Two novel lanthanide complexes,[Sm_(2)(BA)_(6)(4-OH-terpy)_(2)]·2H_(2)O·2EtOH(1)and[Pr_(2)(BA)_(6)(4-OH-terpy)_(2)(H_(2)O)_(2)]·HBA·H_(2)O(2),where HBA=benzoic acid,4-OH-terpy=4-hydroxy-2,2'∶6...Two novel lanthanide complexes,[Sm_(2)(BA)_(6)(4-OH-terpy)_(2)]·2H_(2)O·2EtOH(1)and[Pr_(2)(BA)_(6)(4-OH-terpy)_(2)(H_(2)O)_(2)]·HBA·H_(2)O(2),where HBA=benzoic acid,4-OH-terpy=4-hydroxy-2,2'∶6',2″-terpyridine,were successfully synthesized using ultrasonic dissolution and the conventional solution method with two mixed ligands HBA and 4-OH-terpy.During the synthesis,4-OH-terpy was involved in the reaction as a neutral ligand,while HBA,in its deprotonated form(BA-),coordinated with the lanthanide ions as an acidic ligand.The crystal structures of these two complexes were precisely determined by single-crystal X-ray diffraction.Elemental analysis,infrared and Raman spectroscopy,and powder X-ray diffraction techniques were also employed to further explore the physicochemical properties of the two complexes.The single-crystal X-ray diffraction data indicate that,despite their structural differences,both complexes belong to the triclinic crystal system P1 space group.The central lanthanide ions have the same coordination number but exhibit different coordination environments.To comprehensively evaluate the thermal stability of these two complexes,comprehensive tests including thermogravimetric analysis,differential thermogravimetric analysis,differential scanning calorimetry,Fourier transform infrared spectroscopy,and mass spectrometry were conducted.Meanwhile,an in-depth investigation was conducted into the 3D infrared stacked images and mass spectra of the gases emitted from the complexes.In addition,studies of the fluorescence properties of complex1 showed that it exhibited fluorescence emission matching the Sm^(3+)characteristic transition.展开更多
In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honey...In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honeycomb cells,was created by constructing arrangement matrices to achieve structural lightweight.The machine learning(ML)framework consisted of a neural network(NN)forward regression model for predicting impact resistance and a multi-objective optimization algorithm for generating high-performance designs.The surrogate of the local design space was initially realized by establishing the NN in the small sample dataset,and the active learning strategy was used to continuously extended the local optimal design until the model converged in the global space.The results indicated that the active learning strategy significantly improved the inference capability of the NN model in unknown design domains.By guiding the iteration direction of the optimization algorithm,lightweight designs with high impact resistance were identified.The energy absorption capacity of the optimal design reached 94.98%of the EARE honeycomb,while the initial peak stress and mass decreased by 28.85%and 19.91%,respectively.Furthermore,Shapley Additive Explanations(SHAP)for global explanation of the NN indicated a strong correlation between the arrangement mode of HCS and its impact resistance.By reducing the stiffness of the cells at the top boundary of the structure,the initial impact damage sustained by the structure can be significantly improved.Overall,this study proposed a general lightweight design method for array structures under impact loads,which is beneficial for the widespread application of honeycomb-based protective structures.展开更多
Two complexes[Cd(L)(CH_(3)O)(CH_(3)COO)]·CH_(3)OH·(CH_(3))_(2)NH(C1)and[Mn(L)Cl_(2)(CH_(3)OH)](C2)were synthesized by reacting a new imidazole-bearing ligand 4-(1H-imidazol-1-yl)-N'-(pyridin-2-ylmethylen...Two complexes[Cd(L)(CH_(3)O)(CH_(3)COO)]·CH_(3)OH·(CH_(3))_(2)NH(C1)and[Mn(L)Cl_(2)(CH_(3)OH)](C2)were synthesized by reacting a new imidazole-bearing ligand 4-(1H-imidazol-1-yl)-N'-(pyridin-2-ylmethylene)benzohydrazide(L)with cadmium and manganese salts,respectively.The ligand was characterized by ^(1)H NMR and ^(13)C NMR spectroscopy,while the complexes were analyzed by single-crystal X-ray diffraction,powder X-ray diffraction,thermogravimetric analyses,and UV-Vis spectroscopy.Complex C1 features a 1D zigzag chain structure formed by alternating connections of one ligand and one metal ion.In contrast,complex C2 exhibits a mononuclear molecular structure,where each unit consists of one ligand connected to one manganese ion.Both complexes further form a 3D structure through π-π interactions and intermolecular hydrogen bonds.Cell proliferation assays conducted on four tumor cell lines and one normal cell line revealed that both C1 and C2 exhibited significantly stronger inhibition of tumor cell growth compared to the ligand L.Notably,C1 demonstrated superior anti-proliferative activity against A549 and A2780 cells relative to cisplatin,while showing comparable cytotoxicity toward SMMC-7721 cells.Further mechanistic studies indicated that C1 induces apoptosis in both SMMC-7721 and A549 tumor cells,suppresses the invasion and migration of SMMC-7721 cells,and arrests the cell cycle at the G0/G1 phase.展开更多
