To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bisp...To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bispyridylanthrahydrazone(9,10‑PAH)were designed and synthesized.Utilizing 9‑PAH and 9,10‑PAH as promising anticancer ligands,their respective copper complexes,namely[Cu(L1)Cl_(2)]Cl(1)and{[Cu_(4)(μ_(2)‑Cl)_(3)Cl_(4)(9,10‑PAH)_(2)(DMSO)_(2)]Cl_(2)}_(n)(2),were subsequently synthesized,where the new ligand L1 is formed by coupling two 9‑PAH ligands in the coordination reaction.The chemical and crystal structures of 1 and 2 were elucidated by IR,MS,elemental analysis,and single‑crystal X‑ray diffraction.Complex 1 forms a mononuclear structure.L1 coordinates with Cu through its three N atoms,together with two Cl atoms,to form a five‑coordinated square pyramidal geometry.Complex 2 constitutes a polymeric structure,wherein each structural unit centrosymmetrically encompasses two five‑coordinated binuclear copper complexes(Cu1,Cu2)of 9,10‑PAH,with similar square pyramidal geometry.A chlorine atom(Cl_(2)),located at the symmetry center,bridges Cu1 and Cu1A to connect the two binuclear copper structures.Meanwhile,the two five‑coordinated Cu2 atoms symmetrically bridge the adjacent structural units via one coordinated Cl atom,respectively,thus forming a 1D chain‑like polymeric structure.In vitro anticancer activity assessments revealed that 1 and 2 showed significant cytotoxicity even higher than cisplatin.Specifically,the IC_(50)values of 2 against HeLa‑229 and SK‑OV‑3 cancer cell lines were determined to be(5.92±0.32)μmol·L^(-1)and(6.48±0.39)μmol·L^(-1),respectively.2 could also block the proliferation of HeLa‑229 cells in S phase and significantly induce cell apoptosis.In addition,fluorescence quenching competition experiments suggested that 2 might interact with DNA by an intercalative binding mode,offering insights into its underlying anticancer mechanism.CCDC:2388918,1;2388919,2.展开更多
Polymeric perylene diimide(PDI)has been evidenced as a good candidate for photocatalytic water oxidation,yet the origin of the photocatalytic oxygen evolution activity remains unclear and needs further exploration.Her...Polymeric perylene diimide(PDI)has been evidenced as a good candidate for photocatalytic water oxidation,yet the origin of the photocatalytic oxygen evolution activity remains unclear and needs further exploration.Herein,with crystal and atomic structures of the self-assembled PDI revealed from the X-ray diffraction pattern,the electronic structure is theoretically illustrated by the first-principles density functional theory calculations,suggesting the suitable band structure and the direct electronic transition for efficient photocatalytic oxygen evolution over PDI.It is confirmed that the carbonyl O atoms on the conjugation structure serve as the active sites for oxygen evolution reaction by the crystal orbital Hamiltonian group analysis.The calculations of reaction free energy changes indicate that the oxygen evolution reaction should follow the reaction pathway of H_(2)O→^(*)OH→^(*)O→^(*)OOH→^(*)O_(2)with an overpotential of 0.81 V.Through an in-depth theoretical computational analysis in the atomic and electronic structures,the origin of photocatalytic oxygen evolution activity for PDI is well illustrated,which would help the rational design and modification of polymeric photocatalysts for efficient oxygen evolution.展开更多
In this paper,the failure caused by HRAM loads which were generated by high-speed projectile penetration,and protection technology of the fluid-filled structure were explored.A bubble was preset on the projectile traj...In this paper,the failure caused by HRAM loads which were generated by high-speed projectile penetration,and protection technology of the fluid-filled structure were explored.A bubble was preset on the projectile trajectory in a fluid-filled structure.Based on the reflection and transmission phenomena of pressure waves at the gas-liquid interface and the compressibility characteristics of gases,a numerical analysis was conducted on the influence of preset bubble on projectile penetration and structural failure characteristics.The results indicate that the secondary water-entry impact phenomenon occurs when a preset bubble exists on the projectile trajectory,leading to the secondary water entry impact loads.The rarefaction waves reflected on the surface of the preset bubble cause the attenuation ratio of the initial impact pressure peak to reach 68.8%and the total specific impulse attenuation ratio to reach 48.6%.Furthermore,the larger the bubble,the faster the projectile,and the more obvious the attenuation effect.Moreover,due to the compressibility of the bubble,the global deformation attenuation ratio of the front and rear walls can reach over 80%.However,the larger the bubble size,the faster the projectile velocity,the smaller the local deformation attenuation effect of the rear wall,and the more severe the failure at the perforation of the rear wall.展开更多
Five cadmium naphthalene-diphosphonates,formulated as[Cd_(1.5)(1,4-ndpaH_(2))2(4,4'-bpyH)(4,4'-bpy)0.5(H_(2)O)_(2)]2(1),[Cd(1,4-ndpaH_(2))(1,4-bib)0.5(H_(2)O)](2),[Cd(1,4-ndpaH3)2(1,2-dpe)(H_(2)O)]·(1,2-d...Five cadmium naphthalene-diphosphonates,formulated as[Cd_(1.5)(1,4-ndpaH_(2))2(4,4'-bpyH)(4,4'-bpy)0.5(H_(2)O)_(2)]2(1),[Cd(1,4-ndpaH_(2))(1,4-bib)0.5(H_(2)O)](2),[Cd(1,4-ndpaH3)2(1,2-dpe)(H_(2)O)]·(1,2-dpe)·7H_(2)O(3),(1,2-bixH)[Cd3(1,4-ndpaH)(1,4-ndpaH_(2))2(H_(2)O)_(2)](4),and[Cd(1,4-ndpaH_(2))(H_(2)O)]·H_(2)O(5),have been synthesized from the selfassembly reactions of 1,4-naphthalenediphosphonic acid(1,4-ndpaH4)with Cd(NO3)2·4H_(2)O by introducing auxiliary ligands with variation of rigidity,such as 4,4'-bipyridine(4,4'-bpy),1,4-bis(1-imidazolyl)benzene(1,4-bib),1,2-di(4-pyridyl)ethylene(1,2-dpe),1,3-di(4-pyridyl)propane(1,3-dpp),and bis(imidazol-1-ylmethyl)benzene(1,2-bix),respectively.Structure resolution by single-crystal X-ray diffraction reveals that compound 1 possesses a layered framework,in which the{Cd3(PO2)2}trimers made up of corner-sharing two{CdO4N2}and one{CdO6}octahedra are connected by phosphonate groups,forming a ribbon,which are cross-linked by 4,4'-bipy ligands,forming a 2D layer.Compound 2 shows a 3D open-framework structure,where chains of corner-sharing{CdO4N}trigonal bipyramids and{PO3C}tetrahedra are cross-linked by 1,4-bib and/or phosphonate groups.A 1D ladder-like chain structure is found in compound 3,where the ladder-like chains made up of corner-sharing{CdO5N}octahedra and{PO3C}tetra hedra are connected by 1,4-ndpaH_(2)^(2-).Both compounds 4 and 5 obtained by the introduction of flexible ligands during the synthesis show a 2D layered structure,which is formed by ligand crosslinking double metal chains.Interestingly,In 4,flexible 1,2-bix was singly protonated,as guest molecules,filled between layer and layer,while flexible ligand 1,3-dpp is absent in 5.Photophysical measurements indicate that compounds 1-5 show ligand-centered emissions.展开更多
