Fine-grained nuclear graphite is a key material in high-temperature gas-cooled reactors(HTGRs).During air ingress accidents,core graphite components undergo severe oxidation,threatening structural integrity.Therefore,...Fine-grained nuclear graphite is a key material in high-temperature gas-cooled reactors(HTGRs).During air ingress accidents,core graphite components undergo severe oxidation,threatening structural integrity.Therefore,understanding the oxidation behavior of nuclear graphite is essential for reactor safety.The influence of oxidation involves multiple factors,including temperature,sample size,oxidant,impurities,filler type and size,etc.The size of the filler particles plays a crucial role in this study.Five ultrafine-and superfine-grained nuclear graphite samples(5.9-34.4μm)are manufactured using identical raw materials and manufacturing processes.Isothermal oxidation tests conducted at 650℃-750℃ are used to study the oxidation behavior.Additionally,comprehensive characterization is performed to analyze the crystal structure,surface morphology,and nanoscale to microscale pore structure of the samples.Results indicate that oxidation behavior cannot be predicted solely based on filler grain size.Reactive site concentration,characterized by active surface area,dominates the chemical reaction kinetics,whereas pore tortuosity,quantified by the structural parameterΨ,plays a key role in regulating oxidant diffusion.These findings clarify the dual role of microstructure in oxidation mechanisms and establish a theoretical and experimental basis for the design of high-performance nuclear graphite capable of long-term service in high-temperature gas-cooled reactors.展开更多
AIM:To investigate the effects of shortening the duration of silicone oil tamponade on retinal structure and function in patients undergoing silicone oil removal(SOR)after surgery for primary rhegmatogenous retinal de...AIM:To investigate the effects of shortening the duration of silicone oil tamponade on retinal structure and function in patients undergoing silicone oil removal(SOR)after surgery for primary rhegmatogenous retinal detachment(RRD).METHODS:A total of 58 eligible patients were enrolled and randomly assigned to two groups based on tamponade duration:the short-term group(30-45d)and the conventional group(≥90d).Comprehensive evaluations were performed before and after SOR,including slitlamp examination,best-corrected visual acuity(BCVA)measurement,intraocular pressure(IOP)testing,optical coherence tomography(OCT),optical coherence tomography angiography(OCTA),microperimetry,electroretinography(ERG),and visual evoked potential(VEP)assessment.RESULTS:A total of 33 patients(23 males and 10 females;33 eyes)were enrolled in the short-term SO tamponade group with mean age of 52.45±9.35y,and 25 patients(15 males and 10 females;25 eyes)were enrolled in the conventional SO tamponade group with mean age of 50.80±12.06y.Compared with the conventional group,the short-term silicone oil tamponade group had a significantly lower incidence of silicone oil emulsification and cataract progression,with no significant difference in retinal reattachment success rate.Structurally,short-term tamponade was associated with increased thickness of the retinal ganglion cell layer(RGCL)in the nasal and superior macular regions and improved recovery of superficial retinal vascular density in these areas.Functionally,the shortterm group showed better BCVA and retinal sensitivity both before and 1mo after SOR;additionally,the P100 amplitude in VEP tests was significantly increased in this group.CONCLUSION:Shortening the duration of silicone oil tamponade effectively reduces damage to retinal structure and function without compromising the success rate of retinal reattachment in patients with primary RRD.展开更多
Tree plantations are globally significant,and therefore,growth-related challenges cannot be ignored.Canopy structure and light environment influence the growth of plantations,but the precise relationship remains uncle...Tree plantations are globally significant,and therefore,growth-related challenges cannot be ignored.Canopy structure and light environment influence the growth of plantations,but the precise relationship remains unclear.We selected seven-year-old poplar plantations of varying cultivars planted various densities and measured their growth,canopy structure,and light environment.The findings indicate that poplar plantations of different cultivars and at different planting densities showed variations in leaf area index(LAI),average leaf angle(ALA),crown length(CL),length ratio(CLR),roundness(CR)and surface area(CSA),which directly or indirectly affect growth,resulting in disparities in their growing conditions.Crown roundness directly impacted growth,while LAI,CLR and ALA influenced growth indirectly by affecting intercellular carbon dioxide concentration.LAI and CLR had a positive effect;ALA had a negative one.Crown length and surface area directly and indirectly influenced growth by affecting photo synthetically active radiation and net photo synthetic rate,with direct impacts being more pronounced.This research has clarified the regulatory role of canopy structure in plantations growth,providing valuable insights for developing more effective management strategies.展开更多
This study comprehensively uses various methods such as production dynamic analysis,fluid inclusion thermometry and carbon-oxygen isotopic compositions testing,based on outcrop,core,well-logging,3D seismic,geochemistr...This study comprehensively uses various methods such as production dynamic analysis,fluid inclusion thermometry and carbon-oxygen isotopic compositions testing,based on outcrop,core,well-logging,3D seismic,geochemistry experiment and production test data,to systematically explore the control mechanisms of structure and fluid on the scale,quality,effectiveness and connectivity of ultra-deep fault-controlled carbonate fractured-vuggy reservoirs in the Tarim Basin.The results show that reservoir scale is influenced by strike-slip fault scale,structural position,and mechanical stratigraphy.Larger faults tend to correspond to larger reservoir scales.The reservoir scale of contractional overlaps is larger than that of extensional overlaps,while pure strike-slip segments are small.The reservoir scale is enhanced at fault intersection,bend,and tip segments.Vertically,the heterogeneity of reservoir development is controlled by mechanical stratigraphy,with strata of higher brittleness indices being more conducive to the development of fractured-vuggy reservoirs.Multiple phases of strike-slip fault activity and fluid alterations contribute to fractured-vuggy reservoir effectiveness evolution and heterogeneity.Meteoric water activity during the Late Caledonian to Early Hercynian period was the primary phase of fractured-vuggy reservoir formation.Hydrothermal activity in the Late Hercynian period further intensified the heterogeneity of effective reservoir space distribution.The study also reveals that fractured-vuggy reservoir connectivity is influenced by strike-slip fault structural position and present in-situ stress field.The reservoir connectivity of extensional overlaps is larger than that of pure strike-slip segments,while contractional overlaps show worse reservoir connectivity.Additionally,fractured-vuggy reservoirs controlled by strike-slip faults that are nearly parallel to the present in-situ stress direction exhibit excellent connectivity.Overall,high-quality reservoirs are distributed at the fault intersection of extensional overlaps,the central zones of contractional overlaps,pinnate fault zones at intersection,bend,and tip segments of pure strike-slip segments.Vertically,they are concentrated in mechanical stratigraphy with high brittleness indices.展开更多
