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First-principles study on the structure-property relationship of AlX and InX(X=N,P,As,Sb)
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作者 HE Zhihao DING Jiafu +1 位作者 WANG Yunjie SU Xin 《无机化学学报》 北大核心 2025年第5期1007-1019,共13页
This paper delves into the theoretical mechanisms of the electronic structure and optical properties of aluminum-based semiconductors(AlX,X=N,P,As,Sb)and indium-based semiconductors(InX,X=N,P,As,Sb)as potential materi... This paper delves into the theoretical mechanisms of the electronic structure and optical properties of aluminum-based semiconductors(AlX,X=N,P,As,Sb)and indium-based semiconductors(InX,X=N,P,As,Sb)as potential materials for optical devices.Band structure calculations reveal that,except for InSb,all other compounds are direct bandgap semiconductors,with AlN exhibiting a bandgap of 3.245 eV.The valence band maximum of these eight compounds primarily stems from the p-orbitals of Al/In and X.In contrast,the conduction band minimum is influenced by all orbitals,with a predominant contribution from the p-orbitals.The static dielectric constant increased with the expansion of the unit cell volume.Compared to AlX and InX with larger X atoms,AlN and InN showed broader absorption spectra in the near-ultraviolet region and higher photoelectric conductance.Regarding mechanical properties,AlN and InN displayed greater shear and bulk modulus than the other compounds.Moreover,among these eight crystal types,a higher modulus was associated with a lower light loss function value,indicating that AlN and InN have superior transmission efficiency and a wider spectral range in optoelectronic material applications. 展开更多
关键词 aluminium‑based semiconductor indium‑based semiconductor first principle electronic structure optical property
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First Principles Study of CoSb_(3)/Ni Interface Structure and Mechanical Properties
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作者 Cuicui Shu Pengcheng Zhai +3 位作者 Xiege Huang Sergey IMorozov Guodong Li Zhiyuan Pan 《Acta Metallurgica Sinica(English Letters)》 2025年第5期793-802,共10页
Mechanical stability is critically essential in the design of thermoelectric devices.In this study,we employed first-principles calculations based on density functional theory to investigate the failure mechanisms at ... Mechanical stability is critically essential in the design of thermoelectric devices.In this study,we employed first-principles calculations based on density functional theory to investigate the failure mechanisms at the CoSb_(3)/Ni interface.Our findings reveal that the CoSb_(3)(100)/Ni(100)and CoSb_(3)(100)/Ni(111)_1 configurations are favorable interface structures.The ideal tensile strength of the CoSb_(3)/Ni interface is markedly lower than that of bulk CoSb_(3),which can be attributed to structural rearrangements near the interface that weaken the strength of the Co–Sb bonds.Interface failure occurs in CoSb_(3),where covalent Sb–Sb bonds exhibit a tendency to soften prior to the ionic Co–Sb bonds due to their comparatively lower rigidity.Consequently,the breakage of the Co–Sb bonds leads to interface failure.Structural failure at both single-layer Sb_CoSb_(3)(100)/Ni(100)and single-layer Sb_CoSb_(3)(100)/Ni(111)_1 interfaces results from ruptures in intermediate Co–Sb bonds in CoSb_(3),whereas failures at double-layer Sb_CoSb_(3)(100)/Ni(100)and double-layer Sb_CoSb_(3)(100)/Ni(111)_1 interfaces stem from fractures in the uppermost Co–Sb bonds.This behavior is primarily driven by atomic rearrangements near the single-layer Sb_CoSb_(3)interface,which promote bond formation between Sb–Ni and Co–Ni,thereby enhancing stability within the superstructure of CoSb_(3).This study will provide a theoretical basis for the interface design of thermoelectric devices. 展开更多
关键词 THERMOELECTRIC Intercfacial structure Ideal tensile strength Failure mechanism
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Pore structure variation characteristics of a Chinese local mudstone before and after the first cycle of wetting and drying
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作者 ZHANG Qing-song LIU Zhi-bin +3 位作者 TANG Ya-sen DENG Yong-feng LUO Ting-yi MENG Fan-xing 《Journal of Central South University》 2025年第2期582-596,共15页
