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Structure–performance relationship of Au nanoclusters in electrocatalysis:Metal core and ligand structure
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作者 Bowen Li Lianmei Kang +3 位作者 Yongfeng Lun Jinli Yu Shuqin Song Yi Wang 《Carbon Energy》 SCIE EI CAS CSCD 2024年第8期63-89,共27页
Remarkable progress has characterized the field of electrocatalysis in recent decades,driven in part by an enhanced comprehension of catalyst structures and mechanisms at the nanoscale.Atomically precise metal nanoclu... Remarkable progress has characterized the field of electrocatalysis in recent decades,driven in part by an enhanced comprehension of catalyst structures and mechanisms at the nanoscale.Atomically precise metal nanoclusters,serving as exemplary models,significantly expand the range of accessible structures through diverse cores and ligands,creating an exceptional platform for the investigation of catalytic reactions.Notably,ligand‐protected Au nanoclusters(NCs)with precisely defined core numbers offer a distinct advantage in elucidating the correlation between their specific structures and the reaction mechanisms in electrocatalysis.The strategic modulation of the fine microstructures of Au NCs presents crucial opportunities for tailoring their electrocatalytic performance across various reactions.This review delves into the profound structural effects of Au NC cores and ligands in electrocatalysis,elucidating their underlying mechanisms.A detailed exploration of the fundamentals of Au NCs,considering core and ligand structures,follows.Subsequently,the interaction between the core and ligand structures of Au NCs and their impact on electrocatalytic performance in diverse reactions are examined.Concluding the discourse,challenges and personal prospects are presented to guide the rational design of efficient electrocatalysts and advance electrocatalytic reactions. 展开更多
关键词 Au nanoclusters CORE electrocatalytic performance LIGAND structureS
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Mechanism of enhancing NH_(3)-SCR performance of Mn-Ce/AC catalyst by the structure regulation of activated carbon with calcite in coal
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作者 NIU Jian LI Yuhang +4 位作者 BAI Baofeng WEN Chaolu LI Linbo ZHANG Huirong GUO Shaoqing 《燃料化学学报(中英文)》 北大核心 2026年第1期69-79,共11页
To elucidate the effect of calcite-regulated activated carbon(AC)structure on low-temperature denitrification performance of SCR catalysts,this work prepared a series of Mn-Ce/De-AC-xCaCO_(3)(x is the calcite content ... To elucidate the effect of calcite-regulated activated carbon(AC)structure on low-temperature denitrification performance of SCR catalysts,this work prepared a series of Mn-Ce/De-AC-xCaCO_(3)(x is the calcite content in coal)catalysts were prepared by the incipient wetness impregnation method,followed by acid washing to remove calcium-containing minerals.Comprehensive characterization and low-temperature denitrification tests revealed that calcite-induced structural modulation of coal-derived AC significantly enhances catalytic activity.Specifically,NO conversion increased from 88.3%of Mn-Ce/De-AC to 91.7%of Mn-Ce/De-AC-1CaCO_(3)(210℃).The improved SCR denitrification activity results from the enhancement of physicochemical properties including higher Mn^(4+)content and Ce^(4+)/Ce^(3+)ratio,an abundance of chemisorbed oxygen and acidic sites,which could strengthen the SCR reaction pathways(richer NH_(3)activated species and bidentate nitrate active species).Therefore,NO removal is enhanced. 展开更多
关键词 CALCITE activated carbon structure Mn-Ce/AC catalyst NH_(3)-SCR performance
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From microstructure to performance optimization:Innovative applications of computer vision in materials science
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作者 Chunyu Guo Xiangyu Tang +10 位作者 Yu’e Chen Changyou Gao Qinglin Shan Heyi Wei Xusheng Liu Chuncheng Lu Meixia Fu Enhui Wang Xinhong Liu Xinmei Hou Yanglong Hou 《International Journal of Minerals,Metallurgy and Materials》 2026年第1期94-115,共22页
The rapid advancements in computer vision(CV)technology have transformed the traditional approaches to material microstructure analysis.This review outlines the history of CV and explores the applications of deep-lear... The rapid advancements in computer vision(CV)technology have transformed the traditional approaches to material microstructure analysis.This review outlines the history of CV and explores the applications of deep-learning(DL)-driven CV in four key areas of materials science:microstructure-based performance prediction,microstructure information generation,microstructure defect detection,and crystal structure-based property prediction.The CV has significantly reduced the cost of traditional experimental methods used in material performance prediction.Moreover,recent progress made in generating microstructure images and detecting microstructural defects using CV has led to increased efficiency and reliability in material performance assessments.The DL-driven CV models can accelerate the design of new materials with optimized performance by integrating predictions based on both crystal and microstructural data,thereby allowing for the discovery and innovation of next-generation materials.Finally,the review provides insights into the rapid interdisciplinary developments in the field of materials science and future prospects. 展开更多