La-Mg-Ni-based hydrogen storage alloys with superlattice structures are the new generation anode material for nickel metal hydride(Ni-MH)batteries owing to the advantages of high capacity and exceptional activation pr...La-Mg-Ni-based hydrogen storage alloys with superlattice structures are the new generation anode material for nickel metal hydride(Ni-MH)batteries owing to the advantages of high capacity and exceptional activation properties.However,the cycling stability is not currently satisfactory enough which plagues its application.Herein,a strategy of partially substituting La with the Y element is proposed to boost the capacity durability of La-Mg-Ni-based alloys.Furthermore,phase structure regulation is implemented simultaneously to obtain the A5 B19-type alloy with good crystal stability specifically.It is found that Y promotes the phase formation of the Pr5 Co19-type phase after annealing at 985℃.The alloy containing Y contributes to the superior rate capability resulting from the promoted hydrogen diffusion rate.Notably,Y substitution enables strengthening the anti-pulverization ability of the alloy in terms of increasing the volume match between[A_(2)B_(4)]and[AB5]subunits,and effectively enhances the anti-corrosion ability of the alloy due to high electronegativity,realizing improved long-term cycling stability of the alloy from 74.2%to 78.5%after cycling 300 times.The work is expected to shed light on the composition and structure design of the La-Mg-Ni-based hydrogen storage alloy for Ni-MH batteries.展开更多
Based on the experimental results of casting thin section,low temperature nitrogen adsorption,high pressure mercury injection,nuclear magnetic resonance T2 spectrum,contact angle and oil-water interfacial tension,the ...Based on the experimental results of casting thin section,low temperature nitrogen adsorption,high pressure mercury injection,nuclear magnetic resonance T2 spectrum,contact angle and oil-water interfacial tension,the relationship between pore throat structure and crude oil mobility characteristics of full particle sequence reservoirs in the Lower Permian Fengcheng Formation of Mahu Sag,Junggar Basin,are revealed.(1)With the decrease of reservoir particle size,the volume of pores connected by large throats and the volume of large pores show a decreasing trend,and the distribution and peak ranges of throat and pore radius shift to smaller size in an orderly manner.The upper limits of throat radius,porosity and permeability of unconventional reservoirs in Fengcheng Formation are approximately 0.7μm,8%and 0.1×10^(−3)μm^(2),respectively.(2)As the reservoir particle size decreases,the distribution and peak ranges of pores hosting retained oil and movable oil are shifted to a smaller size in an orderly manner.With the increase of driving pressure,the amount of retained and movable oil of the larger particle reservoir samples shows a more obvious trend of decreasing and increasing,respectively.(3)With the increase of throat radius,the driving pressure of reservoir with different particle levels presents three stages,namely rapid decrease,slow decrease and stabilization.The oil driving pressures of various reservoirs and the differences of them decrease with the increase of temperature and obviously decrease with the increase of throat radius.According to the above experimental analysis,it is concluded that the deep shale oil of Fengcheng Formation in Mahu Sag has great potential for production under geological conditions.展开更多
A comprehensive analysis of the microstructure and defects of a thixomolded AZ91D alloy was conducted to elucidate their influences on mechanical properties.Samples were made at injection temperatures ranging from 580...A comprehensive analysis of the microstructure and defects of a thixomolded AZ91D alloy was conducted to elucidate their influences on mechanical properties.Samples were made at injection temperatures ranging from 580 to 640℃.X-ray computed tomography was used to visualize pores,and crystal plasticity finite element simulation was adopted for deformation analysis.The microstructure characterizations reveal a hierarchical cell feature composed of α-Mg and eutectic phases.With the increase of injection temperature,large cell content in the material decreases,while the strength of the alloy increases.The underlying mechanism about strength change is that coarse-grained solids experience smaller stress even in hard orientations.The sample fabricated at a moderate temperature of 620℃ exhibits the highest elongation,least quantity and lower local concentration of pores.The detachment and tearing cracks formed at lower injection temperature and defect bands formed at higher injection temperature add additional crack sources and deteriorate the ductility of the materials.展开更多
The tight sandstone reservoirs in the first sub-member of Chang 7 member(Chang 71)of Triassic Yanchang Formation in the Jiyuan area,Ordos Basin,show significant variations in microscopic pore-throat structure(PTS)and ...The tight sandstone reservoirs in the first sub-member of Chang 7 member(Chang 71)of Triassic Yanchang Formation in the Jiyuan area,Ordos Basin,show significant variations in microscopic pore-throat structure(PTS)and fluid mobility due to the influences of the northeast and northwest dual provenance systems.This study performed multiple experimental analyses on nine samples from the area to determine the petrological and petrophysical properties,as well as the PTS characteristics of reservoirs in different provenance-controlled regions.On this basis,the pore-throat size distribution(PSD)obtained from high-pressure mercury injection(HPMI)was utilized to convert the NMR movable fluid T2spectrum,allowing for quantitative characterization of the full PSD and the occurrence characteristics of movable fluids.A systematic analysis was conducted on the primary controlling factors affecting fluid mobility in the reservoir.The results indicated that the lithology in the eastern and western regions is lithic arkose.The eastern sandstones,being farther from the provenance,exhibit higher contents of feldspar and lithic fragments,along with the development of more dissolution pores.The reservoir possesses good petrophysical properties,low displacement pressure,and high pore-throat connectivity and homogeneity,indicating strong fluid mobility.In contrast,the western sandstones,being nearer to the provenance,exhibit poor grain sorting,high contents of lithic fragments,strong compaction and cementation effects,resulting in poor petrophysical properties,and strong pore-throat heterogeneity,revealing weak fluid mobility.The range of full PSD in the eastern reservoir is wider than that in the western reservoir,with relatively well-developed macropores.The macropores are the primary space for occurrence of movable fluids,and controls the fluid mobility of the reservoir.The effective porosity of movable fluids(EPMF)quantitatively represents the pore space occupied by movable fluids within the reservoir and correlates well with porosity,permeability,and PTS parameters,making it a valuable parameter for evaluating fluid mobility.Under the multi-provenance system,the eastern and western reservoirs underwent different sedimentation and diagenesis processes,resulting in differential distribution of reservoir mineral components and pore types,which in turn affects the PTS heterogeneity and reservoir quality.The composition and content of reservoir minerals are intrinsic factors influencing fluid mobility,while the microscopic PTS is the primary factor controlling it.Low clay mineral content,welldeveloped macropores,and weak pore-throat heterogeneity all contribute to the storage and seepage of reservoir fluids.展开更多