2-substituted-1-amino-o-carboranes 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10)(R=CH_(3),1a;R=Ph,1b)were synthesized and the reactions of these compounds with the yttrium dialkyl complex[Y(L)(CH_(2)SiMe3)_(2)](L=[2-(2,5-Me_(2)C_(...2-substituted-1-amino-o-carboranes 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10)(R=CH_(3),1a;R=Ph,1b)were synthesized and the reactions of these compounds with the yttrium dialkyl complex[Y(L)(CH_(2)SiMe3)_(2)](L=[2-(2,5-Me_(2)C_(4)H_(2)N)C_(6)H4NC(Ph)=NDipp]-,Dipp=2,6-iPr_(2)C_(6)H_(3))were investigated.The 1H NMR spectroscopy indicate that the reaction of ytrrium dialkyl complex with one equivalent of 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10) produce the mixture of ytrrium alkyl-amido complex[Y(L)(2-R-1-NH-o-C_(2)B_(10)H_(10))(CH_(2)SiMe3)](R=CH_(3),2a;R=Ph,2b)and bis(amido)complex[Y(L)(2-R-1-NH-o-C_(2)B_(10)H_(10))_(2)](R=CH_(3),3a;R=Ph,3b).The yttrium bridging imido complex[Y(L)(2-CH_(3)-1-N-o-C_(2)B_(10)H_(10))]_(2)(4a)was obtained by heating the mixture at 55℃for 12 h.Complex 3a was isolated and characterized by treating the yttrium dialkyl complex with two equivalents of 1a.The structures of complexes 3a and 4a were verified by single-crystal Xray diffraction.CCDC:2424136,3a;2424137,4a.展开更多
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
Changes to the microstructure of a hard carbon(HC)and its solid electrolyte interface(SEI)can be effective in improving the electrode kinetics.However,achieving fast charging using a simple and inexpensive strategy wi...Changes to the microstructure of a hard carbon(HC)and its solid electrolyte interface(SEI)can be effective in improving the electrode kinetics.However,achieving fast charging using a simple and inexpensive strategy without sacrificing its initial Coulombic efficiency remains a challenge in sodium ion batteries.A simple liquid-phase coating approach has been used to generate a pitch-derived soft carbon layer on the HC surface,and its effect on the porosity of HC and SEI chemistry has been studied.A variety of structural characterizations show a soft carbon coating can increase the defect and ultra-micropore contents.The increase in ultra-micropore comes from both the soft carbon coatings and the larger pores within the HC that are partially filled by pitch,which provides more Na+storage sites.In-situ FTIR/EIS and ex-situ XPS showed that the soft carbon coating induced the formation of thinner SEI that is richer in NaF from the electrolyte,which stabilized the interface and promoted the charge transfer process.As a result,the anode produced fastcharging(329.8 mAh g^(−1)at 30 mA g^(−1)and 198.6 mAh g^(−1)at 300 mA g^(−1))and had a better cycling performance(a high capacity retention of 81.4%after 100 cycles at 150 mA g^(−1)).This work reveals the critical role of coating layer in changing the pore structure,SEI chemistry and diffusion kinetics of hard carbon,which enables rational design of sodium-ion battery anode with enhanced fast charging capability.展开更多
A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]py...A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]pyrazine scaffold was serendipitously prepared from the reaction of the pro-ligand of H_(2)L1(N,N'-bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide) with CuSO_(4)·5H_(2O) in aqueous solution at room temperature.Complex 1 was characterized by IR,single-crystal X-ray analysis,and magnetic susceptibility measurements.Single-crystal X-ray analysis reveals that the complex consists of three Cu(Ⅱ) ions,two in situ transformed L2~-ligands,two coordinated sulfates,seven coordinated water molecules,and eight uncoordinated water molecules.Magnetic susceptibility measurement indicates that there are obvious ferromagnetic coupling interactions between the adjacent Cu(Ⅱ) ions in 1.CCDC:1852713.展开更多
The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and...The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and[Mg_(2)(L)_(2)(DMSO)_(3)(H_(2)O)](2)with a 2D(4,4)-net structure.Interestingly,the two compounds exhibit distinct luminescent responses to external mechanical stimuli.1 exhibited exceptional resistance mechanical chromic luminescence(RMCL),which can be attributed to the predominant hydrogen bonds and the presence of high-boiling-point solvent molecules within its structure.2 had a reversible MCL property,which can be attributed to the dominantπ-πweak interactions,coupled with the reversible destruction/restoration of its crystallinity under grinding/fumigation.CCDC:2410963,1;2410964,2.展开更多