关键词 MICROstructure deep learning computer vision performance prediction image generation
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Seismic design and performance of building structures with self-centering steel-concrete hybrid single-pier coupled walls
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作者 Mojtaba Farahi Fabio Freddi Massimo Latour 《Resilient Cities and Structures》 2026年第1期85-101,共17页
In response to the demand for seismic-resilient structures,various innovative solutions have emerged to reduce local damage and residual deformations,facilitating repair operations in the aftermath of high-intensity e... In response to the demand for seismic-resilient structures,various innovative solutions have emerged to reduce local damage and residual deformations,facilitating repair operations in the aftermath of high-intensity earth-quakes.This paper examines the seismic performance of a steel-concrete hybrid wall system equipped with a selfcentering solution to mitigate earthquake-induced residual deformations.The considered hybrid system includes a Reinforced Concrete(RC)shear wall with two steel side columns connected by coupling steel beams.In this study,a novel type of coupling beams featuring a friction-damped self-centering system is implemented.The system is referred to as Self-Centering Hybrid Single-Pier Coupled Wall(SC-SP-HCW)and aims to minimize damage and residual deformations after earthquakes,which in turn facilitates repairs and enhances seismic resilience.Unlike conventional self-centering coupling beams with post-tensioned tendons,the self-centering configuration in this system does not rely on a gap-opening mechanism at the wall-beam connection interface,eliminating frame expansion effects.The proposed self-centering devices can also be implemented as preassembled links,which facilitates installation and reduces uncertainties associated with the on-site posttensioning procedure.The seismic performance of SC-SP-HCWs is investigated through nonlinear static and incremental dynamic analyses on case study SC-SP-HCWs designed as the lateral load-resisting systems of an eight-story building.The seismic response of the case study SC-SP-HCWs is investigated,considering both local and global engineering demand parameters(EDPs).The results demonstrate the ability of the SC-SP-HCWs to significantly reduce earthquake-induced residual deformations without exacerbating damage to structural ele-ments typically observed in conventional coupled walls. 展开更多
关键词 Hybrid coupled walls Damage-free self-centering links Friction devices Seismic performance Reinforced concrete walls
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Rationally designed nickel-cobalt oxide/sulfide heterostructure for high-performance oxygen evolution reaction and anion exchange membrane water electrolysis
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作者 Hyeonji Kwon Hyeongseok Seo +3 位作者 Siyeon Kang Sang Eun Shim Kyeongseok Min Sung-Hyeon Baeck 《Journal of Energy Chemistry》 2026年第1期955-966,I0021,共13页
To realize the practical application of anion exchange membrane water electrolysis(AEMWE),it is essential to develop highly active,durable,and cost-effective electrocatalyst for oxygen evolution reaction(OER).Herein,w... To realize the practical application of anion exchange membrane water electrolysis(AEMWE),it is essential to develop highly active,durable,and cost-effective electrocatalyst for oxygen evolution reaction(OER).Herein,we report a hollow-structured Ni_(x)Co_(1−x)O/Ni_(3)S_(2)/Co_(9)S_(8)heterostructure synthesized via sequential template-assisted growth,thermal oxidation,and controlled sulfidation process.The abundant bimetallic heterointerfaces not only provide additional active sites but also promote electronic modulation via charge redistribution.Additionally,the porous and hollow architecture enhances active surface area and mass transfer ability,thereby increasing the number of accessible active sites for alkaline OER.As a result,the prepared electrocatalyst achieves low overpotential of 310 mV at 10 mA cm^(−2)and small Tafel slope of 55.94 mV dec^(−1),demonstrating the exceptional electrocatalytic performance for alkaline OER.When integrated as the anode in an AEMWE cell,it delivers outstanding performance with only 1.657 V at 1.0 A cm^(−2)and reaches high current density of 5.0 A cm^(−2)at 1.989 V,surpassing those of commercial RuO_(2).The cell also shows excellent long-term durability over 100 h with minimal degradation.This study highlights the strong potential of rationally engineered oxide/sulfide heterostructures for next-generation alkaline water electrolysis. 展开更多
关键词 AEMWE Oxygen evolution reaction Transition metal HETEROINTERFACE Hollow structure
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Design of dual-network structure based on coordination bonds and hydrogen bonds for high-performance multifunctional flexible gel absorbers