Purpose–This paper aims to provide a comprehensive analysis of the strategic adjustments in China’s transportation structure,with a particular focus on the pivotal role of railway freight and its integration into th...Purpose–This paper aims to provide a comprehensive analysis of the strategic adjustments in China’s transportation structure,with a particular focus on the pivotal role of railway freight and its integration into the modern logistics system.It seeks to address the need for a more nuanced understanding of the“road to rail”policy,emphasizing the importance of intermodal collaboration and service of fragmented market demands.Design/methodology/approach–The study employs a transport economics perspective to evaluate the achievements and shortcomings of China’s transportation structure optimization.It bases its assessment of the current state of railway freight logistics,multi-modal transportation and the broader implications for the transportation service market on data analysis.The methodology includes a review of existing policies,an examination of industry practices and a comparative analysis with global trends in railway logistics.Findings–The research underscores the importance of focusing on the development of non-bulk materials,noting the insufficiency in the development of China’s rail multi-modal transportation and highlighting the instructive value of successful cases in open-top container road-rail intermodal transportation.The study posits that the railway sector must enhance cooperation with other market entities,aligning with the lead enterprises in the logistics chain that are characterized by speed,high value and strong coordination capabilities,in order to better serve the transportation market.This approach moves away from a reliance on the railway’s own capabilities alone.Originality/value–This paper offers original insights into the transformation of railway freight in China,contributing to the body of knowledge on transportation economics and logistics.It provides valuable recommendations for policymakers and industry practitioners,emphasizing the strategic importance of railway logistics in the context of China’s economic development and intense competition in the supply chain.The value of the article lies in its comprehensive understanding of the complexities involved in the adjustment of transportation structures,providing direction for the market-oriented reform of China’s railway freight sector.展开更多
The Pamir Plateau,at the northwestern margin of the Tibetan Plateau,is a key region for investigating continental collision and plateau uplifting.To probe its deep structure,we collected seismic data from 263 stations...The Pamir Plateau,at the northwestern margin of the Tibetan Plateau,is a key region for investigating continental collision and plateau uplifting.To probe its deep structure,we collected seismic data from 263 stations across 11 research projects.We applied cross-correlation to noise data and extracted surface wave dispersion data from cross-correlation functions.The extracted dispersion data were subsequently inverted using a 3-D transdimensional Bayesian inversion method(rj-3 DMcMC).The inversion result reveals several crustal low-velocity zones(LVZs).Their formation is likely related to crustal thickening,the exposure of gneiss domes,and thicker sedimentary sequences compared to surrounding areas.In the lower crust and upper mantle,the LVZs in southern Pamir and southeastern Karakoram evolve into high-velocity zones,which expand northeastward with increasing depth.This suggests northward underthrusting of the Indian Plate.We also analyzed the Moho using both the standard deviation of S-wave velocity and the S-wave velocity structure.Results show that significant variations in velocity standard deviation reliably delineate the Moho interface.展开更多
At 20:08,on September 18,2024,an M4.7 earthquake occurred along the Tanlu fault zone in the Feidong County of Hefei,Anhui Province.This earthquake is the largest event in the modern history of Hefei,which caused subst...At 20:08,on September 18,2024,an M4.7 earthquake occurred along the Tanlu fault zone in the Feidong County of Hefei,Anhui Province.This earthquake is the largest event in the modern history of Hefei,which caused substantial social impact.To reveal the seismogenic structure of the M4.7 Feidong earthquake sequence and assess seismic risks,we use data from both the permanent seismic network and a temporary dense nodal array deployed in the epicentral region prior to the mainshock for:(1)accurate location of the earthquake sequence and determination of the focal mechanisms;(2)obtaining the spatiotemporal distribution,b-value,and half-day occurrence frequency of the earthquake sequence.The Sentinel-1 satellite data are used to analyze the coseismic displacement.Additionally,velocity models from regional tomography and local high-resolution 2D active-and passive-source surveys across the Tanlu fault zone in the epicentral area are also used to reveal the detailed geometry of the seismogenic fault.The results indicate:(1)the M4.7 Feidong earthquake sequence is concentrated around 10.5 km in depth along a NW-dipping,subvertical fault which trends NE and is approximately 5 km in length;the focal mechanism solution also reveals that the fault hosting the mainshock is a subvertical strike-slip fault,driven by the regional compressional stress in ENE-WSW;the coseismic horizontal displacement on the surface caused by the M4.7 mainshock has a maximum value close to 1 mm;(2)the regional velocity model shows significant lateral variation in v_(S) in the source region,with the mainshock occurring in the area with higher velocity;high-resolution P-wave velocity structures obtained by full waveform inversion from active sources,and S-wave velocity structures from passive-source ambient noise tomography indicate that the mainshock occurred along the boundary between high-and low-velocity bodies,and the seismogenic fault dips NW;the deep seismic reflection profiling shows that the mainshock occurred within the Jurassic strata;(3)based on these results,we suggest the seismogenic fault for the M4.7 Feidong earthquake is either the Zhuding-Shimenshan fault,one of the major faults in the Tanlu fault zone,or a hidden fault to the east;the intersection of the NE-trending Tanlu fault zone and the WNW-trending Feizhong fault,along with significant velocity variations,likely create local stress concentrations which could have triggered the M4.7 Feidong earthquake sequence;(4)the strong aftershocks following the M4.7 Feidong mainshock did not further extend the fault rupture zone;the active period of the Zhuding-Shimenshan fault was the late Early Pleistocene to Middle Pleistocene,and the imaging results indicate that this fault does not cut through the shallow Feidong depression.In conjunction with the small coseismic rupture area,it is inferred that the probability of surface-rupturing earthquakes in the future is relatively low.展开更多
The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La a...The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.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
Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene...Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene]-2-hydroxyacetohydrazide,H_(2)L_(2)=(E)-N'-(5-bromo-2-hydroxy-3-methoxybenzylidene)nicotinohydrazide,Hdbm=dibenzoylmethane,have been constructed by adopting the solvothermal method.Structural characterization unveils that both complexes 1 and 2 are constituted by two Gd^(3+)ions,two dbm-ions,two CH_(3)OH molecules,and two polydentate Schiff-base ligands(HL_(1)^(2-)or L_(2)^(2-)).In addition,complex 1 contains four free methanol molecules,whereas complex 2 harbors two free methanol molecules.By investigating the interactions between complexes 1 and 2 and four types of bacteria(Bacillus subtilis,Escherichia coli,Staphylococcus aureus,Candida albicans),it was found that both complexes 1 and 2 exhibited potent antibacte-rial activities.The interaction mechanisms between the ligands H_(3)L_(1),H_(2)L_(2),complexes 1 and 2,and calf thymus DNA(CT-DNA)were studied using ultraviolet-visible spectroscopy,fluorescence titration,and cyclic voltammetry.The results demonstrated that both complexes 1 and 2 can intercalate into CT-DNA molecules,thereby inhibiting bacterial proliferation to achieve the antibacterial effects.CCDC:2401116,1;2401117,2.展开更多
