Achievements are presented for truss models of RC structures developed in previous years: 1. Two constitutive models, biaxial and triaxial, are based on regular trusses, with bars obeying nonlinear uniaxial σ-ε laws...Achievements are presented for truss models of RC structures developed in previous years: 1. Two constitutive models, biaxial and triaxial, are based on regular trusses, with bars obeying nonlinear uniaxial σ-ε laws of material under simulation;both models have been compared with test results and show a dependence of Poisson ratio on curvature of σ-ε law. 2. A truss finite element has been used in the nonlinear static and dynamic analysis of plane RC frames;it has been compared with test results and describes, in a simple way, the formation of plastic hinges. 3. Thanks to the very simple geometry of a truss, the equilibrium equations can be easily written and the stiffness matrix can be easily updated, both with respect to the deformed truss, within each step of a static incremental loading or within each time step of a dynamic analysis, so that to take into account geometric nonlinearities. So the confinement of a RC column is interpreted as a structural stability effect of concrete. And a significant role of the transverse reinforcement is revealed, that of preventing, by its close spacing and sufficient amount, the buckling of inner longitudinal concrete struts, which would lead to a global instability of the RC column. 4. The proposed truss model is statically indeterminate, so it exhibits some features, which are not met by the “strut-and-tie” model.展开更多
High spatial frequency laser induced periodic surface structures(HSFLs)on silicon substrates are often developed on flat surfaces at low fluences near ablation threshold of 0.1 J/cm2,seldom on microstructures or micro...High spatial frequency laser induced periodic surface structures(HSFLs)on silicon substrates are often developed on flat surfaces at low fluences near ablation threshold of 0.1 J/cm2,seldom on microstructures or microgrooves at relatively higher fluences above 1 J/cm^2.This work aims to enrich the variety of HSFLs-containing hierarchical microstructures,by femtosecond laser(pulse duration:457 fs,wavelength:1045 nm,and repetition rate:100 kHz)in liquids(water and acetone)at laser fluence of 1.7 J/cm^2.The period of Si-HSFLs in the range of 110–200 nm is independent of the scanning speeds(0.1,0.5,1 and 2 mm/s),line intervals(5,15 and 20μm)of scanning lines and scanning directions(perpendicular or parallel to light polarization direction).It is interestingly found that besides normal HSFLs whose orientations are perpendicular to the direction of light polarization,both clockwise or anticlockwise randomly tilted HSFLs with a maximal deviation angle of 50°as compared to those of normal HSFLSs are found on the microstructures with height gradients.Raman spectra and SEM characterization jointly clarify that surface melting and nanocapillary waves play important roles in the formation of Si-HSFLs.The fact that no HSFLs are produced by laser ablation in air indicates that moderate melting facilitated with ultrafast liquid cooling is beneficial for the formation of HSFLs by LALs.On the basis of our findings and previous reports,a synergistic formation mechanism for HSFLs at high fluence was proposed and discussed,including thermal melting with the concomitance of ultrafast cooling in liquids,transformation of the molten layers into ripples and nanotips by surface plasmon polaritons(SPP)and second-harmonic generation(SHG),and modulation of Si-HSFLs direction by both nanocapillary waves and the localized electric field coming from the excited large Si particles.展开更多
Protein Secondary Structure Prediction (PSSP) is considered as one of the major challenging tasks in bioinformatics, so many solutions have been proposed to solve that problem via trying to achieve more accurate predi...Protein Secondary Structure Prediction (PSSP) is considered as one of the major challenging tasks in bioinformatics, so many solutions have been proposed to solve that problem via trying to achieve more accurate prediction results. The goal of this paper is to develop and implement an intelligent based system to predict secondary structure of a protein from its primary amino acid sequence by using five models of Neural Network (NN). These models are Feed Forward Neural Network (FNN), Learning Vector Quantization (LVQ), Probabilistic Neural Network (PNN), Convolutional Neural Network (CNN), and CNN Fine Tuning for PSSP. To evaluate our approaches two datasets have been used. The first one contains 114 protein samples, and the second one contains 1845 protein samples.展开更多