Biomass-derived hard carbons,usually prepared by pyrolysis,are widely considered the most promising anode materials for sodium-ion bat-teries(SIBs)due to their high capacity,low poten-tial,sustainability,cost-effectiv...Biomass-derived hard carbons,usually prepared by pyrolysis,are widely considered the most promising anode materials for sodium-ion bat-teries(SIBs)due to their high capacity,low poten-tial,sustainability,cost-effectiveness,and environ-mental friendliness.The pyrolysis method affects the microstructure of the material,and ultimately its so-dium storage performance.Our previous work has shown that pyrolysis in a sealed graphite vessel im-proved the sodium storage performance of the car-bon,however the changes in its microstructure and the way this influences the sodium storage are still unclear.A series of hard carbon materials derived from corncobs(CCG-T,where T is the pyrolysis temperature)were pyrolyzed in a sealed graphite vessel at different temperatures.As the pyrolysis temperature increased from 1000 to 1400℃ small carbon domains gradually transformed into long and curved domains.At the same time,a greater number of large open pores with uniform apertures,as well as more closed pores,were formed.With the further increase of pyrolysis temperature to 1600℃,the long and curved domains became longer and straighter,and some closed pores gradually became open.CCG-1400,with abundant closed pores,had a superior SIB performance,with an initial reversible ca-pacity of 320.73 mAh g^(-1) at a current density of 30 mA g^(-1),an initial Coulomb efficiency(ICE)of 84.34%,and a capacity re-tention of 96.70%after 100 cycles.This study provides a method for the precise regulation of the microcrystalline and pore structures of hard carbon materials.展开更多
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
A new cobalt(Ⅱ)-radical complex:[Co(im4-py)_(2)(PNB)_(2)](im4-py=2-(4'-pyridyl)-4,4,5,5-tetramethylimidazole-1-oxyl,HPNB=p-nitrobenzoic acid)has been synthesized and characterized by X-ray diffraction analysis,el...A new cobalt(Ⅱ)-radical complex:[Co(im4-py)_(2)(PNB)_(2)](im4-py=2-(4'-pyridyl)-4,4,5,5-tetramethylimidazole-1-oxyl,HPNB=p-nitrobenzoic acid)has been synthesized and characterized by X-ray diffraction analysis,elemental analysis,IR,and magnetic properties.X-ray diffraction analysis shows that the complex exists as mononuclear molecules and Co(Ⅱ)ion is four-coordinated with two radicals and two PNB-ligands.The magnetic susceptibility study indicates the complex exhibits weak ferromagnetic interactions between cobalt(Ⅱ)and im4-py radical.The magnetic property is explained by the magnetic and structure exchange mechanism.CCDC:976028.展开更多
Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfull...Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy,elemental analyses,single-crystal X-ray diffraction,powder X-ray diffraction,and thermogravimetric analysis.The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.Meanwhile,complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.In addition,both 1and 2 exhibited luminescent properties in the solid state.Furthermore,quantum chemical calculations were carried out on the"molecular fragments"extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian 16 program.The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ)ions.CCDC:2332173,1;2332176,2.展开更多
The compression and energy absorption properties of foam geopolymers increase stress wave attenuation under explosion impacts,reducing the vibration effect on the structure.Explosion tests were conducted using several...The compression and energy absorption properties of foam geopolymers increase stress wave attenuation under explosion impacts,reducing the vibration effect on the structure.Explosion tests were conducted using several composite structure models,including a concrete lining structure(CLS)without foam geopolymer and six foam geopolymer composite structures(FGCS)with different backfill parameters,to study the dynamic response and wave dissipation mechanisms of FGCS under explosive loading.Pressure,strain,and vibration responses at different locations were synchronously tested.The damage modes and dynamic responses of different models were compared,and how wave elimination and energy absorption efficiencies were affected by foam geopolymer backfill parameters was analyzed.The results showed that the foam geopolymer absorbed and dissipated the impact energy through continuous compressive deformation under high strain rates and dynamic loading,reducing the strain in the liner structure by 52%and increasing the pressure attenuation rate by 28%.Additionally,the foam geopolymer backfill reduced structural vibration and liner deformation,with the FGCS structure showing 35%less displacement and 70%less acceleration compared to the CLS.The FGCS model with thicker,less dense foam geopolymer backfill,having more pores and higher porosity,demonstrated better compression and energy absorption under dynamic impact,increasing stress wave attenuation efficiency.By analyzing the stress wave propagation and the compression characteristics of the porous medium,it was concluded that the stress transfer ratio of FGCS-ρ-579 was 77%lower than that of CLS,and the transmitted wave energy was 90%lower.The results of this study provide a scientific basis for optimizing underground composite structure interlayer parameters.展开更多
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
As cathode materials for alkali-ion batteries,sodium manganese oxides have been receiving considerable and continuous attention in recent decades.In this work,the structure and environment-dependent stability of NaMn_...As cathode materials for alkali-ion batteries,sodium manganese oxides have been receiving considerable and continuous attention in recent decades.In this work,the structure and environment-dependent stability of NaMn_(2)O_(4) surface were studied based on the first principles calculations.The surface stability diagram of NaMn_(2)O_(4) involving various different terminations of(100),(110)and(111)surfaces was constructed,and the stability of these different terminations could be compared as a function of chemical environment.It is found that the(100)-MnO and(111)-ONa terminations are two more stable terminations under the investigated chemical conditions.And the surface energies of(110)surfaces are negative under the investigated chemical potential,hence,(110)surfaces are unstable.The surface energy of NaMn_(2)O_(4) as a function of O chemical potential is also investigated under constant Na chemical potential.The structure relaxation indicates that the surface rumpling and surface reconstruction can affect the electronic structure of the surface,thereby reducing surface energy and stabilizing the surface.Furthermore,the Wulff shape of NaMn_(2)O_(4) was also constructed based on Gibbs-Wulff theorem.展开更多