This data set collects,compares and contrasts the capacities and structures of a series of hard carbon materials,and then searches for correlations between structure and electrochemical performance.The capacity data o...This data set collects,compares and contrasts the capacities and structures of a series of hard carbon materials,and then searches for correlations between structure and electrochemical performance.The capacity data of the hard carbons were obtained by charge/discharge tests and the materials were characterized by XRD,gas adsorption,true density tests and SAXS.In particular,the fitting of SAXS gave a series of structural parameters which showed good characterization.The related test details are given with the structural data of the hard carbons and the electrochemical performance of the sodium-ion batteries.展开更多
Two new Mn(Ⅱ)coordination polymers,namely{[Mn_(2)(HL)(phen)_(3)(H_(2)O)_(2)]·7.5H_(2)O}_n(1)and[Mn_(4)(HL)_(2)(1,4-bib)_(3)(H_(2)O)_(2)]_n(2),were synthesized under hydrothermal conditions by using Mn(Ⅱ)ions an...Two new Mn(Ⅱ)coordination polymers,namely{[Mn_(2)(HL)(phen)_(3)(H_(2)O)_(2)]·7.5H_(2)O}_n(1)and[Mn_(4)(HL)_(2)(1,4-bib)_(3)(H_(2)O)_(2)]_n(2),were synthesized under hydrothermal conditions by using Mn(Ⅱ)ions and 6-(3',4'-dicarboxylphenoxy)-1,2,4-benzenetricarboxylic acid(H_(5)L)in the presence of N-auxiliary ligands 1,10-phenanthroline(phen)and1,4-bis(1H-imidazol-1-yl)benzene(1,4-bib).The structures of coordination polymers 1 and 2 were characterized by infrared spectroscopy,single-crystal X-ray diffraction,thermogravimetric analysis,and powder X-ray diffraction.Single-crystal X-ray diffraction reveals that 1 has a 1D chain structure based on binuclear Mn(Ⅱ)units,while 2 features a(3,8)-connected 3D network structure based on tetranuclear Mn(Ⅱ)units.Magnetic studies show that 1 and 2exhibit antiferromagnetic interactions between manganese ions.2 shows stronger antiferromagnetic interactions due to the shorter Mn…Mn distances within the tetranuclear manganese units.CCDC:2357601,1;2357602,2.展开更多
The development of high-performance structural and functional materials is vital in many industrial fields.High-and medium-entropy alloys(H/MEAs)with superior comprehensive properties owing to their specific microstru...The development of high-performance structural and functional materials is vital in many industrial fields.High-and medium-entropy alloys(H/MEAs)with superior comprehensive properties owing to their specific microstructures are promising candidates for structural materials.More importantly,multitudinous efforts have been made to regulate the microstructures and the properties of H/MEAs to further expand their industrial applications.The various heterostructures have enormous potential for the development of H/MEAs with outstanding performance.Herein,multiple heterogeneous structures with single and hierarchical heterogeneities were discussed in detail.Moreover,preparation methods for compositional inhomogeneity,bimodal structures,dualphase structures,lamella/layered structures,harmonic structures(core-shell),multiscale precipitates and heterostructures coupled with specific microstructures in H/MEAs were also systematically reviewed.The deformation mechanisms induced by the different heterostructures were thoroughly discussed to explore the relationship between the heterostructures and the optimized properties of H/MEAs.The contributions of the heterostructures and advanced microstructures to the H/MEAs were comprehensively elucidated to further improve the properties of the alloys.Finally,this review discussed the future challenges of high-performance H/MEAs for industrial applications and provides feasible methods for optimizing heterostructures to enhance the comprehensive properties of H/MEAs.展开更多
[Objective] The study was to analyze the structure and function of HpaGXoo and the relationship between the two.[Method] Some related bioinformatics analysis software on internet such as NPSA,Swiss-Model,SAPS and Inte...[Objective] The study was to analyze the structure and function of HpaGXoo and the relationship between the two.[Method] Some related bioinformatics analysis software on internet such as NPSA,Swiss-Model,SAPS and InterPro Scan were adopted to analyze the structure and predict its function.[Result] HpaGXoo consists of 139 amino acids,and has many alpha-helical and coiled structure,no signal peptide on N-terminal and no transmembrane structure.It locates in bacterial cytoplasm.[Conclusion] The study will lay ...展开更多
Atomically precise palladium(Pd)clusters are emerging as versatile nanomaterials with applications in catalysis and biomedicine.This study explores the synthesis,structure evolution,and catalytic properties of Pd clus...Atomically precise palladium(Pd)clusters are emerging as versatile nanomaterials with applications in catalysis and biomedicine.This study explores the synthesis,structure evolution,and catalytic properties of Pd clusters stabilized by cyclohexanethiol(HSC_(6)H_(11))ligands.Using electrospray ionization mass spectrometry(ESI-MS)and single-crystal X-ray diffraction(SXRD),structures of the Pd clusters ranging from Pd4(SC_(6)H_(11))8 to Pd18(SC_(6)H_(11))36 were determined.This analysis revealed a structure evolution from polygonal to elliptical geometries of the PdnS2n frameworks as the cluster size increased.UV-Vis-NIR spectroscopy,combined with quantum chemical calculations,elucidated changes in the electronic structure of the clusters.Catalytic studies on the Sonogashira cross-coupling reactions demonstrated a size-dependent decline in activity attributed to variations in structural arrangements and electronic properties.Mechanistic insights proposed a distinctive Pd(Ⅱ)-Pd(Ⅳ)catalytic cycle.This research underscores how ligands and cluster size influence the structures and properties of Pd clusters,offering valuable insights for the future design and application of Pd clusters in advanced catalysis and beyond.展开更多
Controlled by the squeezing collision between the Yangtze block and the North China block and the left movement of the Tanlu fault, the Xu-Su region developed into an arc-shaped nappe structure, and many destructive e...Controlled by the squeezing collision between the Yangtze block and the North China block and the left movement of the Tanlu fault, the Xu-Su region developed into an arc-shaped nappe structure, and many destructive earthquakes occurred in its periphery. The geological structure of this area is complex, and there is the possibility of moderate and strong earthquakes. To further explore the crust density structure and identify the main faults and deep structural features in the Xu-Su region, based on the observed seismic data and gravity/GNSS co-site observation data, combined with the EGM2008 global gravity field model, we obtained the density of three-dimensional structure using cross gradient method joint inversion. Based on this, a geological model of the Xu-Su region was established. The results show that the crustal density anomaly amplitude within 0-25 km of the Xu-Su region ranges from-280 to 490 kg/m3, showing a zonal distribution in east-west direction and a segmented north-south direction. There are several density anomalies in the shallow(0-4 km) region at Tongshan, Huaibei, Xiayi, Woyang, etc. The density anomalies are significantly correlated with the distribution of regional faults. The density structure is divided into two large regions by Subei fault, which can be further divided along the eastwest Kouziji-Nanzhao fault and Guzhen-Huaiyuan fault. The earthquakes are obviously related to the regional fault activity and the spatial distribution of abnormal bodies. The earthquake-prone areas(5-15 km) correspond to the abnormal density mutation zone, upper uplift zone, and transformation zone near Xiaoxian, Tongshan, and Xushuanglou faults. The comprehensive results show three weak seismic activity areas in the whole region, which are located near the Huaibei, Xiaoxian, and Wohe faults. The results provide theoretical support for seismic risk analysis in this area, and these three areas should be emphasized in future seismic hazard analysis.展开更多
基金supported by the National Key Research and Development Program of China(2024YFA1612900)the National Natural Science Foundation of China(Grant No.52103365 and No.12375270)the Guangdong Innovative and Entrepreneurial Research Team Program,China(Grant No.2021ZT09L227).