As a typical sedimentary soft rock,mudstone has the characteristics of being easily softened and disintegrated under the effect of wetting and drying(WD).The first cycle of WD plays an important role in the entire WD ... As a typical sedimentary soft rock,mudstone has the characteristics of being easily softened and disintegrated under the effect of wetting and drying(WD).The first cycle of WD plays an important role in the entire WD cycles.X-ray micro-computed tomography(micro-CT)was used as a non-destructive tool to quantitatively analyze microstructural changes of the mudstone due to the first cycle of WD.The test results show that WD leads to an increase of pore volume and pore connectivity in the mudstone.The porosity and fractal dimension of each slice of mudstone not only increase in value,but also in fluctuation amplitude.The pattern of variation in the frequency distribution of the equivalent radii of connected,isolated pores and pore throats in mudstone under WD effect satisfies the Gaussian distribution.Under the effect of WD,pores and pore throats with relatively small sizes increase the most.The sphericity of the pores in mudstones is positively correlated with the pore radius.The WD effect transforms the originally angular and flat pores into round and regular pores.This paper can provide a reference for the study of the deterioration and catastrophic mechanisms of mudstone under wetting and drying cycles. 展开更多
关键词 MUDSTONE wetting and drying cycle X-ray micro-computed tomography pore structure pore morphology
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Electronic structure,elasticity,magnetism of Mn_(2)XIn(X=Fe,Co)full Heusler compounds under biaxial strain:First-principles calculations
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作者 Shiran Gao Chengyang Zhao +4 位作者 Xinzhuo Zhang Wen Qiao Shiming Yan Ru Bai Tiejun Zhou 《Chinese Physics B》 2025年第1期438-449,共12页
The electronic structure,elasticity,and magnetic properties of the Mn_(2)XIn(X=Fe,Co)full-Heusler compounds are comprehensively investigated via first-principles calculations.The calculated elastic constants indicate ... The electronic structure,elasticity,and magnetic properties of the Mn_(2)XIn(X=Fe,Co)full-Heusler compounds are comprehensively investigated via first-principles calculations.The calculated elastic constants indicate that both Mn_(2)FeIn and Mn_(2)Co In possess ductility.At the optimal lattice constants,the magnetic moments are found to be 1.40μB/f.u.for Mn_(2)FeIn and 1.69μB/f.u.for Mn_(2)CoIn.Under the biaxial strain ranging from-2%to 5%,Mn_(2)FeIn demonstrates a remarkable variation in the spin polarization,spanning from-2%to 74%,positioning it as a promising candidate for applications in spintronic devices.Analysis of the electronic structure reveals that the change in spin polarization under strain is due to the shift of the spin-down states at the Fermi surface.Additionally,under biaxial strain,the magnetic anisotropy of Mn_(2)FeIn undergoes a transition of easy-axis direction.Utilizing second-order perturbation theory and electronic structure analysis,the variation in magnetic anisotropy with strain can be attributed to changes of d-orbital states near the Fermi surface. 展开更多
关键词 magnetic anisotropy biaxial strain electronic band structure mechanical properties
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Improved Inverse First-Order Reliability Method for Analyzing Long-Term Response Extremes of Floating Structures
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作者 Junrong Wang Zhuolantai Bai +3 位作者 Botao Xie Jie Gui Haonan Gong Yantong Zhou 《哈尔滨工程大学学报(英文版)》 2025年第3期552-566,共15页
Long-term responses of floating structures pose a great concern in their design phase. Existing approaches for addressing long-term extreme responses are extremely cumbersome for adoption. This work aims to develop an... Long-term responses of floating structures pose a great concern in their design phase. Existing approaches for addressing long-term extreme responses are extremely cumbersome for adoption. This work aims to develop an approach for the long-term extreme-response analysis of floating structures. A modified gradient-based retrieval algorithm in conjunction with the inverse first-order reliability method(IFORM) is proposed to enable the use of convolution models in long-term extreme analysis of structures with an analytical formula of response amplitude operator(RAO). The proposed algorithm ensures convergence stability and iteration accuracy and exhibits a higher computational efficiency than the traditional backtracking method. However, when the RAO of general offshore structures cannot be analytically expressed, the convolutional integration method fails to function