The advancement of rail transportation necessitates energy absorption structures that not only ensure safety but also optimize space utilization,a critical yet often overlooked aspect in existing designs.This study pr...The advancement of rail transportation necessitates energy absorption structures that not only ensure safety but also optimize space utilization,a critical yet often overlooked aspect in existing designs.This study presents a compact energy absorption structure(CE)that integrates the advantages of cutting rings and thin-walled tube modules,offering a solution with the high space utilization and the superior crashworthiness.Through theoretical modeling and experimental validation using a drop-weight test system,we analyzed the dynamic response and energy absorption characteristics of the CE.Comparative analysis with existing structures,namely the cutting shear rings(CSR)energy absorption structure and thin-walled tube structure(TW),revealed that the CE significantly improves specific energy absorption(SEA)by 102.76%and 61.54%,respectively,and optimizes crush force efficiency(CFE)by increasing 8.23%and 5.49%compared to CSR and TW.The innovative design of the CE,featuring deformation gradient and delay response strategies,showcases its potential for practical application in engineering,advancing the field of crashworthiness engineering.展开更多
This study designs four types of liquid-filled cylindrical shell structures to investigate their protection characteristics against explosive shock waves and high-speed fragments.Bare charge and charge-driven prefabri...This study designs four types of liquid-filled cylindrical shell structures to investigate their protection characteristics against explosive shock waves and high-speed fragments.Bare charge and charge-driven prefabricated fragments are employed to examine the damage under blast shock waves and combined blast and fragments loading on various liquid-filled cylindrical shell structures.The test results are compared to numerical calculations and theoretical analysis for the structure's deformation,the liquid medium's movement,and the pressure waves'propagation characteristics under different liquid-filling methods.The results showed that the filling method influences the blast protection and the struc-ture's energy absorption performance.The external filling method reduces the structural deformation,and the internal filling method increases the damage effect.The gapped internal filling method improves the structure's energy absorption efficiency.The pressure wave loading on the liquid-filled cylindrical shell structure differs depending on filling methods.Explosive shock waves and high-speed fragments show a damage enhancement effect on the liquid-filled cylindrical shell structure,depending on the thickness of the internal liquid container layer.The specific impulse on the inner surface of the cylindrical shell positively correlates to the radial deformation of the cylindrical shell structure,and the external liquid layer limits the radial structural deformation.展开更多
Recent advances in additive manufacturing have enabled the construction of metallic lattice structures with tailored mechanical and functional properties.One potential application of metallic lattice struc-tures is in...Recent advances in additive manufacturing have enabled the construction of metallic lattice structures with tailored mechanical and functional properties.One potential application of metallic lattice struc-tures is in the impact load mitigation where an external kinetic energy is absorbed by the deformation/crushing of lattice cells.This has motivated a growing number of experimental and numerical studies,recently,on the crushing behavior of additively produced lattice structures.The present study overviews the dynamic and quasi-static crushing behavior of additively produced Ti64,316L,and AlSiMg alloy lattice structures.The first part of the study summarizes the main features of two most commonly used additive processing techniques for lattice structures,namely selective-laser-melt(SLM)and electro-beam-melt(EBM),along with a description of commonly observed process induced defects.In the second part,the deformation and strain rate sensitivities of the selected alloy lattices are outlined together with the most widely used dynamic test methods,followed by a part on the observed micro-structures of the SLM and EBM-processed Ti64,316L and AlSiMg alloys.Finally,the experimental and numerical studies on the quasi-static and dynamic compression behavior of the additively processed Ti64,316L,and AlSiMg alloy lattices are reviewed.The results of the experimental and numerical studies of the dynamic properties of various types of lattices,including graded,non-uniform strut size,hollow,non-uniform cell size,and bio-inspired,were tabulated together with the used dynamic testing methods.The dynamic tests have been noted to be mostly conducted in compression Split Hopkinson Pressure Bar(SHPB)or Taylor-and direct-impact tests using the SHPB set-up,in all of which relatively small-size test specimens were tested.The test specimen size effect on the compression behavior of the lattices was further emphasized.It has also been shown that the lattices of Ti64 and AlSiMg alloys are relatively brittle as compared with the lattices of 316L alloy.Finally,the challenges associated with modelling lattice structures were explained and the micro tension tests and multi-scale modeling techniques combining microstructural characteristics with macroscopic lattice dynamics were recommended to improve the accuracy of the numerical simulations of the dynamic compression deformations of metallic lattice structures.展开更多