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作者 Xinyue Xie Zijing Li +3 位作者 Shusheng Wang Geng Chen Limin Zhang Hongjing Wu 《International Journal of Minerals,Metallurgy and Materials》 2026年第2期693-703,共11页
The emergence of precision electronic devices and wearable electronic products urgently requires high-performance multifunctional electromagnetic wave(EMW)absorbers to meet the applicability and versatility in various... The emergence of precision electronic devices and wearable electronic products urgently requires high-performance multifunctional electromagnetic wave(EMW)absorbers to meet the applicability and versatility in various applications.Herein,a dual-network(DN)gel was successfully prepared using acrylamide and sodium lignosulphonate as the basic units by simple chemical cross-linking and physical cross-linking methods.Specifically,the hydrogel forms two types of cross-linking networks through metal coordination and hydrogen bonding.Benefiting from the combined effects of dipole polarization and conductivity loss,the gel achieves an effective absorption bandwidth(EAB)of 6.74 GHz at a thickness of only 1.89 mm,demonstrating excellent EMW absorption performance.In addition,this unique structural configuration endows the EMW absorber with multifunctional features,such as remarkable tensile strength,good environmental compatibility,ultraviolet(UV)resistance,and excellent adhesion.Integrating multiple functional features into the EMW gels displays a broad application prospect in a variety of application scenarios.This research reveals the significance of DN structure design in the electromagnetic wave absorption(EWA)performance of gel-based materials,providing a substantial foundation for the multifunctional design of gel-based absorbers. 展开更多
关键词 electromagnetic wave absorbers dual-network structure polarization loss hydrogen bonds coordination bonds multifunc-tional characteristics
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Dual-regulation tailoring of tunnel-structured hexagonal tungsten oxide for high-performance ammonium-ion hybrid supercapacitors
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作者 Guochuang Tian Shuang Luo +4 位作者 Jinglv Feng Yina Xiang Hui Zhou Bingsuo Zou Jien Li 《Journal of Energy Chemistry》 2026年第1期261-273,I0007,共14页
Ammonium-ion hybrid supercapacitors(A-HSCs)have emerged as promising candidates for next-generation energy storage owing to their inherent safety and environmental sustainability.Hexagonal tungsten oxide(h-WO_(3)),wit... Ammonium-ion hybrid supercapacitors(A-HSCs)have emerged as promising candidates for next-generation energy storage owing to their inherent safety and environmental sustainability.Hexagonal tungsten oxide(h-WO_(3)),with its well-defined tunnel structure,holds great promise as a negative electrode material for NH^(4+)storage.However,its practical application is hindered by structural instability and poor intrinsic electrical conductivity.To address these challenges,a dual-regulation strategy is proposed,integrating molybdenum(Mo)doping and NH^(4+)pre-intercalation to concurrently optimize the tunnel structure and electronic environment of h-WO_(3)(Mo-NWO).Comprehensive experimental and theoretical analyses reveal that Mo doping narrows the bandgap of WO_(3)and reduces the diffusion energy barrier,thereby accelerating NH^(4+)adsorption and diffusion.Simultaneously,NH^(4+)pre-intercalation stabilizes the tunnel framework via hydrogen bonding,ensuring structural reversibility.As expected,the Mo-NWO/AC electrode achieves a high areal capacitance of 13.6 F cm^(−2)at 5 mA cm^(−2)and retains 80.14%of its capacitance after 5000 cycles,demonstrating exceptional rate capability and cycling stability.Moreover,the assembled Mn_(3)O_(4)//Mo-NWO/AC device delivers a high energy density of 3.41 mWh cm^(−2)and outstanding long-term stability(85.75%retention after 12,000 cycles).This work provides a viable strategy for designing high-performance NH^(4+)storage materials and advances the development of sustainable energy storage systems. 展开更多
关键词 Ammonium-ion supercapacitors Mo-doping Hexagonal tungsten trioxide NH^(4+)storage mechanism structural stability
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Gyroid-structured SiOC composite with excellent broadband microwave absorption and load-bearing performance
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作者 Hanjun Wei Siyu Chen +5 位作者 Zhiyong Chen Lu Tang Jimei Xue Cunxian Wang Zhijun Wang Ying Li 《Defence Technology(防务技术)》 2026年第1期277-288,共12页