文摘Fine-grained nuclear graphite is a key material in high-temperature gas-cooled reactors(HTGRs).During air ingress accidents,core graphite components undergo severe oxidation,threatening structural integrity.Therefore,understanding the oxidation behavior of nuclear graphite is essential for reactor safety.The influence of oxidation involves multiple factors,including temperature,sample size,oxidant,impurities,filler type and size,etc.The size of the filler particles plays a crucial role in this study.Five ultrafine-and superfine-grained nuclear graphite samples(5.9-34.4μm)are manufactured using identical raw materials and manufacturing processes.Isothermal oxidation tests conducted at 650℃-750℃ are used to study the oxidation behavior.Additionally,comprehensive characterization is performed to analyze the crystal structure,surface morphology,and nanoscale to microscale pore structure of the samples.Results indicate that oxidation behavior cannot be predicted solely based on filler grain size.Reactive site concentration,characterized by active surface area,dominates the chemical reaction kinetics,whereas pore tortuosity,quantified by the structural parameterΨ,plays a key role in regulating oxidant diffusion.These findings clarify the dual role of microstructure in oxidation mechanisms and establish a theoretical and experimental basis for the design of high-performance nuclear graphite capable of long-term service in high-temperature gas-cooled reactors.
基金Supported by the Key Science&Technology Project of Guangzhou(No.202103000045)the National Natural Science Foundation of China(No.82070972,No.82271093).
文摘AIM:To investigate the effects of shortening the duration of silicone oil tamponade on retinal structure and function in patients undergoing silicone oil removal(SOR)after surgery for primary rhegmatogenous retinal detachment(RRD).METHODS:A total of 58 eligible patients were enrolled and randomly assigned to two groups based on tamponade duration:the short-term group(30-45d)and the conventional group(≥90d).Comprehensive evaluations were performed before and after SOR,including slitlamp examination,best-corrected visual acuity(BCVA)measurement,intraocular pressure(IOP)testing,optical coherence tomography(OCT),optical coherence tomography angiography(OCTA),microperimetry,electroretinography(ERG),and visual evoked potential(VEP)assessment.RESULTS:A total of 33 patients(23 males and 10 females;33 eyes)were enrolled in the short-term SO tamponade group with mean age of 52.45±9.35y,and 25 patients(15 males and 10 females;25 eyes)were enrolled in the conventional SO tamponade group with mean age of 50.80±12.06y.Compared with the conventional group,the short-term silicone oil tamponade group had a significantly lower incidence of silicone oil emulsification and cataract progression,with no significant difference in retinal reattachment success rate.Structurally,short-term tamponade was associated with increased thickness of the retinal ganglion cell layer(RGCL)in the nasal and superior macular regions and improved recovery of superficial retinal vascular density in these areas.Functionally,the shortterm group showed better BCVA and retinal sensitivity both before and 1mo after SOR;additionally,the P100 amplitude in VEP tests was significantly increased in this group.CONCLUSION:Shortening the duration of silicone oil tamponade effectively reduces damage to retinal structure and function without compromising the success rate of retinal reattachment in patients with primary RRD.
基金supported by the National Key Research and Development Program of China(Grant No.2021YFD2201203)the financial support of the National Natural Science Foundation of China(32001311)。
文摘Tree plantations are globally significant,and therefore,growth-related challenges cannot be ignored.Canopy structure and light environment influence the growth of plantations,but the precise relationship remains unclear.We selected seven-year-old poplar plantations of varying cultivars planted various densities and measured their growth,canopy structure,and light environment.The findings indicate that poplar plantations of different cultivars and at different planting densities showed variations in leaf area index(LAI),average leaf angle(ALA),crown length(CL),length ratio(CLR),roundness(CR)and surface area(CSA),which directly or indirectly affect growth,resulting in disparities in their growing conditions.Crown roundness directly impacted growth,while LAI,CLR and ALA influenced growth indirectly by affecting intercellular carbon dioxide concentration.LAI and CLR had a positive effect;ALA had a negative one.Crown length and surface area directly and indirectly influenced growth by affecting photo synthetically active radiation and net photo synthetic rate,with direct impacts being more pronounced.This research has clarified the regulatory role of canopy structure in plantations growth,providing valuable insights for developing more effective management strategies.
基金Supported by the National Natural Science Foundation of China(U21B2062).
文摘This study comprehensively uses various methods such as production dynamic analysis,fluid inclusion thermometry and carbon-oxygen isotopic compositions testing,based on outcrop,core,well-logging,3D seismic,geochemistry experiment and production test data,to systematically explore the control mechanisms of structure and fluid on the scale,quality,effectiveness and connectivity of ultra-deep fault-controlled carbonate fractured-vuggy reservoirs in the Tarim Basin.The results show that reservoir scale is influenced by strike-slip fault scale,structural position,and mechanical stratigraphy.Larger faults tend to correspond to larger reservoir scales.The reservoir scale of contractional overlaps is larger than that of extensional overlaps,while pure strike-slip segments are small.The reservoir scale is enhanced at fault intersection,bend,and tip segments.Vertically,the heterogeneity of reservoir development is controlled by mechanical stratigraphy,with strata of higher brittleness indices being more conducive to the development of fractured-vuggy reservoirs.Multiple phases of strike-slip fault activity and fluid alterations contribute to fractured-vuggy reservoir effectiveness evolution and heterogeneity.Meteoric water activity during the Late Caledonian to Early Hercynian period was the primary phase of fractured-vuggy reservoir formation.Hydrothermal activity in the Late Hercynian period further intensified the heterogeneity of effective reservoir space distribution.The study also reveals that fractured-vuggy reservoir connectivity is influenced by strike-slip fault structural position and present in-situ stress field.The reservoir connectivity of extensional overlaps is larger than that of pure strike-slip segments,while contractional overlaps show worse reservoir connectivity.Additionally,fractured-vuggy reservoirs controlled by strike-slip faults that are nearly parallel to the present in-situ stress direction exhibit excellent connectivity.Overall,high-quality reservoirs are distributed at the fault intersection of extensional overlaps,the central zones of contractional overlaps,pinnate fault zones at intersection,bend,and tip segments of pure strike-slip segments.Vertically,they are concentrated in mechanical stratigraphy with high brittleness indices.
基金the financial support by the National Nat-ural Science Foundation of China(Nos.52201282,52071281,52371239)the China Postdoctoral Science Foundation(No.2023M742945)+4 种基金Hebei Provincial Postdoctoral Science Foundation(No.B2023003023)the Science Research Project of Hebei Education Department(No.BJK2022033)the Natural Science Foundation of Hebei Province(No.C2022203003)the Inner Mongolia Science and Technology Major Project(No.2020ZD0012)the Baotou Science and Technology Planning Project(No.XM2022BT09).