Peculiar properties of morphological structures of organelle membranes were studied by fluorescent confocal microscopy. The list of objects in our experiments was represented by mitochondria, chloroplasts and vacuoles...Peculiar properties of morphological structures of organelle membranes were studied by fluorescent confocal microscopy. The list of objects in our experiments was represented by mitochondria, chloroplasts and vacuoles. During this study, identification of lipid microinclusions having the form of such lipid-protein structural microformations as lipid-protein microdomains, vesicles and membrane tubular structures (cytoplasmic transvacuolar strands and nanotubes) located in organelle membranes or bound up with them was conducted. Such membrane probes as laurdan, DPH, ANS and bis-ANS were used. Comparison of fluorescence intensity of these membrane probes was conducted. This investigation of the morphological properties of lipid-protein structural microformations was accompanied with analysis of 1) the phase state and 2) dynamics of microviscosity variations in the membrane elements of isolated plant cell organelles. Distributions of laurdan fluorescence generalized polarization (GP) values for the membrane on the whole and for the intensively fluorescing membrane segments were obtained. It was discovered that the microviscosity of intensively fluorescing membrane segments essentially differed from the microviscosity of the rest part of the membrane. In conclusion, some results of the study of peculiar properties of lipid-protein structural microformations related to the structure of organelle membranes and the discoveries made in this investigation are discussed.展开更多
Neural stem cells,which are capable of multi-potential differentiation and self-renewal,have recently been shown to have clinical potential for repairing central nervous system tissue damage.However,the theme trends a...Neural stem cells,which are capable of multi-potential differentiation and self-renewal,have recently been shown to have clinical potential for repairing central nervous system tissue damage.However,the theme trends and knowledge structures for human neural stem cells have not yet been studied bibliometrically.In this study,we retrieved 2742 articles from the PubMed database from 2013 to 2018 using "Neural Stem Cells" as the retrieval word.Co-word analysis was conducted to statistically quantify the characteristics and popular themes of human neural stem cell-related studies.Bibliographic data matrices were generated with the Bibliographic Item Co-Occurrence Matrix Builder.We identified 78 high-frequency Medical Subject Heading(MeSH)terms.A visual matrix was built with the repeated bisection method in gCLUTO software.A social network analysis network was generated with Ucinet 6.0 software and GraphPad Prism 5 software.The analyses demonstrated that in the 6-year period,hot topics were clustered into five categories.As suggested by the constructed strategic diagram,studies related to cytology and physiology were well-developed,whereas those related to neural stem cell applications,tissue engineering,metabolism and cell signaling,and neural stem cell pathology and virology remained immature.Neural stem cell therapy for stroke and Parkinson’s disease,the genetics of microRNAs and brain neoplasms,as well as neuroprotective agents,Zika virus,Notch receptor,neural crest and embryonic stem cells were identified as emerging hot spots.These undeveloped themes and popular topics are potential points of focus for new studies on human neural stem cells.展开更多
Heterogeneity of biological samples is usually considered a major obstacle for three-dimensional (3D) structure determination of macromolecular complexes. Heterogeneity may occur at the level of composition or conform...Heterogeneity of biological samples is usually considered a major obstacle for three-dimensional (3D) structure determination of macromolecular complexes. Heterogeneity may occur at the level of composition or conformational variability of complexes and affects most 3D structure determination methods that rely on signal averaging. Here, an approach is described that allows sorting structural states based on a 3D statistical approach, the 3D sampling and classification (3D-SC) of 3D structures derived from single particles imaged by cryo electron microscopy (cryo-EM). The method is based on jackknifing & bootstrapping of 3D sub-ensembles and 3D multivariate statistical analysis followed by 3D classification. The robustness of the statistical sorting procedure is corroborated using model data from an RNA polymerase structure and experimental data from a ribosome complex. It allows resolving multiple states within heterogeneous complexes that thus become amendable for a structural analysis despite of their highly flexible nature. The method has important implications for high-resolution structural studies and allows describing structure ensembles to provide insights into the dynamics of multi-component macromolecular assemblies.展开更多