Designing materials with both structural load-bearing capacity and broadband electromagnetic(EM)wave absorption properties remains a significant challenge.In this work,SiOC/SiC/SiO_(2)composite with gyroid structures ... Designing materials with both structural load-bearing capacity and broadband electromagnetic(EM)wave absorption properties remains a significant challenge.In this work,SiOC/SiC/SiO_(2)composite with gyroid structures were prepared through digital light processing(DLP)3D printing,polymer-derived ceramics(PDCs),chemical vapor infiltration(CVI),and oxidation technologies.The incorporation of the CVISiC phase effectively increases the dissipation capability,while the synergistic interaction between the gyroid structure and SiO_(2)phase significantly improves impedance matching performance.The SiOC/SiC/SiO_(2)composite achieved a minimum reflection loss(RL min)of-62.2 d B at 4.3 mm,and the effective absorption bandwidth(EAB)covered the X-band,with a thickness range of 4.1 mm-4.65 mm.The CST simulation results explain the broadband and low-frequency absorption characteristics,with an EAB of 8.4 GHz(9.6-18 GHz)and an RL min of-21.5 dB at 5 GHz.The excellent EM wave attenuation performance is associated primarily with polarization loss,conduction loss,the gyroid structure's enhancement of multiple reflections and scattering of EM waves,and the resonance effect between the structural units.The SiOC/SiC/SiO_(2)composite also demonstrated strong mechanical properties,with a maximum compressive failure strength of 31.6 MPa in the height direction.This work opens novel prospects for the development of multifunctional structural wave-absorbing materials suitable for broadband microwave absorption and load-bearing properties. 展开更多
关键词 Digital light processing Gyroid structure SiOC/SiC/SiO_(2)composite Microwave absorption Load-bearing properties
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Insights into the effect of Y substitution on superlattice structure and electrochemical performance of A_(5)B_(19)-type La-Mg-Ni-based hydrogen storage alloy for nickel metal hydride battery 被引量:6
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作者 Yanan Guo Wenfeng Wang +5 位作者 Huanhuan Su Hang Lu Yuan Li Qiuming Peng Shumin Han Lu Zhang 《Journal of Materials Science & Technology》 2025年第4期60-69,共10页
La-Mg-Ni-based hydrogen storage alloys with superlattice structures are the new generation anode material for nickel metal hydride(Ni-MH)batteries owing to the advantages of high capacity and exceptional activation pr... La-Mg-Ni-based hydrogen storage alloys with superlattice structures are the new generation anode material for nickel metal hydride(Ni-MH)batteries owing to the advantages of high capacity and exceptional activation properties.However,the cycling stability is not currently satisfactory enough which plagues its application.Herein,a strategy of partially substituting La with the Y element is proposed to boost the capacity durability of La-Mg-Ni-based alloys.Furthermore,phase structure regulation is implemented simultaneously to obtain the A5 B19-type alloy with good crystal stability specifically.It is found that Y promotes the phase formation of the Pr5 Co19-type phase after annealing at 985℃.The alloy containing Y contributes to the superior rate capability resulting from the promoted hydrogen diffusion rate.Notably,Y substitution enables strengthening the anti-pulverization ability of the alloy in terms of increasing the volume match between[A_(2)B_(4)]and[AB5]subunits,and effectively enhances the anti-corrosion ability of the alloy due to high electronegativity,realizing improved long-term cycling stability of the alloy from 74.2%to 78.5%after cycling 300 times.The work is expected to shed light on the composition and structure design of the La-Mg-Ni-based hydrogen storage alloy for Ni-MH batteries. 展开更多
关键词 Nickel metal hydride battery Y element La-Mg-Ni-based alloy A5 B19-type superlattice structure Electrochemical performance
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Study on the seismic performance of buckling-restrained SPSW structure with butterfly-shaped links on the lateral sides 被引量:1
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作者 ZHOU Guangru LIU Han +3 位作者 LI Xiangmin CUI Shaoxian LENG Yubing HAN Chongqing 《Journal of Southeast University(English Edition)》 2025年第2期190-198,共9页
A buckling-restrained steel plate shear wall(BRSPSW)structure with butterfly-shaped links on the lateral sides is introduced to improve the cooperative perfor-mance between the BRSPSW and the boundary frames.A one-spa... A buckling-restrained steel plate shear wall(BRSPSW)structure with butterfly-shaped links on the lateral sides is introduced to improve the cooperative perfor-mance between the BRSPSW and the boundary frames.A one-span two-story concrete-filled steel tube(CFT)column frame specimen equipped with lateral-side butterfly-shaped linked BRSPSWs(LBL-BRSPSWs)is evaluated under low-cycle reversed loading.A finite element(FE)model is developed and validated based on the test results.This FE model accurately simulates the failure modes and load-dis-placement curves.Parametric analyses are conducted on the butterfly-shaped links.The results show that the interactions between the CFT column frame and LBL-BRSPSWs are sig-nificantly influenced by the width ratio of the butterfly-shaped links,while the taper ratio and aspect ratio have relatively minor influences.Compared with traditional steel shear walls with four-sided connections,LBL-BRSPSWs reduce the additional axial forces and bending moments in the frame columns by 28%to 73%and 17%to 87%,respectively,with only a 9%to 30%decrease in the lateral resistance.The experimental and parametric analysis results indicate that setting butterfly-shaped links on the lateral sides of BRSPSWs can significantly enhance their cooperative performance with the boundary frame.The butterfly-shaped link width ratio has a linear relationship with the lateral-resistance performance of the specimens and the additional internal forces in the frame columns.To ensure that LBL-BRSPSW fails prior to the column frames,the link width ratio should be optimized. 展开更多
