficient catalysts for oxygen reduction reaction in fuel cells: a review","authors":"Snigdha Toms,&nbsp;Akshaya S Nair,&nbsp;P Parnika,&nbsp;Elsa Mary Mathew,&nbsp;R Imran Jafri","doi":"10.1007/s10853-024-10405-0","DOIUrl":"10.1007/s10853-024-10405-0","url":null,"abstract":"<p>The oxygen reduction reaction (ORR) plays a pivotal role in several energy storage and conversion technologies, including metal-air batteries, microbial fuel cells, and low-temperature hydrogen and alcohol fuel cells. Fuel cells, in particular, have gained significant traction as a feasible alternative energy source due to their efficiency, cleanliness, adaptability, and ability to reuse exhaust heat. However, the complex nature of ORR requires highly efficient electrocatalysts for optimal fuel cell performance. While Pt-based electrocatalysts are widely regarded as the most suitable for both the cathode and anode in fuel cells, their high cost, scarcity, and susceptibility to fuel crossover have driven the search for alternative ORR catalysts. In this context, carbon materials have emerged as promising candidates due to their low cost, long-term stability, and strong electrocatalytic activity. Recent advancements in biomass-derived carbon nanostructures align with the global push for sustainable energy and a pollution-free environment. This review examines carbon structures derived from the carbonization of plant and animal biomass and evaluates their performance as noble metal supports, non-noble metal electrocatalysts, and metal-free electrocatalysts for ORR.</p>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 46","pages":"21191 - 21221"},"PeriodicalIF":3.5,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142753992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Microstructure, wear and corrosion resistance of laser-cladding Fe-based coatings on agricultural machinery tools
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-11-21 DOI: 10.1007/s10853-024-09709-y
Xinna Cao, Hua Yu, Haoqiang Zhang, Tao Jiang, Xin Jin, Weimin Long, Danqing Yin, Ruijun Wang, Kunming Pan, Cheng Zhang
{"title":"Microstructure, wear and corrosion resistance of laser-cladding Fe-based coatings on agricultural machinery tools","authors":"Xinna Cao,&nbsp;Hua Yu,&nbsp;Haoqiang Zhang,&nbsp;Tao Jiang,&nbsp;Xin Jin,&nbsp;Weimin Long,&nbsp;Danqing Yin,&nbsp;Ruijun Wang,&nbsp;Kunming Pan,&nbsp;Cheng Zhang","doi":"10.1007/s10853-024-09709-y","DOIUrl":"10.1007/s10853-024-09709-y","url":null,"abstract":"<div><p>In order to improve the wear and corrosion resistance of 60Si2Mn steel, two kinds of Fe-based alloy powders, X1 and X2, were deposited on the surface by laser cladding technology, and the microstructure, wear and corrosion resistance of the coatings were investigated. Results show that both coatings were mainly composed of α-Fe, with the structure of outer fine equiaxed dendrites and inner coarser mixed columnar dendrite and cellular grains. The average hardness, wear and corrosion resistance of the substrate were effectively improved after coating. Compared with the X2 coating, X1 coating showed a higher hardness of 860 HV and a better wear resistance, which was attributed to the existence of a higher content of carbide. However, due to the high Cr content and the higher reduction potential of Ni, X2 coating showed better corrosion resistance.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 46","pages":"21391 - 21404"},"PeriodicalIF":3.5,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142754015","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effects of the metastability of retained austenite on the variants pairing of deformation-induced martensite in a high-carbon quenching-partition-tempering steel
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-11-21 DOI: 10.1007/s10853-024-10411-2
Ye Chen, Wei Ding, Xingqi Jia, Wei Li, Na Min, Hongzhou Lu, Xuejun Jin
{"title":"Effects of the metastability of retained austenite on the variants pairing of deformation-induced martensite in a high-carbon quenching-partition-tempering steel","authors":"Ye Chen,&nbsp;Wei Ding,&nbsp;Xingqi Jia,&nbsp;Wei Li,&nbsp;Na Min,&nbsp;Hongzhou Lu,&nbsp;Xuejun Jin","doi":"10.1007/s10853-024-10411-2","DOIUrl":"10.1007/s10853-024-10411-2","url":null,"abstract":"<div><p>In this work, high-carbon steel (0.65% C) with multiphase microstructure consisting of tempered martensite with nanotwins, lower bainite, and filmy and blocky retained austenite (RA<sub>F</sub> and RA<sub>B</sub>) was produced by combining pretempering and quenching–partition–tempering (QPT) heat treatments. The total elongation and fracture toughness increased from 8.3% and 29 MPa /m<sup>1/2</sup> to 13.3% and 45 MPa/m<sup>1/2</sup>, whereas the ultimate tensile strength remained at approximately 2.3GPa with increasing partition time, which originated from the continuous transformation-induced plasticity (TRIP) effect and the local domain with high-density high-angle grain boundaries (HAGBs) during deformation-induced martensite transformation (DIMT). On the basis of detailed microstructural characterization, it was found that the formation of HAGB after deformation only evolves from unique martensite variant pairing selection with variant1(V1)/V2 (60°/[111]), which are promoted by plastic accommodation (<span>(sigma_{Y} /sigma_{{gamma to alpha^{prime}}})</span> &lt; 1) and suitable phase transformation driving force (<span>(Delta G_{mech})</span>) by strain-induced martensite transformation (SIMT) with factors including dislocation density, carbon content and grain size (less than 4 μm). Furthermore, a novel toughening method was proposed, that is, which consumes more energy for crack growth within the distorted crack propagation path via the generation of domains with high-density HAGBs with high-carbon content and refinement of the martensite block width via V1/V2 variant pairing selection during SIMT. Our findings provide insights into thermodynamics method to demonstrate the relationship between variant selection and the driving force for DIMT.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 46","pages":"21405 - 21432"},"PeriodicalIF":3.5,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142754012","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Y-Gd-Zn tri-doped BaCeO3-BaZrO3 proton conducting electrolytes with improved electrical and transport properties 具有更佳电气和传输特性的 Y-Gd-Zn 三掺杂 BaCeO3-BaZrO3 质子导电电解质