We report results from ab-initio, self-consistent density functional theory (DFT) calculations of electronic, transport and bulk properties of rock salt magnesium sulfide (MgS). In the absence of experimental data on ...We report results from ab-initio, self-consistent density functional theory (DFT) calculations of electronic, transport and bulk properties of rock salt magnesium sulfide (MgS). In the absence of experimental data on these properties, except for the bulk modulus, these results are predictions. Our calculations utilized the Ceperley and Alder local density approximation (LDA) potential and the linear combination of Gaussian orbitals (LCGO). The key difference between our computations and other previous ab-initio DFT ones stems from our use of successively larger basis sets, in consecutive, self-consistent calculations, to attain the ground state of the material. We predicted an indirect (Γ-X) band gap of 3.278 eV for a room temperature lattice constant of 5.200Å. We obtained a predicted low temperature indirect (Γ-X) band gap of 3.512 eV, using the equilibrium lattice constant of 5.183Å. We found a theoretical value of 79.76 GPa for the bulk modulus;it agrees very well with the experimental finding of 78 ±3.7 GPa.展开更多
A novel, Ti-6 Al-4 V(Ti64)/Hydroxyapatite(HA at 5% by weight concentration) metal/ceramic composite has been fabricated using electron beam powder bed fusion(EPBF) additive manufacturing(AM): specifically, the commerc...A novel, Ti-6 Al-4 V(Ti64)/Hydroxyapatite(HA at 5% by weight concentration) metal/ceramic composite has been fabricated using electron beam powder bed fusion(EPBF) additive manufacturing(AM): specifically, the commercial electron beam melting(EBM?) process. In addition to solid Ti64 and Ti64/5% HA samples, four different unit cell(model) open-cellular mesh structures for the Ti64/5% HA composite were fabricated having densities ranging from 0.68 to 1.12 g/cm^3, and corresponding Young's moduli ranging from 2.9 to 8.0 GPa, and compressive strengths ranging from ~3 to 11 MPa. The solid Ti64/5%HA composite exhibited an optimal tensile strength of 123 MPa, and elongation of 5.5% in contrast to a maximum compressive strength of 875 MPa. Both the solid composite and mesh samples deformed primarily by brittle deformation, with the mesh samples exhibiting erratic, brittle crushing. Solid, EPBF-fabricated Ti64 samples had a Vickers microindentation hardness of 4.1 GPa while the Ti64/5%HA solid composite exhibited a Vickers microindentation hardness of 6.8 GPa. The lowest density Ti64/5%HA composite mesh strut sections had a Vickers microindentation hardness of 7.1 GPa. Optical metallography(OM) and scanning electron microscopy(SEM) analysis showed the HA dispersoids to be highly segregated along domain or grain boundaries, but homogeneously distributed along alpha(hcp) platelet boundaries within these domains in the Ti64 matrix for both the solid and mesh composites. The alpha platelet width varied from ~5 μm in the EPBF-fabricated Ti64 to ~1.1 m for the Ti64/5%HA mesh strut. The precursor HA powder diameter averaged 5 μm, in contrast to the dispersed HA particle diameters in the Ti64/5%HA composite which averaged 0.5 m. This work highlights the use of EPBF AM as a novel process for fabrication of a true composite structure, consisting of a Ti64 matrix and interspersed and exposed HA domains, which to the authors' knowledge has not been reported before. The results also illustrate the prospects not only for fabricating specialized, novel composite bone replacement scaffolds and implants, through the combination of Ti64 and HA, but also prospects for producing a variety of related metal/ceramic composites using EPBF AM.展开更多
On the basis of the analysis of field thermogeochemical data along abnormal zones of a thermal stream in the Bukhara-Khiva, oil-and-gas region of the Turan (Tegermen, Chagakul, Shimoly Alat, Beshtepa) was succeeded to...On the basis of the analysis of field thermogeochemical data along abnormal zones of a thermal stream in the Bukhara-Khiva, oil-and-gas region of the Turan (Tegermen, Chagakul, Shimoly Alat, Beshtepa) was succeeded to obtain important data on a deep structure of sites. Data of gas-chemical and geothermal observations show about confinedness of abnormal concentration of methane to zones of the increased values of the temperature field the measured values of temperatures (Tegermen Square and others). On geoelectric section mines 2-D of inversion of the MT-field depth of 4000 m are lower, among very high-resistance the chemogenic and carbonate deposits of the Paleozoic is traced the subvertical carrying-out abnormal zone. This zone is identified as the channel of a deep heat and mass transfer with which hydrocarbon (HC) deposits are connected. It is shown that electro-investigation when using a geophysical complex can and has to become “advancing” at exploration by oil and gas.展开更多