关键词 steel plate shear wall structure seismic performance performance cooperative performance buckling-restrained steel plate shear wall butterfly-shaped link
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Microstructure,precipitates and resultant performance in CGHAZ of a high-Nb structural steel 被引量:1
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作者 Jing Zhang Wen-bin Xin +2 位作者 Deng-yun Hou Jun Peng Li-yong Wang 《Journal of Iron and Steel Research International》 2025年第8期2547-2563,共17页
The effect of high welding heat inputs in the range of 50–200 kJ/cm on the microstructural evolution,MX(M=Ti,Nb and V;X=N and C)precipitation and mechanical properties was investigated in the coarse-grained heat-affe... The effect of high welding heat inputs in the range of 50–200 kJ/cm on the microstructural evolution,MX(M=Ti,Nb and V;X=N and C)precipitation and mechanical properties was investigated in the coarse-grained heat-affected zone(CGHAZ)of a high-Nb(0.10 wt.%)structural steel.The results showed that the primary microconstituents varied from lath bainite(LB)to intragranular acicular ferrite(IAF)+intragranular polygonal ferrite(IPF),and the most content of IAF was acquired at 100 kJ/cm.Moreover,the submicron Ti-and Nb-rich MX precipitates not only pinned prior austenite grain boundaries but also facilitated IAF and IPF nucleation with the Kurdjumov–Sachs orientation relationship of[011]_(MX)//[111]_(Ferrite);the nanoscale V-rich MX precipitates hindered dislocation movement and followed the Baker–Nutting orientation relationship of[001]_(MX)//[001]_(Ferrite)with ferrite matrix,synergistically strengthening and toughening the CGHAZ.In addition,the−20℃impact absorbed energy firstly elevated from 93±5.2 J at 50 kJ/cm to 131±5.4 J at 100 kJ/cm and finally decreased to 59±3.0 J at 200 kJ/cm,being related to the IAF content,while the microhardness decreased from 312±26.1 to 269±12.9 HV0.1,because of the coarsened microstructure and the decreased content of LB and martensite.Compared to the CGHAZ properties with 0.05 wt.%Nb,a higher Nb content produced better low-temperature toughness,as more solid dissolved Nb atoms and precipitated Nb-rich MX particles in austenite limited prior austenite grain growth and promoted IAF formation.Furthermore,the welding process at 100 kJ/cm was most applicable for the high-Nb steel. 展开更多
关键词 High-Nb structural steel Welding heat input MICROstructure MX precipitate CGHAZ performance
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Progress on Microstructure and Performance Optimization in H/MEAs Regulated by Single and Hierarchical Heterostructures
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作者 Wang Bing Li Chunyan +2 位作者 Wang Xinhua Li Xiaocheng Kou Shengzhong 《稀有金属材料与工程》 北大核心 2025年第3期640-664,共25页
The development of high-performance structural and functional materials is vital in many industrial fields.High-and medium-entropy alloys(H/MEAs)with superior comprehensive properties owing to their specific microstru... The development of high-performance structural and functional materials is vital in many industrial fields.High-and medium-entropy alloys(H/MEAs)with superior comprehensive properties owing to their specific microstructures are promising candidates for structural materials.More importantly,multitudinous efforts have been made to regulate the microstructures and the properties of H/MEAs to further expand their industrial applications.The various heterostructures have enormous potential for the development of H/MEAs with outstanding performance.Herein,multiple heterogeneous structures with single and hierarchical heterogeneities were discussed in detail.Moreover,preparation methods for compositional inhomogeneity,bimodal structures,dualphase structures,lamella/layered structures,harmonic structures(core-shell),multiscale precipitates and heterostructures coupled with specific microstructures in H/MEAs were also systematically reviewed.The deformation mechanisms induced by the different heterostructures were thoroughly discussed to explore the relationship between the heterostructures and the optimized properties of H/MEAs.The contributions of the heterostructures and advanced microstructures to the H/MEAs were comprehensively elucidated to further improve the properties of the alloys.Finally,this review discussed the future challenges of high-performance H/MEAs for industrial applications and provides feasible methods for optimizing heterostructures to enhance the comprehensive properties of H/MEAs. 展开更多
关键词 heterogeneous structures H/MEAs HDI effect microstructure regulation performance optimization
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Effect of Pore Structure on Forming Quality and Performance of Mg-5Zn Magnesium Alloy Porous Bone Repair Scaffold Fabricated by SLM