文摘La-Mg-Ni-based hydrogen storage alloys with superlattice structures are the new generation anode material for nickel metal hydride(Ni-MH)batteries owing to the advantages of high capacity and exceptional activation properties.However,the cycling stability is not currently satisfactory enough which plagues its application.Herein,a strategy of partially substituting La with the Y element is proposed to boost the capacity durability of La-Mg-Ni-based alloys.Furthermore,phase structure regulation is implemented simultaneously to obtain the A5 B19-type alloy with good crystal stability specifically.It is found that Y promotes the phase formation of the Pr5 Co19-type phase after annealing at 985℃.The alloy containing Y contributes to the superior rate capability resulting from the promoted hydrogen diffusion rate.Notably,Y substitution enables strengthening the anti-pulverization ability of the alloy in terms of increasing the volume match between[A_(2)B_(4)]and[AB5]subunits,and effectively enhances the anti-corrosion ability of the alloy due to high electronegativity,realizing improved long-term cycling stability of the alloy from 74.2%to 78.5%after cycling 300 times.The work is expected to shed light on the composition and structure design of the La-Mg-Ni-based hydrogen storage alloy for Ni-MH batteries.
基金Supported by Leading Talent Program of Autonomous Region(2022TSYCLJ0070)PetroChina Prospective and Basic Technological Project(2021DJ0108)Natural Science Foundation for Outstanding Young People in Shandong Province(ZR2022YQ30).
文摘Based on the experimental results of casting thin section,low temperature nitrogen adsorption,high pressure mercury injection,nuclear magnetic resonance T2 spectrum,contact angle and oil-water interfacial tension,the relationship between pore throat structure and crude oil mobility characteristics of full particle sequence reservoirs in the Lower Permian Fengcheng Formation of Mahu Sag,Junggar Basin,are revealed.(1)With the decrease of reservoir particle size,the volume of pores connected by large throats and the volume of large pores show a decreasing trend,and the distribution and peak ranges of throat and pore radius shift to smaller size in an orderly manner.The upper limits of throat radius,porosity and permeability of unconventional reservoirs in Fengcheng Formation are approximately 0.7μm,8%and 0.1×10^(−3)μm^(2),respectively.(2)As the reservoir particle size decreases,the distribution and peak ranges of pores hosting retained oil and movable oil are shifted to a smaller size in an orderly manner.With the increase of driving pressure,the amount of retained and movable oil of the larger particle reservoir samples shows a more obvious trend of decreasing and increasing,respectively.(3)With the increase of throat radius,the driving pressure of reservoir with different particle levels presents three stages,namely rapid decrease,slow decrease and stabilization.The oil driving pressures of various reservoirs and the differences of them decrease with the increase of temperature and obviously decrease with the increase of throat radius.According to the above experimental analysis,it is concluded that the deep shale oil of Fengcheng Formation in Mahu Sag has great potential for production under geological conditions.
基金supported by the National Natural Science Foundation of China(Nos.51825101,52001202)the National Key Research and Development Program of China(No.2021YFA1600900)。
文摘A comprehensive analysis of the microstructure and defects of a thixomolded AZ91D alloy was conducted to elucidate their influences on mechanical properties.Samples were made at injection temperatures ranging from 580 to 640℃.X-ray computed tomography was used to visualize pores,and crystal plasticity finite element simulation was adopted for deformation analysis.The microstructure characterizations reveal a hierarchical cell feature composed of α-Mg and eutectic phases.With the increase of injection temperature,large cell content in the material decreases,while the strength of the alloy increases.The underlying mechanism about strength change is that coarse-grained solids experience smaller stress even in hard orientations.The sample fabricated at a moderate temperature of 620℃ exhibits the highest elongation,least quantity and lower local concentration of pores.The detachment and tearing cracks formed at lower injection temperature and defect bands formed at higher injection temperature add additional crack sources and deteriorate the ductility of the materials.
文摘The tight sandstone reservoirs in the first sub-member of Chang 7 member(Chang 71)of Triassic Yanchang Formation in the Jiyuan area,Ordos Basin,show significant variations in microscopic pore-throat structure(PTS)and fluid mobility due to the influences of the northeast and northwest dual provenance systems.This study performed multiple experimental analyses on nine samples from the area to determine the petrological and petrophysical properties,as well as the PTS characteristics of reservoirs in different provenance-controlled regions.On this basis,the pore-throat size distribution(PSD)obtained from high-pressure mercury injection(HPMI)was utilized to convert the NMR movable fluid T2spectrum,allowing for quantitative characterization of the full PSD and the occurrence characteristics of movable fluids.A systematic analysis was conducted on the primary controlling factors affecting fluid mobility in the reservoir.The results indicated that the lithology in the eastern and western regions is lithic arkose.The eastern sandstones,being farther from the provenance,exhibit higher contents of feldspar and lithic fragments,along with the development of more dissolution pores.The reservoir possesses good petrophysical properties,low displacement pressure,and high pore-throat connectivity and homogeneity,indicating strong fluid mobility.In contrast,the western sandstones,being nearer to the provenance,exhibit poor grain sorting,high contents of lithic fragments,strong compaction and cementation effects,resulting in poor petrophysical properties,and strong pore-throat heterogeneity,revealing weak fluid mobility.The range of full PSD in the eastern reservoir is wider than that in the western reservoir,with relatively well-developed macropores.The macropores are the primary space for occurrence of movable fluids,and controls the fluid mobility of the reservoir.The effective porosity of movable fluids(EPMF)quantitatively represents the pore space occupied by movable fluids within the reservoir and correlates well with porosity,permeability,and PTS parameters,making it a valuable parameter for evaluating fluid mobility.Under the multi-provenance system,the eastern and western reservoirs underwent different sedimentation and diagenesis processes,resulting in differential distribution of reservoir mineral components and pore types,which in turn affects the PTS heterogeneity and reservoir quality.The composition and content of reservoir minerals are intrinsic factors influencing fluid mobility,while the microscopic PTS is the primary factor controlling it.Low clay mineral content,welldeveloped macropores,and weak pore-throat heterogeneity all contribute to the storage and seepage of reservoir fluids.
基金supported by the Yuxiu Innovation Project of NCUT(Grant No.2024NCUTYXCX211).
文摘Purpose–This paper aims to provide a comprehensive analysis of the strategic adjustments in China’s transportation structure,with a particular focus on the pivotal role of railway freight and its integration into the modern logistics system.It seeks to address the need for a more nuanced understanding of the“road to rail”policy,emphasizing the importance of intermodal collaboration and service of fragmented market demands.Design/methodology/approach–The study employs a transport economics perspective to evaluate the achievements and shortcomings of China’s transportation structure optimization.It bases its assessment of the current state of railway freight logistics,multi-modal transportation and the broader implications for the transportation service market on data analysis.The methodology includes a review of existing policies,an examination of industry practices and a comparative analysis with global trends in railway logistics.Findings–The research underscores the importance of focusing on the development of non-bulk materials,noting the insufficiency in the development of China’s rail multi-modal transportation and highlighting the instructive value of successful cases in open-top container road-rail intermodal transportation.The study posits that the railway sector must enhance cooperation with other market entities,aligning with the lead enterprises in the logistics chain that are characterized by speed,high value and strong coordination capabilities,in order to better serve the transportation market.This approach moves away from a reliance on the railway’s own capabilities alone.Originality/value–This paper offers original insights into the transformation of railway freight in China,contributing to the body of knowledge on transportation economics and logistics.It provides valuable recommendations for policymakers and industry practitioners,emphasizing the strategic importance of railway logistics in the context of China’s economic development and intense competition in the supply chain.The value of the article lies in its comprehensive understanding of the complexities involved in the adjustment of transportation structures,providing direction for the market-oriented reform of China’s railway freight sector.