Transition-metal dichalcogenides hosting multiple competing structural and electronic phases are thus ideal platforms for constructing polytype heterostructures with emergent quantum properties.However,controlling pha...Transition-metal dichalcogenides hosting multiple competing structural and electronic phases are thus ideal platforms for constructing polytype heterostructures with emergent quantum properties.However,controlling phase transitions to form diverse heterostructures inside a single crystal remains challenging.In this study,we realize vertical/lateral polytype heterostructures in a hole-doped Mott insulator via thermal annealing-induced structural transitions.Raman spectroscopy,atomic force microscopy and scanning Kelvin probe force microscopy confirm the coexistence of T-H polytype heterostructures.Atomic-scale scanning tunneling microscopy/spectroscopy measurements reveal the transparent effect in 1H/1T vertical heterostructures,where positive bias voltage induces in a pronounced superposition of the√13×√13 CDW of the 1T-layer on the 1H-layer.By systematically comparing the 1T/1H and 1T/1T interfaces,we demonstrate that the metallic 1H-layer induces a Coulomb screening effect on the 1T-layer,suppressing the formation of CDW domain walls and forming more ordered electronic states.These results clarify the interfacial coupling between distinct quantum many-body phases and establish a controllable pathway for constructing two-dimensional polytype heterostructures with tunable electronic properties.展开更多
There were more expounding to north—west (west) trend fault and north\|east trend fault within Qiangtang Basin, North Part of Tibet, in the past literature. With increasing of geophysical exploration data, nearly eas...There were more expounding to north—west (west) trend fault and north\|east trend fault within Qiangtang Basin, North Part of Tibet, in the past literature. With increasing of geophysical exploration data, nearly east\|west trend structure began to be taken note to. Since the year of 1995, by a synthetic study to geophysical and geological data, that south\|north trend faulted structures are well developed. These structures should be paid much more attention to, because they have important theoretical meaning and practical significance.1 Spreading of south\|north faulted structure belt According to different geological and geophysical data, the six larger scale nearly south\|north faulted structure belt could be distinguished within the scope of east longitude 84°～96° and near Qiangtang Basin. The actual location of the six belts are nearly located in the west of the six meridian of east longitude 85°,87°,89°,91°,93°,95° or located near these meridian. The six south\|north faulted structure belts spread in the same interval with near 2° longitude interval. The more clear and much more significance of south\|north trend faulted structure belts are the two S—N trend faulted structure belts of east longitude 87° and 89°. There are S—N trend faulted structure belts in the west of east longitude 83°,81°, or near the longitudes. The structure belts spreading features,manifestation,geological function and its importance, and inter texture and structure are not exactly so same. The structure belts all different degree caused different region of geological structure or gravity field and magnetic field. There is different scale near S—N trend faulted structure belt between the belts.展开更多
In this study dynamic analysis of Soil Structure Interaction (SSI) effect on multi story reinforced concrete (RC) frame founded on soft soil (flexible base) is made and compared with fixed base. Two model 2D RC frames...In this study dynamic analysis of Soil Structure Interaction (SSI) effect on multi story reinforced concrete (RC) frame founded on soft soil (flexible base) is made and compared with fixed base. Two model 2D RC frames with 7 and 12 story are selected for analysis. Winkler Spring and half space direct method models are used for flexible base for the frames founded on two types of soft soils with shear velocity Vs < 150 m/s Asper Seismic Codes of Chinese GB50011-2010 Soil IV and Ethiopian ES8-2015 soil D. The frames are subjected to strong ground motion matched to response spectrums of soft soil of Chinese GB50011-2010 and Ethiopian ES8-2015 for linear time history analysis. The dynamic analysis result shows Spring and Fixed base mass participation 90% reaches in 2 or 3 modes but in direct method 11 to 30 modes for story 12 and 7 respectively. However, both flexible base models have bigger fundamental period of vibration and inter story drift but smaller base shear than fixed base. In addition, within the flexible base models the inter-story drift, second order effect (P-Δ) and Story shear distribution are different along the height of frames. The spring model shows larger Story drift and second order effect (P-Δ) at the bottom of Story for both soft soils types. On the other hand, half space direct method model indicates value reverse to spring model;it gives bigger Story drift and P-Δ effect in the top stories than fixed base. Finally, this study concludes that base shear reduction due to SSI may not be always beneficial. Because the gravity load is constant in both fixed and flexible bases that cause bigger P-Δ effect at the bottom stories due to increase, inter story drift and decrease story shear in flexible base.展开更多