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作者 Zhao Lun Sun Zhichao +3 位作者 Wang Chang Zhang Pengsheng Tang Shuai Zhang Baoxin 《稀有金属材料与工程》 北大核心 2025年第11期2717-2728,共12页
Four types of Mg-5Zn porous scaffolds with different pore geometries,including body-centered cubic(bcc),the rhombic dodecahedron(RD),gyroid(G),and primitive(P)types,were designed and fabricated using selective laser m... Four types of Mg-5Zn porous scaffolds with different pore geometries,including body-centered cubic(bcc),the rhombic dodecahedron(RD),gyroid(G),and primitive(P)types,were designed and fabricated using selective laser melting.Their forming quality,compression mechanical properties,and degradation behavior were investigated.Results indicate that the fabricated scaffolds exhibit good dimensional accuracy,and the surface chemical polishing treatment significantly improves the forming quality and reduces porosity error in porous scaffolds.Compared to the ones with rod structures(bcc,RD),the scaffolds with surface structures(G,P)have less powder particle adhesion.The G porous scaffold exhibits the best forming quality for the same design porosity.The predominant failure mode of scaffolds during compression is a 45°shear fracture.At a porosity of 75%,the compression property of all scaffolds meets the compressive property requirements of cancellous bone,while bcc and G structures show relatively better compression property.After immersion in Hank's solution for 168 h,the B-2-75% pore structure scaffold exhibits severe localized corrosion,with fractures in partial pillar connections.In contrast,the G-3-75% pore structure scaffold mainly undergoes uniform corrosion,maintaining structural integrity,and its corrosion rate and loss of compressive properties are less than those of the B-2-75%structure.After comparison,the G-pore structure scaffold is preferred. 展开更多
关键词 magnesium alloy porous bone repair scaffold selective laser melting pore structure forming quality mechanical property degradation performance
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Evolution of waterproof performance,mechanical properties,and microstructure in hydrophobically-modified geopolymer concrete during dry-wet cycles 被引量:1
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作者 Dongming YAN Yilu QIU +3 位作者 Rongfeng GAO Shikun CHEN Yi LIU Shengqian RUAN 《Journal of Zhejiang University-Science A(Applied Physics & Engineering)》 2025年第3期194-211,共18页
The waterproof performance,mechanical properties,chemical composition,microstructure,and pore structure of hydrophobically-modified geopolymer concrete are investigated before and after dry-wet cycles,to determine the... The waterproof performance,mechanical properties,chemical composition,microstructure,and pore structure of hydrophobically-modified geopolymer concrete are investigated before and after dry-wet cycles,to determine the long-term feasibility of using hydrophobically-modified geopolymer concrete in wet environments.We use two types of organic modifying agents:polydimethylsiloxane(PDMS)and sodium methyl siliconate(SMS).The experimental results show that incorporating 2%–6%PDMS or 5%–15%SMS can make the concrete hydrophobic,with water absorption and chloride transport rates decreasing by up to 94.3%.We also analyze the bonding modes of organic molecules and geopolymer gels,as well as their evolution mechanisms during dry-wet cycles.PDMS-modified geopolymer concrete is found to exhibit long-term waterproof performance that is not weakened by dry-wet cycles.This is attributed to the robust combination of organic components and the geopolymer gel skeleton formed through phase cross-linking.Meanwhile,PDMS-modified geopolymer concrete’s hydrophobicity,strength,and microstructure are essentially unaffected.In contrast,SMS-modified geopolymer concrete shows higher water sensitivity,although it does maintain efficient waterproof performance.Due to relatively low binding energy,the dry-wet cycles may lead to the detachment of some SMS molecules from the gel network,which results in a decrease of 18.6%in compressive strength and an increase of 37.6%in total porosity.This work confirms the utility of hydrophobically-modified geopolymer concrete as a building material for long-term service in wet environments,for instance,areas with frequent precipitation,or splash and tidal zones. 展开更多
关键词 Geopolymer concrete Hydrophobic modification Waterproof performance Mechanical property Microstructure analysis
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Insights into Structure-Activity Relationships between Y Zeolites and their n-C_(10)Hydrocracking Performances via Machine Learning Approaches 被引量:1
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作者 Qianli Ma Hong Nie +4 位作者 Ping Yang Jianqiang Liu Hongyi Gao Wei Wang Songtao Dong 《Chinese Journal of Catalysis》 2025年第4期187-196,共10页