A composite electrocatalyst,CoMoNiO-S/NF-110(NF is nickel foam),was synthesized through electrodeposition,followed by pyrolysis and then the vulcanization process.CoMoNiO-S/NF-110 exhibited a structure where Ni3S2 and...A composite electrocatalyst,CoMoNiO-S/NF-110(NF is nickel foam),was synthesized through electrodeposition,followed by pyrolysis and then the vulcanization process.CoMoNiO-S/NF-110 exhibited a structure where Ni3S2 and Mo2S3 nanoparticles were integrated at the edges of Co3O4 nanosheets,creating a rich,heterogeneous interface that enhances the synergistic effects of each component.In an alkaline electrolyte,the synthesized CoMoNiO-S/NF-110 exhibited superior electrocatalytic performance for oxygen evolution reaction(OER),achieving current densities of 100 and 200 mA·cm^(-2) with low overpotentials of 199.4 and 224.4 mV,respectively,outperforming RuO2 and several high-performance Mo and Ni-based catalysts.This excellent performance is attributed to the rich interface formed between the components and active sites exposed by the defect structure.展开更多
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
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
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
Two Co(Ⅱ)and Ni(Ⅱ)complexes were synthesized by synergistic coordination of 3,3-diphenylpropionic acid(HDPA)and 2,2′-bipyridylamine(PAm).The structures of complexes[Co(DPA)_(2)(PAm)]·2H_(2)O(1)and[Ni(DPA)_(2)(...Two Co(Ⅱ)and Ni(Ⅱ)complexes were synthesized by synergistic coordination of 3,3-diphenylpropionic acid(HDPA)and 2,2′-bipyridylamine(PAm).The structures of complexes[Co(DPA)_(2)(PAm)]·2H_(2)O(1)and[Ni(DPA)_(2)(PAm)]·2H_(2)O(2)were determined by single-crystal X-ray diffraction,IR spectroscopy,and powder X-ray diffraction.Hirshfeld surface analysis provided quantitative insights into the intermolecular interactions within the complexes,while molecular docking studies elucidated their binding modes and affinities toward urease.Furthermore,the biological activities of both complexes were systematically evaluated through a range of assays,including DNA binding,urease inhibition,antibacterial activity,and in vitro cytotoxicity against cancer cells.Both complexes exhibited binding affinity for DNA and displayed notable urease inhibitory activity.Under in vitro conditions,both complexes showed appreciable cytotoxicity toward HepG2 cells with efficacy comparable to clinically used platinumbased anticancer agents.CCDC:2479943,1;2479944,2.展开更多
Dialogue relation extraction,as a novel and significant task in recent years,aims to identify the relationship between a pair of subject and object within a conversation.This task serves as a fundamental technical bas...Dialogue relation extraction,as a novel and significant task in recent years,aims to identify the relationship between a pair of subject and object within a conversation.This task serves as a fundamental technical basis for research fields such as dialogue generation and dialogue understanding,offering significant theoretical and practical value.Considering the complicated logical structure based on speaker interactions in multi-party dialogues,which entail abundant information,we aim to enhance the contextual representation of dialogue texts by integrating the dialogue structure into encoders on the basis of pretrained language models.Specifically,we define two types of dialogue structures and introduce an attention correction module into the self-attention layer of pretrained language models.This module parameterizes the dialogue structure into trainable neural network layers,calculates attention biases on the basis of the dialogue structure,and uses these biases to adjust the standard attention scores,thereby integrating knowledge of the dialogue structure into the encoding process.Our approach can be seamlessly integrated into any dialogue model on the basis of pretrained language models.We conduct comprehensive experiments on two dialogue relation extraction datasets,DialogRE and DDRel,which achieve significantly improved results compared with the competitive baselines.展开更多
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
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
The hydrated tricyclohexyltin theophylline-7-acetic acid(tpH)complex[Sn(C_(6)H_(11))_(3)(tp)(H_(2)O)]was synthesized via an ethanol solvothermal method using tricyclohexyltin hydroxide and tpH in a 1∶1 molar ratio.Th...The hydrated tricyclohexyltin theophylline-7-acetic acid(tpH)complex[Sn(C_(6)H_(11))_(3)(tp)(H_(2)O)]was synthesized via an ethanol solvothermal method using tricyclohexyltin hydroxide and tpH in a 1∶1 molar ratio.The complex was characterized by IR,^(1)H(^(13)C)NMR,elemental analysis,and powder X-ray diffraction,and the crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the orthorhombic system with space group Iba2,and the central tin atom is in a five-coordinated trigonal bipyramidal configuration.Quantum chemistry ab initio calculations were performed to investigate the stability,molecular orbital energy,and frontier molecular orbital characteristics of the complex.Additionally,its thermal stability,electrochemical properties,and in vitro anticancer activity were evaluated.CCDC:2380308.展开更多