properly. A numerical discretization approach is further proposed for offshore structures in the case when the analytical expression of the RAO is not feasible. Through iterative discretization of environmental contours(ECs) and RAOs, a detailed procedure is proposed to calculate the long-term response extremes of offshore structures. The validity and accuracy of the proposed approach are tested using a floating offshore wind turbine as a numerical example. The long-term extreme heave responses of various return periods are calculated via the IFORM in conjunction with a numerical discretization approach. The environmental data corresponding to N-year structural responses are located inside the ECs, which indicates that the selection of design points directly along the ECs yields conservative design results. 展开更多
关键词 Long-term response analysis Floating structures Inverse first-order reliability method Convolution model Gradient-based retrieval algorithm Environmental contour method
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Crystal structure,thermal analysis,and luminescence properties of six heterocyclic lanthanide complexes
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作者 SONG Zihe ZHAO Jinjin +1 位作者 REN Ning ZHANG Jianjun 《无机化学学报》 北大核心 2026年第1期181-192,共12页
Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'... Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'-bipyridine]were successfully synthesized by the volatilization of the solution at room temperature.The crystal structures of six complexes were determined by single-crystal X-ray diffraction technology.The results showed that the complexes all have a binuclear structure,and the structures contain free ethanol molecules.Moreover,the coordination number of the central metal of each structural unit is eight.Adjacent structural units interact with each other through hydrogen bonds and further expand to form 1D chain-like and 2D planar structures.After conducting a systematic study on the luminescence properties of complexes 1-4,their emission and excitation spectra were obtained.Experimental results indicated that the fluorescence lifetimes of complexes 2 and 3 were 0.807 and 0.845 ms,respectively.The emission spectral data of complexes 1-4 were imported into the CIE chromaticity coordinate system,and their corre sponding luminescent regions cover the yellow light,red light,green light,and orange-red light bands,respectively.Within the temperature range of 299.15-1300 K,the thermal decomposition processes of the six complexes were comprehensively analyzed by using TG-DSC/FTIR/MS technology.The hypothesis of the gradual loss of ligand groups during the decomposition process was verified by detecting the escaped gas,3D infrared spectroscopy,and ion fragment information detected by mass spectrometry.The specific decomposition path is as follows:firstly,free ethanol molecules and neutral ligands are removed,and finally,acidic ligands are released;the final product is the corresponding metal oxide.CCDC:2430420,1;2430422,2;2430419,3;2430424,4;2430421,5;2430423,6. 展开更多
关键词 lanthanide complexes fluorescence property crystal structure thermal analysis
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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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Synthesis and crystal structures of Co(Ⅱ)/Cu(Ⅱ)coordination polymers based on solvent and ligand concentration regulation strategy
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作者 SUN Yinxia LIU Liping +7 位作者 BAI Xue SUN Yu SUN Wanhong DENG Zhepeng CHEN Jianghai WANG Jianjun XU Li ZHANG Shuzhen 《无机化学学报》 北大核心 2026年第2期340-354,共15页
Four distinct coordination polymers(CPs)were successfully synthesized by altering solvent types and adjusting ligand concentrations,and their crystal structures were investigated.[Co(L)(FDCA)(H_(2)O)_(2)]·0.5H_(2... Four distinct coordination polymers(CPs)were successfully synthesized by altering solvent types and adjusting ligand concentrations,and their crystal structures were investigated.