Hydrocracking technology represents a crucial position in the conversion of heavy oil and the transformation development from oil refining to the chemical industry.The properties of catalysts are one of the key factor... Hydrocracking technology represents a crucial position in the conversion of heavy oil and the transformation development from oil refining to the chemical industry.The properties of catalysts are one of the key factors in the hydrocracking process.As the main acidic component of hydrocracking catalyst,the influence of zeolite properties on the reaction performance has been the focus of research.In this study,a series of NiMo/Al_(2)O_(3)-Y catalysts were prepared using different Y zeolites as acidic components,and their performances in the hydrocracking of n-C_(10)were also evaluated.The structure-activity relationship between Y zeolite and the cracking performance of n-C_(10)was investigated with machine learning.First,a database of the physical and chemical properties of Y zeolite and their performance was established,and the correlation analysis was also conducted.Parameters such as the cell constant,acid content,acid strength,B/L ratio,mesopore volume,micropore volume of Y zeolite,and the reaction temperature were selected as independent variables.The conversion of n-C_(10)and the ratios of products C_(3)/C_(7)and i-C_(4)/n-C_(4)were selected as dependent variables.A model was established by the random forest algorithm and a new zeolite was predicted based on it.The results of model prediction were in good agreement with the experimental results.The R^(2)of the n-C_(10)conversion,C_(3)/C_(7)ratio,and i-C_(4)/n-C_(4)ratio were 0.9866,0.9845,and 0.9922,and the minimum root mean square error values were 0.0163,0.101,and 0.0211,respectively.These results can provide reference for the development of high performance hydrocracking catalyst and technology. 展开更多
关键词 HYDROCRACKING Machine learning Y zeolite N-DECANE ACID Pore structure
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Molecular Structure Tailoring of Organic Spacers for High‑Performance Ruddlesden–Popper Perovskite Solar Cells
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作者 Pengyun Liu Xuejin Li +6 位作者 Tonghui Cai Wei Xing Naitao Yang Hamidreza Arandiyan Zongping Shao Shaobin Wang Shaomin Liu 《Nano-Micro Letters》 SCIE EI CAS 2025年第2期314-357,共44页
Layer-structured Ruddlesden–Popper(RP)perovskites(RPPs)with decent stability have captured the imagination of the photovoltaic research community and bring hope for boosting the development of perovskite solar cell(P... Layer-structured Ruddlesden–Popper(RP)perovskites(RPPs)with decent stability have captured the imagination of the photovoltaic research community and bring hope for boosting the development of perovskite solar cell(PSC)technology.However,two-dimensional(2D)or quasi-2D RP PSCs are encountered with some challenges of the large exciton binding energy,blocked charge transport and poor film quality,which restrict their photovoltaic performance.Fortunately,these issues can be readily resolved by rationally designing spacer cations of RPPs.This review mainly focuses on how to design the molecular structures of organic spacers and aims to endow RPPs with outstanding photovoltaic applications.We firstly elucidated the important roles of organic spacers in impacting crystallization kinetics,charge transporting ability and stability of RPPs.Then we brought three aspects to attention for designing organic spacers.Finally,we presented the specific molecular structure design strategies for organic spacers of RPPs aiming to improve photovoltaic performance of RP PSCs.These proposed strategies in this review will provide new avenues to develop novel organic spacers for RPPs and advance the development of RPP photovoltaic technology for future applications. 展开更多
关键词 Ruddlesden-Popper perovskites Low-dimensional perovskite solar cells Organic spacers Molecular structure Design strategies
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Effect of Magnetron Sputtered Gas on Microstructure and Hydrogen Adsorption Performance of ZrCoRE Films
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作者 Zhou Chao Ma Zhanji +2 位作者 Li Gang Yang Lamaocao Zhang Huzhong 《稀有金属材料与工程》 北大核心 2025年第6期1451-1456,共6页
ZrCoRE(RE denotes rare earth elements)non-evaporable getter films have significant applications in vacuum packaging of micro-electro mechanical system devices because of their excellent gas adsorption performance,low ... ZrCoRE(RE denotes rare earth elements)non-evaporable getter films have significant applications in vacuum packaging of micro-electro mechanical system devices because of their excellent gas adsorption performance,low activation temperature and environmental friendliness.The films were deposited using DC magnetron sputtering with argon and krypton gases under various deposition pressures.The effects of sputtering gas type and pressure on the morphology and hydrogen adsorption performance of ZrCoRE films were investigated.Results show that the films prepared in Ar exhibit a relatively dense structure with fewer grain boundaries.The increase in Ar pressure results in more grain boundaries and gap structures in the films.In contrast,films deposited in Kr display a higher density of grain boundaries and cluster structures,and the films have an obvious columnar crystal structure,with numerous interfaces and gaps distributed between the columnar structures,providing more paths for gas diffusion.As Kr pressure increases,the film demonstrates more pronounced continuous columnar structure growth,accompanied by deeper and wider grain boundaries.This structural configuration provides a larger specific surface area,which significantly improves the hydrogen adsorption speed and capacity.Consequently,high Ar and Kr pressures are beneficial to improve the adsorption performance. 展开更多