Habitat loss driven by land-use change is a major factor shaping the dynamics of urban bird community structures.However,the potential mechanisms by which the spatial configuration and composition of blue-green infras...Habitat loss driven by land-use change is a major factor shaping the dynamics of urban bird community structures.However,the potential mechanisms by which the spatial configuration and composition of blue-green infrastructure,recognized as biodiversity hotspots in urban landscapes,influence urban bird beta diversity remain insufficiently understood.This study was conducted in the built-up area of Yinchuan,an internationally recognized wetland city in Northwest China.From December 2023 to June 2024,we systematically surveyed bird communities during both the breeding and wintering periods across 29 blue-green space mosaics.We quantified taxonomic,functional,and phylogenetic beta diversity,along with their turnover component and nestedness-resultant component,based on both pairwise beta diversity and multiple-site beta diversity.We further assessed the relative importance of landscape variables and spatial geographic distance in shaping beta diversity patterns and used hierarchical modeling of species communities(HMSC)to explore the responses of bird occurrence and functional traits to landscape variables.Our results revealed that species turnover was the dominant driver of taxonomic,functional,and phylogenetic beta diversity.Seasonal differences were observed in the effects of spatial geographic distance and landscape structure on beta diversity and its components,with landscape variables showing higher explanatory power than geographic isolation.In the breeding period,landscape diversity and waterbody area had positive effects on bird occurrence,whereas in the wintering period,most landscape features—except for landscape diversity—exerted neutral or negative influences.Regarding functional traits,we found that reproductive traits,flight ability,and foraging characteristics responded significantly to landscape structure,and that some small-bodied species active in aerial and canopy layers were more adaptable to habitat fragmentation.This study provides novel insights into the assembly processes and driving mechanisms of urban bird communities and offers scientific support for the notion that designing and maintaining blue-green infrastructure can contribute to urban biodiversity conservation.展开更多
Understanding the acid resistance mechanism of S.mutans is crucial for preventing dental caries.FtsZ is the core protein for cell division in bacteria that can polymerize into Z-rings and drive cytokinesis.Our previou...Understanding the acid resistance mechanism of S.mutans is crucial for preventing dental caries.FtsZ is the core protein for cell division in bacteria that can polymerize into Z-rings and drive cytokinesis.Our previous study revealed that the FtsZ in S.mutans(SmFtsZ) has higher self-assembly and GTPase activity under acidic stress,which may be responsible for acid resistance and ca riogenesis of S.mutans.However,the functional structure mechanism of SmFtsZ under low pH conditions is still unclear.Here,we further reported the crystal structure of S.mutans FtsZ,revealing a unique lateral interface.Through protein polymerization and GTPase activity assay,we experimentally demonstrated that the mutation of Arg68 on this lateral interface significantly reduced the functional activity of FtsZ in an acidic environment.The phenotype assay and rat caries model further showed that the mutation of Arg68 effectively inhibited the acid resistance of S.mutans and the occurrence and progress of dental caries in vivo.By employing a molecular dynamics simulation analysis,we conclude that the mutation of Arg68 disrupts the conformation change necessary for SmFtsZ polymerization under acidic conditions.Our study proposes a novel mechanism to maintain FtsZ function in bacteria and could be a potential target for antimicrobial drugs to inhibit the growth of S.mutans in acidic environments.展开更多
The interdependence of electrical parameters has long inhibited the progress of bismuth telluride(Bi_(2)Te3),limiting its widespread application in thermoelectric cooling and power generation.This work investigates th...The interdependence of electrical parameters has long inhibited the progress of bismuth telluride(Bi_(2)Te3),limiting its widespread application in thermoelectric cooling and power generation.This work investigates the n-type Bi_(2)Te_(2.79)Se_(0.21)I_(0.004)(Bi_(2)(Te,Se)_(3),BTS)system with light Zn doping,revealing that Zn addition simultaneously enhances the Seebeck coefficient(S)and electrical conductivity(σ)through the modulation of defect composition and multi-level band regulation.The substitution of Zn atoms at Bi sites enhances S via bandgap(E_(g))widening,band flattening,and band splitting effects,contributing to a competitive power factor(PF)of∼60μW⋅cm^(−1)⋅K^(−2).Additionally,thermal conductivity is maintained at a low level,leading to an extraordinary figure-of-merit(ZT)value of∼1.3 at room temperature.Furthermore,the Bi_(2)Zn_(0.01)Te_(2.79)Se_(0.21)I_(0.004) system demonstrates impressive thermoelectric device performance,with a maximum cooling temperature difference(ΔT_(max))of∼70.0 K at 300 K,rising to∼78.0 K at 323 K and∼85.7 K at 343 K,as well as a maximum conversion efficiency(η_(max))of∼6.2%under aΔT of 200 K.This study clarifies the mechanism of Zn doping and presents a cost-effective strategy for enhancing the performance of n-type BTS thermoelectrics and their devices.展开更多