A launching system with a filter cartridge structure was proposed to improve the muzzle velocity of the projectile.The combustion chamber of the launching system is divided into two fixed chambers,one is located in th...A launching system with a filter cartridge structure was proposed to improve the muzzle velocity of the projectile.The combustion chamber of the launching system is divided into two fixed chambers,one is located in the breech chamber,and the other is arranged in the barrel.The breech chamber charge was ignited first,and the charges in the auxiliary chambers were ignited by the high-temperature,highpressure combustible gas trailing the projectile.In this way,the combustible gas in the auxiliary chambers could compensate for the pressure drop caused by the movement of the projectile.The proposed device features the advantage of launching a projectile with high muzzle velocity without exceeding the maximum pressure in the chamber.In order to obtain some internal ballistic characteristics of the launch system,some critical structure,such as the length of the filter cartridge auxiliary charge,the combustion degree of the propellant in the chamber,and the length of the barrel,are discussed.The experimental results show that with the increased auxiliary charge length,a pressure plateau or even a secondary peak pressure can be formed,which is less than the peak pressure.The projectile velocity increased by 23.57%,14.64%,and 7.65%when the diaphragm thickness was 0 mm,1 mm,and2 mm,respectively.The muzzle velocity of the projectile can be increased by 13.42%by increasing the length of the barrel.Under the same charge condition,with the increase of barrel length,the energy utilization rate of propellant increases by 28.64%.展开更多
文摘To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bispyridylanthrahydrazone(9,10‑PAH)were designed and synthesized.Utilizing 9‑PAH and 9,10‑PAH as promising anticancer ligands,their respective copper complexes,namely[Cu(L1)Cl_(2)]Cl(1)and{[Cu_(4)(μ_(2)‑Cl)_(3)Cl_(4)(9,10‑PAH)_(2)(DMSO)_(2)]Cl_(2)}_(n)(2),were subsequently synthesized,where the new ligand L1 is formed by coupling two 9‑PAH ligands in the coordination reaction.The chemical and crystal structures of 1 and 2 were elucidated by IR,MS,elemental analysis,and single‑crystal X‑ray diffraction.Complex 1 forms a mononuclear structure.L1 coordinates with Cu through its three N atoms,together with two Cl atoms,to form a five‑coordinated square pyramidal geometry.Complex 2 constitutes a polymeric structure,wherein each structural unit centrosymmetrically encompasses two five‑coordinated binuclear copper complexes(Cu1,Cu2)of 9,10‑PAH,with similar square pyramidal geometry.A chlorine atom(Cl_(2)),located at the symmetry center,bridges Cu1 and Cu1A to connect the two binuclear copper structures.Meanwhile,the two five‑coordinated Cu2 atoms symmetrically bridge the adjacent structural units via one coordinated Cl atom,respectively,thus forming a 1D chain‑like polymeric structure.In vitro anticancer activity assessments revealed that 1 and 2 showed significant cytotoxicity even higher than cisplatin.Specifically,the IC_(50)values of 2 against HeLa‑229 and SK‑OV‑3 cancer cell lines were determined to be(5.92±0.32)μmol·L^(-1)and(6.48±0.39)μmol·L^(-1),respectively.2 could also block the proliferation of HeLa‑229 cells in S phase and significantly induce cell apoptosis.In addition,fluorescence quenching competition experiments suggested that 2 might interact with DNA by an intercalative binding mode,offering insights into its underlying anticancer mechanism.CCDC:2388918,1;2388919,2.
基金supported by National Natural Science Foundation of China(No.523B2070,No.52225606).
文摘Polymeric perylene diimide(PDI)has been evidenced as a good candidate for photocatalytic water oxidation,yet the origin of the photocatalytic oxygen evolution activity remains unclear and needs further exploration.Herein,with crystal and atomic structures of the self-assembled PDI revealed from the X-ray diffraction pattern,the electronic structure is theoretically illustrated by the first-principles density functional theory calculations,suggesting the suitable band structure and the direct electronic transition for efficient photocatalytic oxygen evolution over PDI.It is confirmed that the carbonyl O atoms on the conjugation structure serve as the active sites for oxygen evolution reaction by the crystal orbital Hamiltonian group analysis.The calculations of reaction free energy changes indicate that the oxygen evolution reaction should follow the reaction pathway of H_(2)O→^(*)OH→^(*)O→^(*)OOH→^(*)O_(2)with an overpotential of 0.81 V.Through an in-depth theoretical computational analysis in the atomic and electronic structures,the origin of photocatalytic oxygen evolution activity for PDI is well illustrated,which would help the rational design and modification of polymeric photocatalysts for efficient oxygen evolution.
文摘In this paper,the failure caused by HRAM loads which were generated by high-speed projectile penetration,and protection technology of the fluid-filled structure were explored.A bubble was preset on the projectile trajectory in a fluid-filled structure.Based on the reflection and transmission phenomena of pressure waves at the gas-liquid interface and the compressibility characteristics of gases,a numerical analysis was conducted on the influence of preset bubble on projectile penetration and structural failure characteristics.The results indicate that the secondary water-entry impact phenomenon occurs when a preset bubble exists on the projectile trajectory,leading to the secondary water entry impact loads.The rarefaction waves reflected on the surface of the preset bubble cause the attenuation ratio of the initial impact pressure peak to reach 68.8%and the total specific impulse attenuation ratio to reach 48.6%.Furthermore,the larger the bubble,the faster the projectile,and the more obvious the attenuation effect.Moreover,due to the compressibility of the bubble,the global deformation attenuation ratio of the front and rear walls can reach over 80%.However,the larger the bubble size,the faster the projectile velocity,the smaller the local deformation attenuation effect of the rear wall,and the more severe the failure at the perforation of the rear wall.