AlGaN-based deep-ultraviolet(DUV)laser diodes(LDs)face performance challenges due to elec-tron leakage and poor hole injection which is often worsened by polarization effects from conventional elec-tron blocking layer...AlGaN-based deep-ultraviolet(DUV)laser diodes(LDs)face performance challenges due to elec-tron leakage and poor hole injection which is often worsened by polarization effects from conventional elec-tron blocking layers(EBLs).To overcome these limitations,we propose an EBL-free DUV LD design incor-porating a 1-nm undoped Al_(0.8)Ga_(0.2)N thin strip layer after the last quantum barrier.Using PICS3D simula-tions,we evaluate the optical and electrical characteristics.Results show a significant increase in effective electron barrier height(from 158.2 meV to 420.7 meV)and a reduction in hole barrier height(from 149.2 meV to 62.8 meV),which enhance hole injection and reduce electron leakage.The optimized structure(LD3)achieves a 14%increase in output power,improved slope efficiency(1.85 W/A),and lower threshold current.This design also reduces the quantum confined Stark effect and forms dual hole accumulation regions,im-proving recombination efficiency.展开更多
This study evaluates the stabilizing effect of lignin, extracted from Eucalyptus globulus, on an energetic composite of nitrated cellulose carbamate (NCC) plasticized with diethylene glycol dinitrate (DEGDN), compared...This study evaluates the stabilizing effect of lignin, extracted from Eucalyptus globulus, on an energetic composite of nitrated cellulose carbamate (NCC) plasticized with diethylene glycol dinitrate (DEGDN), compared to conventional stabilizers 2-nitrodiphenylamine (2-NDPA) and 1,3-dimethyl-1,3-diphenylurea (C-II). FTIR analysis confirms lignin's capacity to scavenge nitroxyl radicals formed during thermolysis of nitrocarbamate and nitrate ester bonds, thereby inhibiting decomposition. Moreover, the incorporation of C-II, 2-NDPA, and lignin significantly raised the peak temperature of the main thermolysis, as confirmed by DSC and TGA, indicating a progressive stability enhancement in the order: NCC/DEGDN < NCC/DEGDN/C-II < NCC/DEGDN/lignin < NCC/DEGDN/2-NDPA. Additionally, the effect of each stabilizer on the decomposition pathway was characterized by TGA-FTIR. The findings show that stabilizer type significantly affects the intensity of gaseous products released during decomposition without altering their nature. Notably, NH2 groups formed during NCC degradation play a key role in nitrogen conversion, particularly by reducing toxic NO emissions.展开更多
5,5'-dithiobis(2-nitrobenzoic acid)(H_(2)DTNB)was employed as the second ligand to react with cucurbit[6]uril(Q[6])and Cd(NO_(3))_(2),and it was deprotonated or transformed into HDTNB^(-),TNB^(2-)and NSB^(2-)(H_(2...5,5'-dithiobis(2-nitrobenzoic acid)(H_(2)DTNB)was employed as the second ligand to react with cucurbit[6]uril(Q[6])and Cd(NO_(3))_(2),and it was deprotonated or transformed into HDTNB^(-),TNB^(2-)and NSB^(2-)(H_(2)TNB=5,5'-thiobis(2-nitrobenzoic acid),H_(2)NSB=2-nitro-5-sulfobenzoic acid)under different conditions to afford three novel supramolecular assemblies with the formulas of[Cd(H_(2)O)_(4)(Q[6])](HDTNB)_(2)·3H_(2)O(1),[Cd(H_(2)O)_(6)]_(2)(TNB)_(2)·Q[6]·4H_(2)O(2)and[Cd(H_(2)O)_(5)(NSB)]_(2)·Q[6](3).Singe-crystal diffraction(SC-XRD)analysis revealed that assembly 1 is constructed from 2D[Cd(H_(2)O)_(4)(Q[6])]2+supramolecular layers and HDTNB^(-)supra molecular layers,the structure of assembly 2 is comprised of the 2D{[Cd(H_(2)O)_(6)]_(2)·Q[6]}^(4+)supramolecular layers and 1D TNB^(2-)supramolecular chains,while assembly 3 is built from the 3D Q[6]frameworks with[Cd(H_(2)O)_(5)(NSB)]supramolecular chains filled in the pores.Meanwhile,the noncovalent interactions between the ligands HDTNB^(-)/TNB^(2-)/NSB^(2-)and the outer-surface of Q[6]molecules contributed greatly to the formation of the supramolecular architecture of assemblies 1-3.CCDC:2522253,1;2522254,2;2522255,3.展开更多
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
With superior structural integrity and design flexibility,3D woven fabrics exhibit unique potential in ballistic protection applications.However,the anisotropic yarn distribution renders traditional 3D woven fabrics s...With superior structural integrity and design flexibility,3D woven fabrics exhibit unique potential in ballistic protection applications.However,the anisotropic yarn distribution renders traditional 3D woven fabrics susceptible to fixed boundaries,which is not conducive to practical applications.Inspired by the motion characteristics of yarn structures,this study investigates a hybrid 3D woven fabric structure that incorporates interlayer warp yarns and normal yarns.Bending stiffness tests,yarn pull-out tests,and ballistic tests are conducted and compared with single-binding