[Co(L)(FDCA)(H_(2)O)_(2)]·0.5H_(2)O(1)was synthesized as a 2D structure using Coas the metal source,methanol‑water(4∶6,V/V)as the solvent,and specific concentrations of 2,5‑furandicarboxylic acid(H_(2)FDCA)and 1,3,5‑triimidazole benzene(L).Adjusting to pure water and lowering the concentration of L yielded the 1D chain structure of[Co(HL)2(H_(2)O)_(2)](FDCA)_(2)·6H_(2)O(2).Using Cu(Ⅱ)as the metal source,methanol/water(9∶1,V/V)as the solvent,and specific concentrations of L and H2FDCA,the 1D chain structure of[Cu(L)(FDCA)(H_(2)O)]·2H_(2)O(3)was synthesized.Upon increasing the concentrations of L and H2FDCA,and switching the solvent to pure water,the 1D chain structure of[Cu(HL)_(2)(H_(2)O)_(2)](FDCA)_(2)·6H_(2)O(4)was obtained.This shows that changing the solvent and ligand concentrations can affect the structural changes of CPs.In addition,the solid‑state photoluminescence of CPs 1‑4 at room temperature was studied,and their morphological changes were observed via scanning electron microscopy.Density functional theory calculations revealed that the negative charge concentrates on the O and N atoms of the ligand,facilitating ligand‑metal ion coordination.CCDC:2403934,1;2403935,2;2403936,3;2403938,4. 展开更多
关键词 Co(Ⅱ)/Cu(Ⅱ)coordination polymer crystal structure solvent system ligand concentration regulation strategy
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Discovery of a Novel Ginseng Polysaccharide:Structure Characterization,in vitro Fermentability and Anti-oxidative Mechanism of Fermented Product via the Nrf2/HO-1 Pathway on Aβ-induced-PC 12 Cells
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作者 DONG Binbin HOU Zong +3 位作者 ZHENG Zhong XING Junpeng LIU Zhiqiang LIU Shu 《高等学校化学学报》 北大核心 2026年第1期173-189,共17页
In this study,a novel polysaccharide GPA-G 2-H was derived from ginseng.Furthermore,the coherent study of its structural characteristics,fermented characteristics in vitro,as well as antioxidant mechanism of fermented... In this study,a novel polysaccharide GPA-G 2-H was derived from ginseng.Furthermore,the coherent study of its structural characteristics,fermented characteristics in vitro,as well as antioxidant mechanism of fermented product FGPA-G 2-H on Aβ25-35-induced PC 12 cells were explored.The structure of GPA-G 2-H was determined by means of zeta potential analysis,FTIR,HPLC,XRD,GC-MS and NMR.The backbone of GPA-G 2-H was mainly composed of→4)-α-D-Glcp-(1→with branches substituted at O-3.Notably,GPA-G 2-H was degraded by intestinal microbiota in vitro with total sugar content and pH value decreasing,and short-chain fatty acids(SCFAs)increasing.Moreover,GPA-G 2-H significantly promoted the proliferation of Lactobacillus,Muribaculaceae and Weissella,thereby making positive alterations in intestinal microbiota composition.Additionally,FGPA-G 2-H activated the Nrf 2/HO-1 signaling pathway,enhanced HO-1,NQO 1,SOD and GSH-Px,while inhabited Keap 1,MDA and LDH,which alleviated Aβ-induced oxidative stress in PC 12 cells.These provide a solid theoretical basis for the further development of ginseng polysaccharides as functional food and antioxidant drugs. 展开更多
关键词 Ginseng polysaccharide Structural characterization Intestinal microbiota FERMENTABILITY Oxidative stress
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Development of the vertebral column and fin support structures in Encrasicholina punctifer larvae and juveniles
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作者 PASSMORE Roland Madziva WANG Xiaodong +1 位作者 DU Zhipeng ZHONG Junsheng 《水产学报》 北大核心 2026年第2期145-158,共14页
Anchovies are key forage species in coastal and pelagic food webs,playing crucial ecological and commercial roles in marine ecosystems.Encrasicholina punctifer is a commercially and ecologically important species,yet ... Anchovies are key forage species in coastal and pelagic food webs,playing crucial ecological and commercial roles in marine ecosystems.Encrasicholina punctifer is a commercially and ecologically important species,yet little is known about its osteological development characteristics.Understanding these ontogenetic patterns is essential for explaining phylogenetic relationships within Clupeiformes,informing larval identification in ichthyoplankton surveys,and enhancing aquaculture practices.This study describes the ontogenetic characteristics of the appendicular and median skeletons and fin supports in E.punctifer larvae and juveniles,providing quantitative ontogenetic timelines to address gaps in engraulid developmental biology and contribute to teleost ontogeny research.Larval and juvenile specimens of E.punctifer;size range:3.00-34.56 mm standard length(SL)and notochord length(NL)collected from the Philippine Sea were processed using the standard Alizarin red and Alcian blue clearing-and-staining technique to differentiate ossified and cartilaginous elements.Specimens were examined under a stereo microscope and imaged with an HTC1600ISP digital camera for detailed morphological analysis of skeletal structures.Caudal complex development was evident