文摘Five cadmium naphthalene-diphosphonates,formulated as[Cd_(1.5)(1,4-ndpaH_(2))2(4,4'-bpyH)(4,4'-bpy)0.5(H_(2)O)_(2)]2(1),[Cd(1,4-ndpaH_(2))(1,4-bib)0.5(H_(2)O)](2),[Cd(1,4-ndpaH3)2(1,2-dpe)(H_(2)O)]·(1,2-dpe)·7H_(2)O(3),(1,2-bixH)[Cd3(1,4-ndpaH)(1,4-ndpaH_(2))2(H_(2)O)_(2)](4),and[Cd(1,4-ndpaH_(2))(H_(2)O)]·H_(2)O(5),have been synthesized from the selfassembly reactions of 1,4-naphthalenediphosphonic acid(1,4-ndpaH4)with Cd(NO3)2·4H_(2)O by introducing auxiliary ligands with variation of rigidity,such as 4,4'-bipyridine(4,4'-bpy),1,4-bis(1-imidazolyl)benzene(1,4-bib),1,2-di(4-pyridyl)ethylene(1,2-dpe),1,3-di(4-pyridyl)propane(1,3-dpp),and bis(imidazol-1-ylmethyl)benzene(1,2-bix),respectively.Structure resolution by single-crystal X-ray diffraction reveals that compound 1 possesses a layered framework,in which the{Cd3(PO2)2}trimers made up of corner-sharing two{CdO4N2}and one{CdO6}octahedra are connected by phosphonate groups,forming a ribbon,which are cross-linked by 4,4'-bipy ligands,forming a 2D layer.Compound 2 shows a 3D open-framework structure,where chains of corner-sharing{CdO4N}trigonal bipyramids and{PO3C}tetrahedra are cross-linked by 1,4-bib and/or phosphonate groups.A 1D ladder-like chain structure is found in compound 3,where the ladder-like chains made up of corner-sharing{CdO5N}octahedra and{PO3C}tetra hedra are connected by 1,4-ndpaH_(2)^(2-).Both compounds 4 and 5 obtained by the introduction of flexible ligands during the synthesis show a 2D layered structure,which is formed by ligand crosslinking double metal chains.Interestingly,In 4,flexible 1,2-bix was singly protonated,as guest molecules,filled between layer and layer,while flexible ligand 1,3-dpp is absent in 5.Photophysical measurements indicate that compounds 1-5 show ligand-centered emissions.
文摘2-substituted-1-amino-o-carboranes 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10)(R=CH_(3),1a;R=Ph,1b)were synthesized and the reactions of these compounds with the yttrium dialkyl complex[Y(L)(CH_(2)SiMe3)_(2)](L=[2-(2,5-Me_(2)C_(4)H_(2)N)C_(6)H4NC(Ph)=NDipp]-,Dipp=2,6-iPr_(2)C_(6)H_(3))were investigated.The 1H NMR spectroscopy indicate that the reaction of ytrrium dialkyl complex with one equivalent of 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10) produce the mixture of ytrrium alkyl-amido complex[Y(L)(2-R-1-NH-o-C_(2)B_(10)H_(10))(CH_(2)SiMe3)](R=CH_(3),2a;R=Ph,2b)and bis(amido)complex[Y(L)(2-R-1-NH-o-C_(2)B_(10)H_(10))_(2)](R=CH_(3),3a;R=Ph,3b).The yttrium bridging imido complex[Y(L)(2-CH_(3)-1-N-o-C_(2)B_(10)H_(10))]_(2)(4a)was obtained by heating the mixture at 55℃for 12 h.Complex 3a was isolated and characterized by treating the yttrium dialkyl complex with two equivalents of 1a.The structures of complexes 3a and 4a were verified by single-crystal Xray diffraction.CCDC:2424136,3a;2424137,4a.
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National Key Research and Development Program of China(2022YFE0206300)National Natural Science Foundation of China(U21A2081,22075074,22209047)+2 种基金Guangdong Basic and Applied Basic Research Foundation(2024A1515011620)Hunan Provincial Natural Science Foundation of China(2024JJ5068)Foundation of Yuelushan Center for Industrial Innovation(2023YCII0119)。
文摘Changes to the microstructure of a hard carbon(HC)and its solid electrolyte interface(SEI)can be effective in improving the electrode kinetics.However,achieving fast charging using a simple and inexpensive strategy without sacrificing its initial Coulombic efficiency remains a challenge in sodium ion batteries.A simple liquid-phase coating approach has been used to generate a pitch-derived soft carbon layer on the HC surface,and its effect on the porosity of HC and SEI chemistry has been studied.A variety of structural characterizations show a soft carbon coating can increase the defect and ultra-micropore contents.The increase in ultra-micropore comes from both the soft carbon coatings and the larger pores within the HC that are partially filled by pitch,which provides more Na+storage sites.In-situ FTIR/EIS and ex-situ XPS showed that the soft carbon coating induced the formation of thinner SEI that is richer in NaF from the electrolyte,which stabilized the interface and promoted the charge transfer process.As a result,the anode produced fastcharging(329.8 mAh g^(−1)at 30 mA g^(−1)and 198.6 mAh g^(−1)at 300 mA g^(−1))and had a better cycling performance(a high capacity retention of 81.4%after 100 cycles at 150 mA g^(−1)).This work reveals the critical role of coating layer in changing the pore structure,SEI chemistry and diffusion kinetics of hard carbon,which enables rational design of sodium-ion battery anode with enhanced fast charging capability.
文摘A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]pyrazine scaffold was serendipitously prepared from the reaction of the pro-ligand of H_(2)L1(N,N'-bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide) with CuSO_(4)·5H_(2O) in aqueous solution at room temperature.Complex 1 was characterized by IR,single-crystal X-ray analysis,and magnetic susceptibility measurements.Single-crystal X-ray analysis reveals that the complex consists of three Cu(Ⅱ) ions,two in situ transformed L2~-ligands,two coordinated sulfates,seven coordinated water molecules,and eight uncoordinated water molecules.Magnetic susceptibility measurement indicates that there are obvious ferromagnetic coupling interactions between the adjacent Cu(Ⅱ) ions in 1.CCDC:1852713.
文摘The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and[Mg_(2)(L)_(2)(DMSO)_(3)(H_(2)O)](2)with a 2D(4,4)-net structure.Interestingly,the two compounds exhibit distinct luminescent responses to external mechanical stimuli.1 exhibited exceptional resistance mechanical chromic luminescence(RMCL),which can be attributed to the predominant hydrogen bonds and the presence of high-boiling-point solvent molecules within its structure.2 had a reversible MCL property,which can be attributed to the dominantπ-πweak interactions,coupled with the reversible destruction/restoration of its crystallinity under grinding/fumigation.CCDC:2410963,1;2410964,2.