基金supported by the National Natural Science Foundation of China(Grant No.42174126)the Alliance of International Science Organizations(ANSO)Project(Grant No.ANSO-CR-PP2022-04)+1 种基金the Deep Earth Probe and Mineral Resources Exploration National Science and Technology Major Project(Grant Nos.2024ZD1002206,2024ZD1002201)Key R&D Program of Xinjiang Uyghur Autonomous Region(Grant No.2024B03013-2)。
文摘The Pamir Plateau,at the northwestern margin of the Tibetan Plateau,is a key region for investigating continental collision and plateau uplifting.To probe its deep structure,we collected seismic data from 263 stations across 11 research projects.We applied cross-correlation to noise data and extracted surface wave dispersion data from cross-correlation functions.The extracted dispersion data were subsequently inverted using a 3-D transdimensional Bayesian inversion method(rj-3 DMcMC).The inversion result reveals several crustal low-velocity zones(LVZs).Their formation is likely related to crustal thickening,the exposure of gneiss domes,and thicker sedimentary sequences compared to surrounding areas.In the lower crust and upper mantle,the LVZs in southern Pamir and southeastern Karakoram evolve into high-velocity zones,which expand northeastward with increasing depth.This suggests northward underthrusting of the Indian Plate.We also analyzed the Moho using both the standard deviation of S-wave velocity and the S-wave velocity structure.Results show that significant variations in velocity standard deviation reliably delineate the Moho interface.
基金supported by the Anhui Province Science and Technology Breakthrough Plan Project(Key Project,No.202423l10050030)the National Natural Science Foundation of China(Fundamental Science Center Category B,No.4248830017)+4 种基金the Joint Funds of National Natural Science Foundation of China(No.U2139204)the National Natural Science Foundation of China Project(No.42104063)the Hefei Government Key Construction Project(No.2024BFFFD02048)the Earthquake Science and Technology Spark Program of the China Earthquake Administration(Nos.XH23020YA,XH24020B)the Anhui Mengcheng National Geophysical Observatory Joint Open Fund(No.MENGO-202307).
文摘At 20:08,on September 18,2024,an M4.7 earthquake occurred along the Tanlu fault zone in the Feidong County of Hefei,Anhui Province.This earthquake is the largest event in the modern history of Hefei,which caused substantial social impact.To reveal the seismogenic structure of the M4.7 Feidong earthquake sequence and assess seismic risks,we use data from both the permanent seismic network and a temporary dense nodal array deployed in the epicentral region prior to the mainshock for:(1)accurate location of the earthquake sequence and determination of the focal mechanisms;(2)obtaining the spatiotemporal distribution,b-value,and half-day occurrence frequency of the earthquake sequence.The Sentinel-1 satellite data are used to analyze the coseismic displacement.Additionally,velocity models from regional tomography and local high-resolution 2D active-and passive-source surveys across the Tanlu fault zone in the epicentral area are also used to reveal the detailed geometry of the seismogenic fault.The results indicate:(1)the M4.7 Feidong earthquake sequence is concentrated around 10.5 km in depth along a NW-dipping,subvertical fault which trends NE and is approximately 5 km in length;the focal mechanism solution also reveals that the fault hosting the mainshock is a subvertical strike-slip fault,driven by the regional compressional stress in ENE-WSW;the coseismic horizontal displacement on the surface caused by the M4.7 mainshock has a maximum value close to 1 mm;(2)the regional velocity model shows significant lateral variation in v_(S) in the source region,with the mainshock occurring in the area with higher velocity;high-resolution P-wave velocity structures obtained by full waveform inversion from active sources,and S-wave velocity structures from passive-source ambient noise tomography indicate that the mainshock occurred along the boundary between high-and low-velocity bodies,and the seismogenic fault dips NW;the deep seismic reflection profiling shows that the mainshock occurred within the Jurassic strata;(3)based on these results,we suggest the seismogenic fault for the M4.7 Feidong earthquake is either the Zhuding-Shimenshan fault,one of the major faults in the Tanlu fault zone,or a hidden fault to the east;the intersection of the NE-trending Tanlu fault zone and the WNW-trending Feizhong fault,along with significant velocity variations,likely create local stress concentrations which could have triggered the M4.7 Feidong earthquake sequence;(4)the strong aftershocks following the M4.7 Feidong mainshock did not further extend the fault rupture zone;the active period of the Zhuding-Shimenshan fault was the late Early Pleistocene to Middle Pleistocene,and the imaging results indicate that this fault does not cut through the shallow Feidong depression.In conjunction with the small coseismic rupture area,it is inferred that the probability of surface-rupturing earthquakes in the future is relatively low.
基金financially supported by the National Key R &D Program of China (No.2022YFB3709300)。
文摘The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.
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Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene]-2-hydroxyacetohydrazide,H_(2)L_(2)=(E)-N'-(5-bromo-2-hydroxy-3-methoxybenzylidene)nicotinohydrazide,Hdbm=dibenzoylmethane,have been constructed by adopting the solvothermal method.Structural characterization unveils that both complexes 1 and 2 are constituted by two Gd^(3+)ions,two dbm-ions,two CH_(3)OH molecules,and two polydentate Schiff-base ligands(HL_(1)^(2-)or L_(2)^(2-)).In addition,complex 1 contains four free methanol molecules,whereas complex 2 harbors two free methanol molecules.By investigating the interactions between complexes 1 and 2 and four types of bacteria(Bacillus subtilis,Escherichia coli,Staphylococcus aureus,Candida albicans),it was found that both complexes 1 and 2 exhibited potent antibacte-rial activities.The interaction mechanisms between the ligands H_(3)L_(1),H_(2)L_(2),complexes 1 and 2,and calf thymus DNA(CT-DNA)were studied using ultraviolet-visible spectroscopy,fluorescence titration,and cyclic voltammetry.The results demonstrated that both complexes 1 and 2 can intercalate into CT-DNA molecules,thereby inhibiting bacterial proliferation to achieve the antibacterial effects.CCDC:2401116,1;2401117,2.
基金supported by the National Natural Science Foundation of China(22379157)CAS Project for Young Scientists in Basic Research(YSBR-102)+2 种基金Institute of Coal Chemistry,Chinese Academy of Sciences(SCJC-XCL-2023-13,SCJCXCL-2023-10)Talent Projects for Outstanding Doctoral Students to Work in Shanxi Province(E3SWR4791Z)Fundamental Research Program of Shanxi Province(202403021222485).
文摘This data set collects,compares and contrasts the capacities and structures of a series of hard carbon materials,and then searches for correlations between structure and electrochemical performance.The capacity data of the hard carbons were obtained by charge/discharge tests and the materials were characterized by XRD,gas adsorption,true density tests and SAXS.In particular,the fitting of SAXS gave a series of structural parameters which showed good characterization.The related test details are given with the structural data of the hard carbons and the electrochemical performance of the sodium-ion batteries.