by 5.55 mm NL,with the initial appearance of cartilaginous hypurals 1–2 and parhypural,followed by Hy3–5 at 6.08 mm NL.Cartilaginous Hy6 was visible by 9.58 mm SL in postflexion larvae.Six hypural bones were present from the postflexion to juvenile stage.Principal fin rays formed via intramembranous ossification at 6.32 mm NL,and segmentation was evident by 10.24 mm SL.Neural arch 1 appeared at 7.38 mm NL,preceding full haemal arch development.Uroneurals 1–2 and ural centra ossified by 9.58 mm SL,with Hy5 detached from U1 at 10.24 mm SL.Preural centra ossified before the arches.Epurals 1 and 2 were evident by 10.24 mm SL.Dorsal fin proximal radials developed anteriorly and distal radials posteriorly.Pectoral fin development initiated with an ossified cleithrum and the coracoscapular cartilage at 5.25 mm NL.By 10.24 mm SL,cartilaginous neural and haemal arches and spines were distinct.Uroneural 1 initially develops as cartilage.The formation of a pleurostyle aligns with clupeoid fish skeletal ontogeny.Dorsal and anal fin development follows a distinctive pattern,with variability in fin support development.Our results reveal accelerated caudal complex formation in E.punctifer and contribute new knowledge on the osteological characteristics of the genus Encrasicholina,and aid in understanding larval and juvenile ontogeny of marine teleosts. 展开更多
关键词 Encrasicholina punctifer skeletal structures ONTOGENY larvae and juveniles staining and clearing of cartilage and bone
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Energy absorption characteristics of additively manufactured sea sponge-inspired lattice structures under low-velocity impact loading
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作者 J Jefferson Andrew Jabir Ubaid +4 位作者 Mohammed Ayaz Uddin Omar Waqas Saadi Kamran Ahmed Khan Rehan Umer Andreas Schiffer 《Defence Technology(防务技术)》 2026年第1期118-129,共12页
Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-ins... Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-inspired lattice structures feature a square-grid 2D lattice with double diagonal bracings and are additively manufactured via digital light processing(DLP).The collapse strength and energy absorption capacity of sea sponge lattice structures are evaluated under various impact conditions and are compared to those of their constituent square-grid and double diagonal lattices.This study demonstrates that sea sponge lattices can achieve an 11-fold increase in energy absorption compared to the square-grid lattice,due to the stabilizing effect of the double diagonal bracings prompting the structure to collapse layer-bylayer under impact.By adjusting the thickness ratio in the sea sponge lattice,up to 76.7%increment in energy absorption is attained.It is also shown that sea-sponge lattices outperform well-established energy-absorbing materials of equal weight,such as hexagonal honeycombs,confirming their significant potential for impact mitigation.Additionally,this research highlights the enhancements in energy absorption achieved by adding a small amount(0.015 phr)of Multi-Walled Carbon Nanotubes(MWCNTs)to the photocurable resin,thus unlocking new possibilities for the design of innovative lightweight structures with multifunctional attributes. 展开更多
关键词 Sea sponge-inspired lattice structures Additive manufacturing Energy absorption Low-velocity impact Lattice structure NANOCOMPOSITE
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Energy absorption behavior of mild steel tube-core sandwich structures for rockfall protection
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作者 HUANG Fuyou ZHANG Luqing +3 位作者 ZHOU Jian HAN Zhenhua WANG Song SUN Qihao 《Journal of Mountain Science》 2026年第1期171-187,共17页
Sandwich structures are widely favored for their lightweight,high strength and superior impact mitigation capabilities in blast mitigation and transportation safety applications.Their application in large-scale,high-e... Sandwich structures are widely favored for their lightweight,high strength and superior impact mitigation capabilities in blast mitigation and transportation safety applications.Their application in large-scale,high-energy rockfall protection remains limited due to their relatively low volumetric energy absorption efficiency and the complex fabrication processes of key energy-absorbing components.To address these limitations,this study proposes a novel sandwich structure incorporating mild steel tubes as core energy absorbers to efficiently mitigate highenergy rockfall impacts.A finite