文摘Biomass-derived hard carbons,usually prepared by pyrolysis,are widely considered the most promising anode materials for sodium-ion bat-teries(SIBs)due to their high capacity,low poten-tial,sustainability,cost-effectiveness,and environ-mental friendliness.The pyrolysis method affects the microstructure of the material,and ultimately its so-dium storage performance.Our previous work has shown that pyrolysis in a sealed graphite vessel im-proved the sodium storage performance of the car-bon,however the changes in its microstructure and the way this influences the sodium storage are still unclear.A series of hard carbon materials derived from corncobs(CCG-T,where T is the pyrolysis temperature)were pyrolyzed in a sealed graphite vessel at different temperatures.As the pyrolysis temperature increased from 1000 to 1400℃ small carbon domains gradually transformed into long and curved domains.At the same time,a greater number of large open pores with uniform apertures,as well as more closed pores,were formed.With the further increase of pyrolysis temperature to 1600℃,the long and curved domains became longer and straighter,and some closed pores gradually became open.CCG-1400,with abundant closed pores,had a superior SIB performance,with an initial reversible ca-pacity of 320.73 mAh g^(-1) at a current density of 30 mA g^(-1),an initial Coulomb efficiency(ICE)of 84.34%,and a capacity re-tention of 96.70%after 100 cycles.This study provides a method for the precise regulation of the microcrystalline and pore structures of hard carbon materials.
文摘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.
文摘A new cobalt(Ⅱ)-radical complex:[Co(im4-py)_(2)(PNB)_(2)](im4-py=2-(4'-pyridyl)-4,4,5,5-tetramethylimidazole-1-oxyl,HPNB=p-nitrobenzoic acid)has been synthesized and characterized by X-ray diffraction analysis,elemental analysis,IR,and magnetic properties.X-ray diffraction analysis shows that the complex exists as mononuclear molecules and Co(Ⅱ)ion is four-coordinated with two radicals and two PNB-ligands.The magnetic susceptibility study indicates the complex exhibits weak ferromagnetic interactions between cobalt(Ⅱ)and im4-py radical.The magnetic property is explained by the magnetic and structure exchange mechanism.CCDC:976028.
文摘Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy,elemental analyses,single-crystal X-ray diffraction,powder X-ray diffraction,and thermogravimetric analysis.The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.Meanwhile,complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.In addition,both 1and 2 exhibited luminescent properties in the solid state.Furthermore,quantum chemical calculations were carried out on the"molecular fragments"extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian 16 program.The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ)ions.CCDC:2332173,1;2332176,2.
基金financially supported by the National Natural Science Foundation of China(Grant Nos.52378401,12202494)the Fundamental Research Funds for the Central Universities(Grant No.30922010918)。
文摘The compression and energy absorption properties of foam geopolymers increase stress wave attenuation under explosion impacts,reducing the vibration effect on the structure.Explosion tests were conducted using several composite structure models,including a concrete lining structure(CLS)without foam geopolymer and six foam geopolymer composite structures(FGCS)with different backfill parameters,to study the dynamic response and wave dissipation mechanisms of FGCS under explosive loading.Pressure,strain,and vibration responses at different locations were synchronously tested.The damage modes and dynamic responses of different models were compared,and how wave elimination and energy absorption efficiencies were affected by foam geopolymer backfill parameters was analyzed.The results showed that the foam geopolymer absorbed and dissipated the impact energy through continuous compressive deformation under high strain rates and dynamic loading,reducing the strain in the liner structure by 52%and increasing the pressure attenuation rate by 28%.Additionally,the foam geopolymer backfill reduced structural vibration and liner deformation,with the FGCS structure showing 35%less displacement and 70%less acceleration compared to the CLS.The FGCS model with thicker,less dense foam geopolymer backfill,having more pores and higher porosity,demonstrated better compression and energy absorption under dynamic impact,increasing stress wave attenuation efficiency.By analyzing the stress wave propagation and the compression characteristics of the porous medium,it was concluded that the stress transfer ratio of FGCS-ρ-579 was 77%lower than that of CLS,and the transmitted wave energy was 90%lower.The results of this study provide a scientific basis for optimizing underground composite structure interlayer parameters.
基金Project(41877240)supported by the National Natural Science Foundation of China。
文摘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.
基金Project(BK20241969)supported by the Natural Science Foundation of Jiangsu Province,ChinaProject(51971249)supported by the National Natural Science Foundation of China。
文摘As cathode materials for alkali-ion batteries,sodium manganese oxides have been receiving considerable and continuous attention in recent decades.In this work,the structure and environment-dependent stability of NaMn_(2)O_(4) surface were studied based on the first principles calculations.The surface stability diagram of NaMn_(2)O_(4) involving various different terminations of(100),(110)and(111)surfaces was constructed,and the stability of these different terminations could be compared as a function of chemical environment.It is found that the(100)-MnO and(111)-ONa terminations are two more stable terminations under the investigated chemical conditions.And the surface energies of(110)surfaces are negative under the investigated chemical potential,hence,(110)surfaces are unstable.The surface energy of NaMn_(2)O_(4) as a function of O chemical potential is also investigated under constant Na chemical potential.The structure relaxation indicates that the surface rumpling and surface reconstruction can affect the electronic structure of the surface,thereby reducing surface energy and stabilizing the surface.Furthermore,the Wulff shape of NaMn_(2)O_(4) was also constructed based on Gibbs-Wulff theorem.