yarn structures.Utilizing a validated meso-finite element model,the dynamic deformation and energy absorption mechanisms of the hybrid configuration under impact are elucidated.The results demonstrate that synergistic interactions among various binding yarn structures maintain fabric stability in the absence of boundaries.Normal yarns inhibit horizontal slippage of warp yarns,while multi-layer warp yarns enhance resistance to weft yarn pull-out,thereby facilitating greater yarn participation in direct energy absorption.The hybrid structure exhibited the highest specific energy absorption(SEA)across different boundary conditions,with an average SEA increase of approximately 27%.These insights will facilitate the design of novel hybrid-structured 3D woven fabrics and inform the customization of lightweight protective materials.展开更多
Flexible materials play a crucial role in protecting against behind armour blunt trauma(BABT).However,their compliance complicates the understanding of failure mechanisms and energy absorption.This study used a combin...Flexible materials play a crucial role in protecting against behind armour blunt trauma(BABT).However,their compliance complicates the understanding of failure mechanisms and energy absorption.This study used a combined experimental and numerical approach to investigate the response and failure modes of a flexible ultra-high-molecular-weight polyethylene(UHMWPE)foam protective sandwich structure(UFPSS)under low-velocity impact(LVI).A finite element(FE)model,accounting for nonlinear large deformation and strain-rate-dependent material behavior,was developed for a woven-UFPSS(featuring a plain-woven fabric structure)subjected to a 50 J impact.Experimental and numerical results showed strong agreement in peak force(error<5%),maximum displacement(error<6%),and buffer time(error<8%).The impact's kinetic energy was mainly converted into internal energy of the fabric and foam materials(~50%),viscous dissipation in the foam core(12%-15%),frictional work at the contact interfaces(5%-6%),and work by the pneumatic fixture clamping force(~38%).This study provides the first investigation of the LVI performance of sandwich structures with all soft material layers,offering significant insights for the application of compliant materials in protective fields.展开更多
This study presents a predictive model for condensed-phase heats of formation of metal-containing energetic complexes(MCECs)and energetic metal-organic frameworks(EMOFs),leveraging a dataset of 148 compounds.Using ele...This study presents a predictive model for condensed-phase heats of formation of metal-containing energetic complexes(MCECs)and energetic metal-organic frameworks(EMOFs),leveraging a dataset of 148 compounds.Using elemental composition,triazole rings,and metal presence,the model achieves high accuracy(R^(2)>0.94,mean absolute error(MAE)≈390 kJ/mol)for screening high-energy materials.It outperforms prior methods,particularly for polycyclic systems,offering a practical tool for safer design and risk assessment in defense and industrial applications.展开更多
Aiming at the problem of dynamic instability of hard-brittle jointed rock surrounding in deep tunnel/roadway engineering,combining with the support concepts of"coupling rigidity with flexibility"and"ove...Aiming at the problem of dynamic instability of hard-brittle jointed rock surrounding in deep tunnel/roadway engineering,combining with the support concepts of"coupling rigidity with flexibility"and"overcoming rigidity by flexibility",the prevention and control method with"rigid-flexible coupling(R-F-C)"was put forward.Through numerical simulation calculation,the impact damage process,acoustic emission(AE)evolution characteristics,and element stress/displacement evolution characteristics of unsupported surrounding rock structure model,rigid supporting surrounding rock structure model,and"R-F-C"supporting surrounding rock structure model under horizontal bidirectional impact loading were compared and analyzed.Based on the theory of stress wave propagation,the dynamic instability catastrophe mechanism of three kinds of supporting structure models induced by horizontal bidirectional impact loading was revealed.Based on the Mohr-Coulomb strength theory,the stress discrimination methods of dynamic catastrophe of surrounding rock induced by horizontal bidirectional impact loading under three kinds of supporting structures were proposed.Combined with the above numerical simulation study,the explosion impact physical and mechanical test of"R-F-C"surrounding rock supporting plate structure was further designed and carried out.Finally,combined with the"conceptual model of ball-cliff potential energy instability",the energy driving theory and energy transformation mechanism of impact-induced rockburst under three kinds of supporting structures were discussed deeply.The research results provided a scientific basis for further promoting the effective application of"R-F-C"supporting structure in the prevention and control of dynamic instability of deep tunnel/roadway surrounding rock.展开更多