文摘Two new Mn(Ⅱ)coordination polymers,namely{[Mn_(2)(HL)(phen)_(3)(H_(2)O)_(2)]·7.5H_(2)O}_n(1)and[Mn_(4)(HL)_(2)(1,4-bib)_(3)(H_(2)O)_(2)]_n(2),were synthesized under hydrothermal conditions by using Mn(Ⅱ)ions and 6-(3',4'-dicarboxylphenoxy)-1,2,4-benzenetricarboxylic acid(H_(5)L)in the presence of N-auxiliary ligands 1,10-phenanthroline(phen)and1,4-bis(1H-imidazol-1-yl)benzene(1,4-bib).The structures of coordination polymers 1 and 2 were characterized by infrared spectroscopy,single-crystal X-ray diffraction,thermogravimetric analysis,and powder X-ray diffraction.Single-crystal X-ray diffraction reveals that 1 has a 1D chain structure based on binuclear Mn(Ⅱ)units,while 2 features a(3,8)-connected 3D network structure based on tetranuclear Mn(Ⅱ)units.Magnetic studies show that 1 and 2exhibit antiferromagnetic interactions between manganese ions.2 shows stronger antiferromagnetic interactions due to the shorter Mn…Mn distances within the tetranuclear manganese units.CCDC:2357601,1;2357602,2.
基金National Natural Science Foundation of China(52261032,51861021,51661016)Science and Technology Plan of Gansu Province(21YF5GA074)+2 种基金Public Welfare Project of Zhejiang Natural Science Foundation(LGG22E010008)Wenzhou Basic Public Welfare Scientific Research Project(G2023020)Incubation Program of Excellent Doctoral Dissertation-Lanzhou University of Technology。
文摘The development of high-performance structural and functional materials is vital in many industrial fields.High-and medium-entropy alloys(H/MEAs)with superior comprehensive properties owing to their specific microstructures are promising candidates for structural materials.More importantly,multitudinous efforts have been made to regulate the microstructures and the properties of H/MEAs to further expand their industrial applications.The various heterostructures have enormous potential for the development of H/MEAs with outstanding performance.Herein,multiple heterogeneous structures with single and hierarchical heterogeneities were discussed in detail.Moreover,preparation methods for compositional inhomogeneity,bimodal structures,dualphase structures,lamella/layered structures,harmonic structures(core-shell),multiscale precipitates and heterostructures coupled with specific microstructures in H/MEAs were also systematically reviewed.The deformation mechanisms induced by the different heterostructures were thoroughly discussed to explore the relationship between the heterostructures and the optimized properties of H/MEAs.The contributions of the heterostructures and advanced microstructures to the H/MEAs were comprehensively elucidated to further improve the properties of the alloys.Finally,this review discussed the future challenges of high-performance H/MEAs for industrial applications and provides feasible methods for optimizing heterostructures to enhance the comprehensive properties of H/MEAs.
基金Supported by Langfang Teachers College Research Grant(LSZB200803)~~
文摘[Objective] The study was to analyze the structure and function of HpaGXoo and the relationship between the two.[Method] Some related bioinformatics analysis software on internet such as NPSA,Swiss-Model,SAPS and InterPro Scan were adopted to analyze the structure and predict its function.[Result] HpaGXoo consists of 139 amino acids,and has many alpha-helical and coiled structure,no signal peptide on N-terminal and no transmembrane structure.It locates in bacterial cytoplasm.[Conclusion] The study will lay ...
基金supported by the Start-Up Research Funding of Fujian Normal University(No.Y0720326K13)the National Natural Science Foundation of China(Nos.22103035 and 22033005)+2 种基金the National Key R&D Program of China(No.2022YFA1503900)Shenzhen Science and Technology Program(No.RCYX20231211090357078)Guangdong Provincial Key Laboratory of Catalysis(No.2020B121201002).
文摘Atomically precise palladium(Pd)clusters are emerging as versatile nanomaterials with applications in catalysis and biomedicine.This study explores the synthesis,structure evolution,and catalytic properties of Pd clusters stabilized by cyclohexanethiol(HSC_(6)H_(11))ligands.Using electrospray ionization mass spectrometry(ESI-MS)and single-crystal X-ray diffraction(SXRD),structures of the Pd clusters ranging from Pd4(SC_(6)H_(11))8 to Pd18(SC_(6)H_(11))36 were determined.This analysis revealed a structure evolution from polygonal to elliptical geometries of the PdnS2n frameworks as the cluster size increased.UV-Vis-NIR spectroscopy,combined with quantum chemical calculations,elucidated changes in the electronic structure of the clusters.Catalytic studies on the Sonogashira cross-coupling reactions demonstrated a size-dependent decline in activity attributed to variations in structural arrangements and electronic properties.Mechanistic insights proposed a distinctive Pd(Ⅱ)-Pd(Ⅳ)catalytic cycle.This research underscores how ligands and cluster size influence the structures and properties of Pd clusters,offering valuable insights for the future design and application of Pd clusters in advanced catalysis and beyond.
基金funded by the National Natural Science Foundation of China(No.42174104,No.42204089)the Hubei Provincial Natural Science Foundation of China(2022CFB350)+1 种基金the Basic Research Fund of Institute of Seismology,China Earthquake Administration(IS202326341)Open Fund ofWuhan,Gravitation and Solid Earth Tides,National Observation and Research Station(WHYWZ202108,WHYWZ202301)。
文摘Controlled by the squeezing collision between the Yangtze block and the North China block and the left movement of the Tanlu fault, the Xu-Su region developed into an arc-shaped nappe structure, and many destructive earthquakes occurred in its periphery. The geological structure of this area is complex, and there is the possibility of moderate and strong earthquakes. To further explore the crust density structure and identify the main faults and deep structural features in the Xu-Su region, based on the observed seismic data and gravity/GNSS co-site observation data, combined with the EGM2008 global gravity field model, we obtained the density of three-dimensional structure using cross gradient method joint inversion. Based on this, a geological model of the Xu-Su region was established. The results show that the crustal density anomaly amplitude within 0-25 km of the Xu-Su region ranges from-280 to 490 kg/m3, showing a zonal distribution in east-west direction and a segmented north-south direction. There are several density anomalies in the shallow(0-4 km) region at Tongshan, Huaibei, Xiayi, Woyang, etc. The density anomalies are significantly correlated with the distribution of regional faults. The density structure is divided into two large regions by Subei fault, which can be further divided along the eastwest Kouziji-Nanzhao fault and Guzhen-Huaiyuan fault. The earthquakes are obviously related to the regional fault activity and the spatial distribution of abnormal bodies. The earthquake-prone areas(5-15 km) correspond to the abnormal density mutation zone, upper uplift zone, and transformation zone near Xiaoxian, Tongshan, and Xushuanglou faults. The comprehensive results show three weak seismic activity areas in the whole region, which are located near the Huaibei, Xiaoxian, and Wohe faults. The results provide theoretical support for seismic risk analysis in this area, and these three areas should be emphasized in future seismic hazard analysis.