基金Project(12272414)supported by the National Natural Science Foundation of ChinaProject(2023RC3045)supported by the Science and Technology Innovation Plan of Hunan Province,China。
文摘The advancement of rail transportation necessitates energy absorption structures that not only ensure safety but also optimize space utilization,a critical yet often overlooked aspect in existing designs.This study presents a compact energy absorption structure(CE)that integrates the advantages of cutting rings and thin-walled tube modules,offering a solution with the high space utilization and the superior crashworthiness.Through theoretical modeling and experimental validation using a drop-weight test system,we analyzed the dynamic response and energy absorption characteristics of the CE.Comparative analysis with existing structures,namely the cutting shear rings(CSR)energy absorption structure and thin-walled tube structure(TW),revealed that the CE significantly improves specific energy absorption(SEA)by 102.76%and 61.54%,respectively,and optimizes crush force efficiency(CFE)by increasing 8.23%and 5.49%compared to CSR and TW.The innovative design of the CE,featuring deformation gradient and delay response strategies,showcases its potential for practical application in engineering,advancing the field of crashworthiness engineering.
基金the National Natural Science Foundation of China(Grant Nos.52371342,52271338,52101378 and 51979277)。
文摘This study designs four types of liquid-filled cylindrical shell structures to investigate their protection characteristics against explosive shock waves and high-speed fragments.Bare charge and charge-driven prefabricated fragments are employed to examine the damage under blast shock waves and combined blast and fragments loading on various liquid-filled cylindrical shell structures.The test results are compared to numerical calculations and theoretical analysis for the structure's deformation,the liquid medium's movement,and the pressure waves'propagation characteristics under different liquid-filling methods.The results showed that the filling method influences the blast protection and the struc-ture's energy absorption performance.The external filling method reduces the structural deformation,and the internal filling method increases the damage effect.The gapped internal filling method improves the structure's energy absorption efficiency.The pressure wave loading on the liquid-filled cylindrical shell structure differs depending on filling methods.Explosive shock waves and high-speed fragments show a damage enhancement effect on the liquid-filled cylindrical shell structure,depending on the thickness of the internal liquid container layer.The specific impulse on the inner surface of the cylindrical shell positively correlates to the radial deformation of the cylindrical shell structure,and the external liquid layer limits the radial structural deformation.
基金the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No 101034425 for the project titled A2M2TECHThe Scientific and Technological Research Council of Türkiye (TUBITAK) with grant No 120C158 for the same A2M2TECH project under the TUBITAK's 2236/B program
文摘Recent advances in additive manufacturing have enabled the construction of metallic lattice structures with tailored mechanical and functional properties.One potential application of metallic lattice struc-tures is in the impact load mitigation where an external kinetic energy is absorbed by the deformation/crushing of lattice cells.This has motivated a growing number of experimental and numerical studies,recently,on the crushing behavior of additively produced lattice structures.The present study overviews the dynamic and quasi-static crushing behavior of additively produced Ti64,316L,and AlSiMg alloy lattice structures.The first part of the study summarizes the main features of two most commonly used additive processing techniques for lattice structures,namely selective-laser-melt(SLM)and electro-beam-melt(EBM),along with a description of commonly observed process induced defects.In the second part,the deformation and strain rate sensitivities of the selected alloy lattices are outlined together with the most widely used dynamic test methods,followed by a part on the observed micro-structures of the SLM and EBM-processed Ti64,316L and AlSiMg alloys.Finally,the experimental and numerical studies on the quasi-static and dynamic compression behavior of the additively processed Ti64,316L,and AlSiMg alloy lattices are reviewed.The results of the experimental and numerical studies of the dynamic properties of various types of lattices,including graded,non-uniform strut size,hollow,non-uniform cell size,and bio-inspired,were tabulated together with the used dynamic testing methods.The dynamic tests have been noted to be mostly conducted in compression Split Hopkinson Pressure Bar(SHPB)or Taylor-and direct-impact tests using the SHPB set-up,in all of which relatively small-size test specimens were tested.The test specimen size effect on the compression behavior of the lattices was further emphasized.It has also been shown that the lattices of Ti64 and AlSiMg alloys are relatively brittle as compared with the lattices of 316L alloy.Finally,the challenges associated with modelling lattice structures were explained and the micro tension tests and multi-scale modeling techniques combining microstructural characteristics with macroscopic lattice dynamics were recommended to improve the accuracy of the numerical simulations of the dynamic compression deformations of metallic lattice structures.
基金financially supported by the National Natural Science Foundation of China under Project No.51874267 and No.12272374the Fundamental Research Funds for the Central Universities under Project Nos.WK2480000008,WK2480000007,and WK2320000049。
文摘A launching system with a filter cartridge structure was proposed to improve the muzzle velocity of the projectile.The combustion chamber of the launching system is divided into two fixed chambers,one is located in the breech chamber,and the other is arranged in the barrel.The breech chamber charge was ignited first,and the charges in the auxiliary chambers were ignited by the high-temperature,highpressure combustible gas trailing the projectile.In this way,the combustible gas in the auxiliary chambers could compensate for the pressure drop caused by the movement of the projectile.The proposed device features the advantage of launching a projectile with high muzzle velocity without exceeding the maximum pressure in the chamber.In order to obtain some internal ballistic characteristics of the launch system,some critical structure,such as the length of the filter cartridge auxiliary charge,the combustion degree of the propellant in the chamber,and the length of the barrel,are discussed.The experimental results show that with the increased auxiliary charge length,a pressure plateau or even a secondary peak pressure can be formed,which is less than the peak pressure.The projectile velocity increased by 23.57%,14.64%,and 7.65%when the diaphragm thickness was 0 mm,1 mm,and2 mm,respectively.The muzzle velocity of the projectile can be increased by 13.42%by increasing the length of the barrel.Under the same charge condition,with the increase of barrel length,the energy utilization rate of propellant increases by 28.64%.