文摘Two novel lanthanide complexes,[Sm_(2)(BA)_(6)(4-OH-terpy)_(2)]·2H_(2)O·2EtOH(1)and[Pr_(2)(BA)_(6)(4-OH-terpy)_(2)(H_(2)O)_(2)]·HBA·H_(2)O(2),where HBA=benzoic acid,4-OH-terpy=4-hydroxy-2,2'∶6',2″-terpyridine,were successfully synthesized using ultrasonic dissolution and the conventional solution method with two mixed ligands HBA and 4-OH-terpy.During the synthesis,4-OH-terpy was involved in the reaction as a neutral ligand,while HBA,in its deprotonated form(BA-),coordinated with the lanthanide ions as an acidic ligand.The crystal structures of these two complexes were precisely determined by single-crystal X-ray diffraction.Elemental analysis,infrared and Raman spectroscopy,and powder X-ray diffraction techniques were also employed to further explore the physicochemical properties of the two complexes.The single-crystal X-ray diffraction data indicate that,despite their structural differences,both complexes belong to the triclinic crystal system P1 space group.The central lanthanide ions have the same coordination number but exhibit different coordination environments.To comprehensively evaluate the thermal stability of these two complexes,comprehensive tests including thermogravimetric analysis,differential thermogravimetric analysis,differential scanning calorimetry,Fourier transform infrared spectroscopy,and mass spectrometry were conducted.Meanwhile,an in-depth investigation was conducted into the 3D infrared stacked images and mass spectra of the gases emitted from the complexes.In addition,studies of the fluorescence properties of complex1 showed that it exhibited fluorescence emission matching the Sm^(3+)characteristic transition.
基金the financial supports from National Key R&D Program for Young Scientists of China(Grant No.2022YFC3080900)National Natural Science Foundation of China(Grant No.52374181)+1 种基金BIT Research and Innovation Promoting Project(Grant No.2024YCXZ017)supported by Science and Technology Innovation Program of Beijing institute of technology under Grant No.2022CX01025。
文摘In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honeycomb cells,was created by constructing arrangement matrices to achieve structural lightweight.The machine learning(ML)framework consisted of a neural network(NN)forward regression model for predicting impact resistance and a multi-objective optimization algorithm for generating high-performance designs.The surrogate of the local design space was initially realized by establishing the NN in the small sample dataset,and the active learning strategy was used to continuously extended the local optimal design until the model converged in the global space.The results indicated that the active learning strategy significantly improved the inference capability of the NN model in unknown design domains.By guiding the iteration direction of the optimization algorithm,lightweight designs with high impact resistance were identified.The energy absorption capacity of the optimal design reached 94.98%of the EARE honeycomb,while the initial peak stress and mass decreased by 28.85%and 19.91%,respectively.Furthermore,Shapley Additive Explanations(SHAP)for global explanation of the NN indicated a strong correlation between the arrangement mode of HCS and its impact resistance.By reducing the stiffness of the cells at the top boundary of the structure,the initial impact damage sustained by the structure can be significantly improved.Overall,this study proposed a general lightweight design method for array structures under impact loads,which is beneficial for the widespread application of honeycomb-based protective structures.
文摘Two complexes[Cd(L)(CH_(3)O)(CH_(3)COO)]·CH_(3)OH·(CH_(3))_(2)NH(C1)and[Mn(L)Cl_(2)(CH_(3)OH)](C2)were synthesized by reacting a new imidazole-bearing ligand 4-(1H-imidazol-1-yl)-N'-(pyridin-2-ylmethylene)benzohydrazide(L)with cadmium and manganese salts,respectively.The ligand was characterized by ^(1)H NMR and ^(13)C NMR spectroscopy,while the complexes were analyzed by single-crystal X-ray diffraction,powder X-ray diffraction,thermogravimetric analyses,and UV-Vis spectroscopy.Complex C1 features a 1D zigzag chain structure formed by alternating connections of one ligand and one metal ion.In contrast,complex C2 exhibits a mononuclear molecular structure,where each unit consists of one ligand connected to one manganese ion.Both complexes further form a 3D structure through π-π interactions and intermolecular hydrogen bonds.Cell proliferation assays conducted on four tumor cell lines and one normal cell line revealed that both C1 and C2 exhibited significantly stronger inhibition of tumor cell growth compared to the ligand L.Notably,C1 demonstrated superior anti-proliferative activity against A549 and A2780 cells relative to cisplatin,while showing comparable cytotoxicity toward SMMC-7721 cells.Further mechanistic studies indicated that C1 induces apoptosis in both SMMC-7721 and A549 tumor cells,suppresses the invasion and migration of SMMC-7721 cells,and arrests the cell cycle at the G0/G1 phase.