关键词 NEG film magnetron sputtering KRYPTON sputtering pressure hydrogen adsorption performance
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Outstanding fatigue performance of Mg-Gd-Zn-Zr alloy enriched with SFs rather than LPSO Structure
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作者 Yao Chen Fulin Liu +6 位作者 Yujuan Wu Liming Peng Lang Li Chao He Qiang Chen Yongjie Liu Qingyuan Wang 《Journal of Magnesium and Alloys》 2025年第1期90-100,共11页
Both solute-segregated long-period stacking ordered(LPSO)structure and stacking faults(SFs)are essential in strengthening rare-earth(RE)Mg alloys.Herein,LPSO-enriched Mg and SFs-enriched Mg are fabricated and comparab... Both solute-segregated long-period stacking ordered(LPSO)structure and stacking faults(SFs)are essential in strengthening rare-earth(RE)Mg alloys.Herein,LPSO-enriched Mg and SFs-enriched Mg are fabricated and comparably investigated for fatigue performances.During fatigue,the Mg nanolayers between LPSO lamellae or SFs act as the gliding channels of dislocations.However,SFs-enriched Mg exhibits outstanding fatigue strength due to solute strengthening within Mg nanolayers.Solute strengthening is assumed to contribute to the local accumulation of basal dislocations and the activation of non-basal dislocations.Dislocations are restricted locally and cannot glide long distances to specimen surfaces,which mitigates fatigue-induced extrusions and slip markings,ultimately leading to an increase in fatigue strength.These findings guide the development of RE-Mg alloys towards a synergy between high tensile and high fatigue performances. 展开更多
关键词 Long-period stacking ordered(LPSO)structure Stacking faults(SFS) Mg nanolayers Solute strengthening Fatigue performances
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A dataset for the structure and electrochemical performance of hard carbon as anodes for sodium-ion batteries
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作者 HOU Wei-yan YI Zong-lin +7 位作者 JIA Wan-ru YU Hong-tao DAI Li-qin YANG Jun-jie CHEN Jing-peng XIE Li-jing SU Fang-yuan CHEN Cheng-meng 《新型炭材料(中英文)》 北大核心 2025年第5期1193-1200,共8页
This data set collects,compares and contrasts the capacities and structures of a series of hard carbon materials,and then searches for correlations between structure and electrochemical performance.The capacity data o... This data set collects,compares and contrasts the capacities and structures of a series of hard carbon materials,and then searches for correlations between structure and electrochemical performance.The capacity data of the hard carbons were obtained by charge/discharge tests and the materials were characterized by XRD,gas adsorption,true density tests and SAXS.In particular,the fitting of SAXS gave a series of structural parameters which showed good characterization.The related test details are given with the structural data of the hard carbons and the electrochemical performance of the sodium-ion batteries. 展开更多
关键词 Hard carbon Sodium-ion battery SAXS structural characterization DATASET
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Preparation of High-Performance AZ31 Magnesium Alloy with Bimodal Grain Structure by Single-Pass Hot Rolling
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作者 Ge Mao Jiang Haitao Zhang Yun 《稀有金属材料与工程》 北大核心 2025年第9期2199-2204,共6页
AZ31 magnesium alloy was used as the object of study to fabricate an alloy with the bimodal grain structure using singlepass hot rolling,and to explore how this structure enhances the strength and plasticity of the al... AZ31 magnesium alloy was used as the object of study to fabricate an alloy with the bimodal grain structure using singlepass hot rolling,and to explore how this structure enhances the strength and plasticity of the alloy.The results show that the formation of the bimodal grain structure is more pronounced at rolling temperatures ranging from 350°C to 450°C,especially under conditions of large reduction(≥40%).The optimized proportion and distribution of the bimodal grain structure play a pivotal role in simultaneously enhancing the strength and ductility of the alloy,significantly impacting the mechanical properties.The rolled sheet with the bimodal grain structure achieves an ultimate tensile strength of 258.3 MPa and an elongation of 17.1%under a rolling reduction of 40%with the rolling rate of 75 m/min and rolling temperature of 400°C.Adjusting rolling parameters,including temperature,reduction ratio and rolling rate,is crucial for optimizing the bimodal grain structure,thereby achieving a balance between plasticity improvement and high strength maintenance. 展开更多
关键词 AZ31 magnesium alloy bimodal grain structure TWINNING strength and plasticity enhancement
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