element model was developed in LS-DYNA to systematically investigate the deformation and energy absorption behaviors.Comprehensive parametric analyses were conducted to quantify the effects of key design variables,including tube wall thickness,tube spacing(number of tubes),and infill materials.The results demonstrate that increasing tube wall thickness significantly enhances ultimate energy absorption,with 12-mm-thick tubes absorbing 2.2 times more energy than 6-mm-thick tubes.Lateral constraints induced by adjacent tubes improve specific energy absorption per unit displacement by approximately 30%-45%.Furthermore,incorporating infill materials considerably enhances energy absorption,with aluminum foam infills achieving an 81%increase compared to empty tubes.Nevertheless,higher energy absorption capacity typically leads to greater peak impact forces,increasing the number of tubes offers a better balance between energy absorption and impact force,optimizing the structural performance.These findings provide valuable theoretical insights and practical guidelines for designing sandwich structures in civil and infrastructure engineering applications for effective rockfall protection. 展开更多
关键词 Sandwich structure Mild steel tube Rockfall impact Energy absorption Structural optimization
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Computer Simulation and Experimental Approach in the Investigation of Deformation and Fracture of TPMS Structures Manufactured by 3D Printing
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作者 Nataliya Kazantseva Nikolai Saharov +2 位作者 Denis Davydov Nikola iPopov Maxim Il’inikh 《Computers, Materials & Continua》 2026年第4期578-595,共18页
Because of the developed surface of the Triply PeriodicMinimumSurface(TPMS)structures,polylactide(PLA)products with a TPMS structure are thought to be promising bio soluble implants with the potential for targeted dru... Because of the developed surface of the Triply PeriodicMinimumSurface(TPMS)structures,polylactide(PLA)products with a TPMS structure are thought to be promising bio soluble implants with the potential for targeted drug delivery.For implants,mechanical properties are key performance characteristics,so understanding the deformation and failure mechanisms is essential for selecting the appropriate implant structure.The deformation and fracture processes in PLA samples with different interior architectures have been studied through computer simulation and experimental research.Two TPMS topologies,the Schwarz Diamond and Gyroid architectures,were used for the sample construction by 3D printing.ANSYS software was utilized to simulate compressive deformation.It was found that under the same load,the vonMises stresses in the Gyroid structure are higher than those in the Schwartz Diamond structure,which was associated with the different orientations of the cells in the studied structures in relation to the direction of the loading axis.The deformation process occurs in the local regions of the studied TPMS structures.Maximum von Mises stresses were observed in the vertical parts of the structures oriented along the load direction.It was found that,unlike the Gyroid,the Schwartz Diamond structure contains a frame that forms unique stiffening ribs,which ensures the redistribution of the load under the vertical loading direction.An analysis of the mechanical characteristics of PLA samples with the Schwartz Diamond and Gyroid structures produced by the Fused Deposition Modeling(FDM)method was correlated with computer simulation.The Schwarz Diamond-type structure was shown to have a higher absorption energy than the Gyroid one.A study of the fracture in PLA samples with various cell sizes revealed a particular feature related to the samples’periodic surface topology and the 3D printing process.Scanning electron microscopic(SEM)studies of the samples deformed by compression showed thatwith an increase in the density of the samples,the failure mechanism changes from ductile to quasi-brittle due to the complex participation of both cell deformation and fiber deformation. 展开更多
关键词 Computer simulation TPMS structure DEFORMATION FRACTURE SEM 3D printing
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Soil fertility and forest structure influence tree carbon stock depending on mycorrhizal types in a temperate forest
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作者 Zhihui Wang Lu Yang +3 位作者 Juan Wang Xiuhai Zhao Chunyu Zhang Klaus von Gadow 《Journal of Forestry Research》 2026年第1期125-137,共13页