文摘A composite electrocatalyst,CoMoNiO-S/NF-110(NF is nickel foam),was synthesized through electrodeposition,followed by pyrolysis and then the vulcanization process.CoMoNiO-S/NF-110 exhibited a structure where Ni3S2 and Mo2S3 nanoparticles were integrated at the edges of Co3O4 nanosheets,creating a rich,heterogeneous interface that enhances the synergistic effects of each component.In an alkaline electrolyte,the synthesized CoMoNiO-S/NF-110 exhibited superior electrocatalytic performance for oxygen evolution reaction(OER),achieving current densities of 100 and 200 mA·cm^(-2) with low overpotentials of 199.4 and 224.4 mV,respectively,outperforming RuO2 and several high-performance Mo and Ni-based catalysts.This excellent performance is attributed to the rich interface formed between the components and active sites exposed by the defect structure.
基金financially supported by National Natural Science Foundation of China(Grant Nos.12141203,52202083,W2421013)the Natural Science Foundation Project of Shaanxi Province(Grant No.2024JC-YBMS-450)+1 种基金the Sichuan Science and Technology Program(Grant No.2024YFHZ0265)the Open Project of High-end Equipment Advanced Materials and Manufacturing Technology Laboratory(Grant No.2023KFKT0005)。
文摘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.
文摘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.
基金Supported by the National Key Research and Development Program of Traditional Chinese Medicine Modernization Project,China(No.2023YFC3504000)the Science and Technology Development Project of Jilin Province,China(No.20240404043ZP)the Science and Technology Innovation Cooperation Project of Changchun Science and Technology Bureau and Chinese Academy of Sciences,China(No.23SH14)。
文摘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.
文摘Two Co(Ⅱ)and Ni(Ⅱ)complexes were synthesized by synergistic coordination of 3,3-diphenylpropionic acid(HDPA)and 2,2′-bipyridylamine(PAm).The structures of complexes[Co(DPA)_(2)(PAm)]·2H_(2)O(1)and[Ni(DPA)_(2)(PAm)]·2H_(2)O(2)were determined by single-crystal X-ray diffraction,IR spectroscopy,and powder X-ray diffraction.Hirshfeld surface analysis provided quantitative insights into the intermolecular interactions within the complexes,while molecular docking studies elucidated their binding modes and affinities toward urease.Furthermore,the biological activities of both complexes were systematically evaluated through a range of assays,including DNA binding,urease inhibition,antibacterial activity,and in vitro cytotoxicity against cancer cells.Both complexes exhibited binding affinity for DNA and displayed notable urease inhibitory activity.Under in vitro conditions,both complexes showed appreciable cytotoxicity toward HepG2 cells with efficacy comparable to clinically used platinumbased anticancer agents.CCDC:2479943,1;2479944,2.
文摘Dialogue relation extraction,as a novel and significant task in recent years,aims to identify the relationship between a pair of subject and object within a conversation.This task serves as a fundamental technical basis for research fields such as dialogue generation and dialogue understanding,offering significant theoretical and practical value.Considering the complicated logical structure based on speaker interactions in multi-party dialogues,which entail abundant information,we aim to enhance the contextual representation of dialogue texts by integrating the dialogue structure into encoders on the basis of pretrained language models.Specifically,we define two types of dialogue structures and introduce an attention correction module into the self-attention layer of pretrained language models.This module parameterizes the dialogue structure into trainable neural network layers,calculates attention biases on the basis of the dialogue structure,and uses these biases to adjust the standard attention scores,thereby integrating knowledge of the dialogue structure into the encoding process.Our approach can be seamlessly integrated into any dialogue model on the basis of pretrained language models.We conduct comprehensive experiments on two dialogue relation extraction datasets,DialogRE and DDRel,which achieve significantly improved results compared with the competitive baselines.
基金supported by the Khalifa University of Science and Technology internal grants(Nos.2021-CIRA-109,2020-CIRA-007,and 2020-CIRA-024).
文摘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.
基金Supported by the Science and Technology Cooperation and Exchange special project of Cooperation of Shanxi Province(202404041101014)the Fundamental Research Program of Shanxi Province(202403021212333)+3 种基金the Joint Funds of the National Natural Science Foundation of China(U24A20555)the Lvliang Key R&D of University-Local Cooperation(2023XDHZ10)the Initiation Fund for Doctoral Research of Taiyuan University of Science and Technology(20242026)the Outstanding Doctor Funding Award of Shanxi Province(20242080).
文摘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.