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-11-20 DOI: 10.1007/s10853-024-10347-7
Lixin Yang, Ying Li, Xinyu Cai, Xi Wang
{"title":"Y-Gd-Zn tri-doped BaCeO3-BaZrO3 proton conducting electrolytes with improved electrical and transport properties","authors":"Lixin Yang,&nbsp;Ying Li,&nbsp;Xinyu Cai,&nbsp;Xi Wang","doi":"10.1007/s10853-024-10347-7","DOIUrl":"10.1007/s10853-024-10347-7","url":null,"abstract":"<div><p>In this study, the BaCeO<sub>3</sub>-BaZrO<sub>3</sub> material was modified using an internal addition method of ZnO as a sintering aid. resulting in the synthesis of the Zn, Y and Gd triple-doped BaCe<sub>0.6</sub>Zr<sub>0.2-x</sub>Y<sub>0.15</sub>Gd<sub>0.05</sub>Zn<sub><i>x</i></sub>O<sub>3-δ</sub> (BCZYGZn<i>x</i>, <i>x</i> = 0, 0.02, 0.04, 0.06) materials. The impact of Zn doping as a sintering aid on the phase structure, microscopic morphology, electrical and transport properties of BCZYGZn<i>x</i> proton conductor materials were systematically investigated. The XRD results demonstrate that BCZYGZn<i>x</i> materials with a single perovskite structure have been successfully synthesized by the solid-phase reaction method. The SEM analysis results demonstrate that the introduction of Zn<sup>2+</sup> can markedly enhance the sintering performance of the materials. A comprehensive analysis of relaxation time distribution (DRT) and equivalent circuit scheme (ECS) was conducted to investigate the effects of temperature, test atmosphere and Zn doping concentration on the conductivity of BCZYGZn<i>x</i> materials. The results demonstrate that BCZYGZn0.04 material exhibits the highest conductivity of 9.25 × 10<sup>–3</sup> S cm<sup>−1</sup> at 700 °C under <i>p</i>H<sub>2</sub>O = 0.018 atm and <i>p</i>O<sub>2</sub> = 0.20 atm atmospheres. The proton transference number of the BCZYGZn<i>x</i> materials were calculated according to the defect equilibrium model and the results indicate that BCZYGZn0.04 material has a higher proton transference number, reaching 0.88 at 600 °C. Furthermore, the proton transference properties of the material are mainly affected by the water pressure and less by the oxygen partial pressure according to the predominant regions of proton conduction in diverse atmospheres. In conclusion, the Zn doping strategy enhances the electrical and transport properties of BaCeO<sub>3</sub>-BaZrO<sub>3</sub> materials.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 45","pages":"20944 - 20963"},"PeriodicalIF":3.5,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142737067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of die casting temperature on the microstructure and properties of the ZX01 zinc-aluminum alloy
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-11-20 DOI: 10.1007/s10853-024-10438-5
Jianjun Yang, Shiyang Yin, Qing Wu, Wei Zhang, Caihe Fan, Yulin Zhou, Yang Yang, Zhenghua Zhou, Wenjun Ling, Yangfang Zhan, Hai Peng, Edward Ghali
{"title":"Effect of die casting temperature on the microstructure and properties of the ZX01 zinc-aluminum alloy","authors":"Jianjun Yang,&nbsp;Shiyang Yin,&nbsp;Qing Wu,&nbsp;Wei Zhang,&nbsp;Caihe Fan,&nbsp;Yulin Zhou,&nbsp;Yang Yang,&nbsp;Zhenghua Zhou,&nbsp;Wenjun Ling,&nbsp;Yangfang Zhan,&nbsp;Hai Peng,&nbsp;Edward Ghali","doi":"10.1007/s10853-024-10438-5","DOIUrl":"10.1007/s10853-024-10438-5","url":null,"abstract":"<div><p>This study examines the effect of die casting temperature on the microstructure, mechanical properties, and corrosion resistance of the ZX01 zinc-aluminum alloy. The ZX01 zinc-aluminum alloy samples were produced using different die casting temperatures, and their microstructural characteristics were analyzed using a scanning electron microscope, X-ray diffractometer, transmission electron microscope, and electrochemical workstation. The results demonstrate that as the die casting temperature increases, the volume fraction of the primary η-Zn phase initially decreases. However, it is followed by a gradual increase in the fraction of the η-Zn + α-Al eutectoid structure. The flake spacing distribution of this eutectoid structure also becomes increasingly uniform. In particular, the ZX01 zinc-aluminum alloy die cast at 540 ℃ exhibits a highly uniform size distribution of the primary η-Zn phase, and the η-Zn + α-Al eutectoid structure shows a fine and consistent morphology. The recorded tensile strength, elongation, impact toughness, and hardness of the ZX01 zinc-aluminum alloy are 320.37 MPa, 10.07%, 79.28 J/cm<sup>2</sup>, and 96.56 HV, respectively. Furthermore, the self-corrosion potential and polarization resistance of the ZX01 zinc-aluminum alloy die cast at 540 ℃ were measured at -1.441 V and 593 Ω, respectively. Based on a comprehensive analysis of the microstructure and properties, it can be concluded that the optimal die casting temperature for preparing the ZX01 zinc-aluminum alloy is 540 ℃.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 46","pages":"21472 - 21493"},"PeriodicalIF":3.5,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142753990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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