Soil fertility and forest structure influence tree carbon stocks.However,it remains unclear how tree mycorrhizal types affect these relationships.This study addressed the question of how aboveground and belowground tr... Soil fertility and forest structure influence tree carbon stocks.However,it remains unclear how tree mycorrhizal types affect these relationships.This study addressed the question of how aboveground and belowground tree carbon stocks in soils with different mycorrhizal types are affected by soil fertility and forest structure.Tree demographic data were used from a 21.12-ha study area collected over a ten-year period(2009-2019),covering 43species of woody plants and more than 50,000 individuals.Relationships between tree carbon stock,soil fertility and forest structure(stand density,diameter variation,species diversity and spatial distribution)were examined,as well as whether these relationships differed between arbuscular mycorrhiza and ectomycorrhizal mycorrhiza groups in a typical temperate conifer and broad-leaved mixed forest.We found that total tree carbon stock was positively impacted by variations in stand density and tree diameter but negatively influenced by soil fertility,tree species diversity and uniform angle index.Soil fertility promoted carbon stock of trees associated with arbuscular mycorrhiza(AM)but inhibited the carbon stock of trees with ectomycorrhizal mycorrhiza fungi(EcM).Carbon stock of AM trees was mainly influenced by soil fertility,while carbon stock of EcM trees was influenced by stand density.Our findings show that mycorrhizae types mediate the impact of stand structure and soil fertility on tree carbon stocks and provides new evidence on how forest tree carbon stocks may be enhanced based on the types of mycorrhizal associations.Tree species with different mycorrhizal types can be managed in different ways. 展开更多
关键词 Carbon stock Forest structure Soil fertility Mycorrhizal type ABOVEGROUND BELOWGROUND
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A novel scaling method for the elastic ring supporting structure of an aero-engine rotor system: analytical and experimental investigations
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作者 Lei LI Tianyue MA +4 位作者 Zhong LUO Dongwu GAO Xiangdong GE Hui MA Shibin WANG 《Applied Mathematics and Mechanics(English Edition)》 2026年第1期1-18,共18页
The testing of large structures is limited by high costs and long cycles, making scaling methods an attractive solution. However, the scaling process of elastic rings introduces complexities in multi-parameter geometr... The testing of large structures is limited by high costs and long cycles, making scaling methods an attractive solution. However, the scaling process of elastic rings introduces complexities in multi-parameter geometric distortions, leading to a diminution in the predictive accuracy of the distorted similitude. To address this challenge, this study formulates a novel set of scaling laws, tailored to account for the intricate geometric distortions associated with elastic rings. The proposed scaling laws are formulated based on the intrinsic deformation characteristics of elastic rings, rather than the traditional systemic governing equations. Numerical and experimental cases are conducted to assess the efficacy and precision of the proposed scaling laws, and the obtained results are compared with those achieved by traditional methods. The outcomes demonstrate that the scaling laws put forth by this study significantly enhance the predictive capabilities for deformations of elastic rings. 展开更多
关键词 rotor system AERO-ENGINE elastic ring scaling method supporting structure
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Determining the Effect of Grain Size on the Microstructure and Oxidation of Nuclear Graphite
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作者 Xu Qiao Xinlei Cao +6 位作者 Yuying Zhang Wei Chen Chunzhen Yang Zhengcao Li Xing Zhou Ke Shen Zhou Zhou 《Carbon Energy》 2026年第1期138-152,共15页