文摘The hydrated tricyclohexyltin theophylline-7-acetic acid(tpH)complex[Sn(C_(6)H_(11))_(3)(tp)(H_(2)O)]was synthesized via an ethanol solvothermal method using tricyclohexyltin hydroxide and tpH in a 1∶1 molar ratio.The complex was characterized by IR,^(1)H(^(13)C)NMR,elemental analysis,and powder X-ray diffraction,and the crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the orthorhombic system with space group Iba2,and the central tin atom is in a five-coordinated trigonal bipyramidal configuration.Quantum chemistry ab initio calculations were performed to investigate the stability,molecular orbital energy,and frontier molecular orbital characteristics of the complex.Additionally,its thermal stability,electrochemical properties,and in vitro anticancer activity were evaluated.CCDC:2380308.
文摘AlGaN-based deep-ultraviolet(DUV)laser diodes(LDs)face performance challenges due to elec-tron leakage and poor hole injection which is often worsened by polarization effects from conventional elec-tron blocking layers(EBLs).To overcome these limitations,we propose an EBL-free DUV LD design incor-porating a 1-nm undoped Al_(0.8)Ga_(0.2)N thin strip layer after the last quantum barrier.Using PICS3D simula-tions,we evaluate the optical and electrical characteristics.Results show a significant increase in effective electron barrier height(from 158.2 meV to 420.7 meV)and a reduction in hole barrier height(from 149.2 meV to 62.8 meV),which enhance hole injection and reduce electron leakage.The optimized structure(LD3)achieves a 14%increase in output power,improved slope efficiency(1.85 W/A),and lower threshold current.This design also reduces the quantum confined Stark effect and forms dual hole accumulation regions,im-proving recombination efficiency.
文摘This study evaluates the stabilizing effect of lignin, extracted from Eucalyptus globulus, on an energetic composite of nitrated cellulose carbamate (NCC) plasticized with diethylene glycol dinitrate (DEGDN), compared to conventional stabilizers 2-nitrodiphenylamine (2-NDPA) and 1,3-dimethyl-1,3-diphenylurea (C-II). FTIR analysis confirms lignin's capacity to scavenge nitroxyl radicals formed during thermolysis of nitrocarbamate and nitrate ester bonds, thereby inhibiting decomposition. Moreover, the incorporation of C-II, 2-NDPA, and lignin significantly raised the peak temperature of the main thermolysis, as confirmed by DSC and TGA, indicating a progressive stability enhancement in the order: NCC/DEGDN < NCC/DEGDN/C-II < NCC/DEGDN/lignin < NCC/DEGDN/2-NDPA. Additionally, the effect of each stabilizer on the decomposition pathway was characterized by TGA-FTIR. The findings show that stabilizer type significantly affects the intensity of gaseous products released during decomposition without altering their nature. Notably, NH2 groups formed during NCC degradation play a key role in nitrogen conversion, particularly by reducing toxic NO emissions.
文摘5,5'-dithiobis(2-nitrobenzoic acid)(H_(2)DTNB)was employed as the second ligand to react with cucurbit[6]uril(Q[6])and Cd(NO_(3))_(2),and it was deprotonated or transformed into HDTNB^(-),TNB^(2-)and NSB^(2-)(H_(2)TNB=5,5'-thiobis(2-nitrobenzoic acid),H_(2)NSB=2-nitro-5-sulfobenzoic acid)under different conditions to afford three novel supramolecular assemblies with the formulas of[Cd(H_(2)O)_(4)(Q[6])](HDTNB)_(2)·3H_(2)O(1),[Cd(H_(2)O)_(6)]_(2)(TNB)_(2)·Q[6]·4H_(2)O(2)and[Cd(H_(2)O)_(5)(NSB)]_(2)·Q[6](3).Singe-crystal diffraction(SC-XRD)analysis revealed that assembly 1 is constructed from 2D[Cd(H_(2)O)_(4)(Q[6])]2+supramolecular layers and HDTNB^(-)supra molecular layers,the structure of assembly 2 is comprised of the 2D{[Cd(H_(2)O)_(6)]_(2)·Q[6]}^(4+)supramolecular layers and 1D TNB^(2-)supramolecular chains,while assembly 3 is built from the 3D Q[6]frameworks with[Cd(H_(2)O)_(5)(NSB)]supramolecular chains filled in the pores.Meanwhile,the noncovalent interactions between the ligands HDTNB^(-)/TNB^(2-)/NSB^(2-)and the outer-surface of Q[6]molecules contributed greatly to the formation of the supramolecular architecture of assemblies 1-3.CCDC:2522253,1;2522254,2;2522255,3.
文摘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.
基金supports from National Key R&D Program for Young Scientists of China(No.2022YFC3080900)the opening project of State Key Laboratory of Explosion Science and Safety Protection,Beijing Institute of Technology(No.KFJJ25-25M).
文摘With superior structural integrity and design flexibility,3D woven fabrics exhibit unique potential in ballistic protection applications.However,the anisotropic yarn distribution renders traditional 3D woven fabrics susceptible to fixed boundaries,which is not conducive to practical applications.Inspired by the motion characteristics of yarn structures,this study investigates a hybrid 3D woven fabric structure that incorporates interlayer warp yarns and normal yarns.Bending stiffness tests,yarn pull-out tests,and ballistic tests are conducted and compared with single-binding yarn structures.Utilizing a validated meso-finite element model,the dynamic deformation and energy absorption mechanisms of the hybrid configuration under impact are elucidated.The results demonstrate that synergistic interactions among various binding yarn structures maintain fabric stability in the absence of boundaries.Normal yarns inhibit horizontal slippage of warp yarns,while multi-layer warp yarns enhance resistance to weft yarn pull-out,thereby facilitating greater yarn participation in direct energy absorption.The hybrid structure exhibited the highest specific energy absorption(SEA)across different boundary conditions,with an average SEA increase of approximately 27%.These insights will facilitate the design of novel hybrid-structured 3D woven fabrics and inform the customization of lightweight protective materials.
基金supported by the Zhenjiang Key R&D Plan(GY2021009)Lianyungang City Major Technology Breakthrough(CGJBGS2104)+2 种基金National Natural Science Foundation of China under Grant(12302456)National Key Laboratory Foundation of Science and Technology on Materials under Shock and Impact under Grant(6142902241601)China Postdoctoral Science Foundation under Grants(2025M774217)。
文摘Flexible materials play a crucial role in protecting against behind armour blunt trauma(BABT).However,their compliance complicates the understanding of failure mechanisms and energy absorption.This study used a combined experimental and numerical approach to investigate the response and failure modes of a flexible ultra-high-molecular-weight polyethylene(UHMWPE)foam protective sandwich structure(UFPSS)under low-velocity impact(LVI).A finite element(FE)model,accounting for nonlinear large deformation and strain-rate-dependent material behavior,was developed for a woven-UFPSS(featuring a plain-woven fabric structure)subjected to a 50 J impact.Experimental and numerical results showed strong agreement in peak force(error<5%),maximum displacement(error<6%),and buffer time(error<8%).The impact's kinetic energy was mainly converted into internal energy of the fabric and foam materials(~50%),viscous dissipation in the foam core(12%-15%),frictional work at the contact interfaces(5%-6%),and work by the pneumatic fixture clamping force(~38%).This study provides the first investigation of the LVI performance of sandwich structures with all soft material layers,offering significant insights for the application of compliant materials in protective fields.
文摘This study presents a predictive model for condensed-phase heats of formation of metal-containing energetic complexes(MCECs)and energetic metal-organic frameworks(EMOFs),leveraging a dataset of 148 compounds.Using elemental composition,triazole rings,and metal presence,the model achieves high accuracy(R^(2)>0.94,mean absolute error(MAE)≈390 kJ/mol)for screening high-energy materials.It outperforms prior methods,particularly for polycyclic systems,offering a practical tool for safer design and risk assessment in defense and industrial applications.
基金Project(2023AH051167)supported by the Natural Science Research Project of Anhui Educational Committee,ChinaProject(AHBP2024B-04)supported by the Foundation of Anhui Engineering Research Center of New Explosive Materials and Blasting Technology,China+1 种基金Project(GXZDSYS2023103)supported by the Open Fund for Anhui Key Laboratory of Mining Construction Engineering,ChinaProjects(52274071,52404155)supported by the National Natural Science Foundation of China。
文摘Aiming at the problem of dynamic instability of hard-brittle jointed rock surrounding in deep tunnel/roadway engineering,combining with the support concepts of"coupling rigidity with flexibility"and"overcoming rigidity by flexibility",the prevention and control method with"rigid-flexible coupling(R-F-C)"was put forward.Through numerical simulation calculation,the impact damage process,acoustic emission(AE)evolution characteristics,and element stress/displacement evolution characteristics of unsupported surrounding rock structure model,rigid supporting surrounding rock structure model,and"R-F-C"supporting surrounding rock structure model under horizontal bidirectional impact loading were compared and analyzed.Based on the theory of stress wave propagation,the dynamic instability catastrophe mechanism of three kinds of supporting structure models induced by horizontal bidirectional impact loading was revealed.Based on the Mohr-Coulomb strength theory,the stress discrimination methods of dynamic catastrophe of surrounding rock induced by horizontal bidirectional impact loading under three kinds of supporting structures were proposed.Combined with the above numerical simulation study,the explosion impact physical and mechanical test of"R-F-C"surrounding rock supporting plate structure was further designed and carried out.Finally,combined with the"conceptual model of ball-cliff potential energy instability",the energy driving theory and energy transformation mechanism of impact-induced rockburst under three kinds of supporting structures were discussed deeply.The research results provided a scientific basis for further promoting the effective application of"R-F-C"supporting structure in the prevention and control of dynamic instability of deep tunnel/roadway surrounding rock.