Fine-grained nuclear graphite is a key material in high-temperature gas-cooled reactors(HTGRs).During air ingress accidents,core graphite components undergo severe oxidation,threatening structural integrity.Therefore,... Fine-grained nuclear graphite is a key material in high-temperature gas-cooled reactors(HTGRs).During air ingress accidents,core graphite components undergo severe oxidation,threatening structural integrity.Therefore,understanding the oxidation behavior of nuclear graphite is essential for reactor safety.The influence of oxidation involves multiple factors,including temperature,sample size,oxidant,impurities,filler type and size,etc.The size of the filler particles plays a crucial role in this study.Five ultrafine-and superfine-grained nuclear graphite samples(5.9-34.4μm)are manufactured using identical raw materials and manufacturing processes.Isothermal oxidation tests conducted at 650℃-750℃ are used to study the oxidation behavior.Additionally,comprehensive characterization is performed to analyze the crystal structure,surface morphology,and nanoscale to microscale pore structure of the samples.Results indicate that oxidation behavior cannot be predicted solely based on filler grain size.Reactive site concentration,characterized by active surface area,dominates the chemical reaction kinetics,whereas pore tortuosity,quantified by the structural parameterΨ,plays a key role in regulating oxidant diffusion.These findings clarify the dual role of microstructure in oxidation mechanisms and establish a theoretical and experimental basis for the design of high-performance nuclear graphite capable of long-term service in high-temperature gas-cooled reactors. 展开更多
关键词 DIFFUSION nuclear graphite OXIDATION pore structure reaction rate
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A novel Angle-Constrained Optimization method of Conformal Lattice Structures
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作者 Jun Yan Weibin Xu +2 位作者 Fuhao Wang Sixu Huo Kun Yan 《Computer Modeling in Engineering & Sciences》 2026年第2期269-295,共27页
Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimizat... Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimization method grounded in the global adjustment of nodal coordinates.First,a build direction is selected to minimize the number of violating struts.Then,an angular-constraint matrix is assembled from strut direction vectors,and analytical sensitivities with respect to nodal coordinates are derived to enable efficient constrained optimization under nonlinear angular inequality constraints.Numerical studies on two complex curved-surface lattices demonstrate that all overhang violations are eliminated while only minor changes are induced in global stiffness and strength.In particular,the maximum displacement of an ergonomic insole varies by only 2.87%after optimization.The results confirm the method’s versatility and engineering robustness,providing a practical approach for additive manufacturing-oriented lattice structure design. 展开更多
关键词 Conformal lattice structures additive manufacturing structural optimization complex structures
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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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Coupled Effects of Single-Vacancy Defect Positions on the Mechanical Properties and Electronic Structure of Aluminum Crystals
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作者 Binchang Ma Xinhai Yu Gang Huang 《Computers, Materials & Continua》 2026年第1期332-352,共21页
Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled t... Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled thermomechanical fields remains insufficiently understood.In this study,transmission and scanning electron microscopy were employed to observe dislocation structures and grain boundary heterogeneities in processed aluminum alloys,suggesting stress concentrations and microstructural inhomogeneities associated with vacancy accumulation.To complement these observations,first-principles calculations and molecular dynamics simulations were conducted for seven single-vacancy configurations in face-centered cubic aluminum.The stress response,total energy,density of states(DOS),and differential charge density were examined under varying compressive strain(ε=0–0.1)and temperature(0–600 K).The results indicate that face-centered vacancies tend to reduce mechanical strength and perturb electronic states near the Fermi level,whereas corner and edge vacancies appear to have weaker effects.Elevated temperatures may partially restore electronic uniformity through thermal excitation.Overall,these findings suggest that vacancy position exerts a critical but position-dependent influence on coupled structure-property relationships,offering theoretical insights and preliminary experimental support for defect-engineered aluminum alloy design. 展开更多
关键词 Aluminum crystal vacancy defect microstructural characterization stress response electronic structure thermomechanical coupling
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