Classical computation of electronic properties in large-scale materials remains challenging.Quantum computation has the potential to offer advantages in memory footprint and computational scaling.However,general and v...Classical computation of electronic properties in large-scale materials remains challenging.Quantum computation has the potential to offer advantages in memory footprint and computational scaling.However,general and viable quantum algorithms for simulating large-scale materials are still limited.We propose and implement random-state quantum algorithms to calculate electronic-structure properties of real materials.Using a random state circuit on a small number of qubits,we employ real-time evolution with first-order Trotter decomposition and Hadamard test to obtain electronic density of states,and we develop a modified quantum phase estimation algorithm to calculate real-space local density of states via direct quantum measurements.Furthermore,we validate these algorithms by numerically computing the density of states and spatial distributions of electronic states in graphene,twisted bilayer graphene quasicrystals,and fractal lattices,covering system sizes from hundreds to thousands of atoms.Our results manifest that the random-state quantum algorithms provide a general and qubit-efficient route to scalable simulations of electronic properties in large-scale periodic and aperiodic materials.展开更多
We report the discovery of bulk superconductivity in a new quinary intermetallic compound Th_(2)Mo_(2)Ru_(2)Si_(4)C,crystallized in a collapsed 22241-type structure.This structure is characterized by the intergrowth o...We report the discovery of bulk superconductivity in a new quinary intermetallic compound Th_(2)Mo_(2)Ru_(2)Si_(4)C,crystallized in a collapsed 22241-type structure.This structure is characterized by the intergrowth of ThMo_(2)Si_(2)C and ThRu_(2)Si_(2) units interconnected by equivalent Si-Si bonds that enhance inter-sublattice coupling.The refined lattice parameters are a=4.2212(1)Å and c=20.3899(7)Å.Electrical resistivity and magnetic susceptibility measurements of both polycrystalline and single-crystal samples consistently demonstrate bulk superconductivity with a transition temperature T_(c)∼6.0 K significantly higher than those of the constituent compound ThMo_(2)Si_(2)C and its related analogs.Under magnetic fields,the superconducting state exhibits a nearly isotropic behavior,which is attributed to strong covalent interlayer coupling.First-principles calculations reveal a substantial contribution from the Mo-d orbitals near the Fermi level,which exhibit several band-crossing points.The enhancement in T_(c) can be attributed to the synergistic combination of the valence electron concentration and the inter-sublattice self-doping effect between the[Ru_(2)Si_(2)]and[Mo_(2)Si_(2)C]layers.展开更多
To overcome the limitations of traditional single-crystal X-ray diffraction(SCXRD)for microcrystalline materials and the peak-overlapping issue of powder X-ray diffraction(PXRD),this study employed cryogenic continuou...To overcome the limitations of traditional single-crystal X-ray diffraction(SCXRD)for microcrystalline materials and the peak-overlapping issue of powder X-ray diffraction(PXRD),this study employed cryogenic continuous rotation electron diffraction(cryo-cRED)with a low-dose strategy to determine the crystal structure of CL30,a novel silicogermanate framework.It is confirmed that CL30 crystallizes in the C2/m space group and has layered topology composed of discontinuous zigzag chains connected by double four-membered ring(d4r)units,with fluoride anions(F^(-))occluded in the d4r units.In CL30,charge balance involves organic structure-directing agent(OSDA)cations,occluded F^(-),and terminal oxygen sites whose protonation state cannot be established from the present three dimensional(3D)ED data.F^(-)encapsulated in the d4r units contributes to charge compensation as the counter-anion to OSDA cations,rather than only balancing the framework charge.Although the refinement indices(R_(1)=0.29,wR_(2)=0.71)exceeded typical small-molecule crystallography standards,the structural model remained highly reliable,as supported by geometric restraints and validation.In electron diffraction,elevated R_(1) values are commonly attributed to the intrinsic factors of the technique,such as dynamic scattering,detector noise from scintillator-based detectors,and TEM stage instability(large spheres of confusion).This study introduces a new structural prototype to the silicogermanate family and establishes a feasible workflow for determining the structures of radiation-sensitive microcrystalline porous materials.展开更多
With the in-depth implementation of sustainable development strategies,hydrogen energy as a clean energy source is receiving increasing attention[1,2].Among the various methods of hydrogen production,the electrocataly...With the in-depth implementation of sustainable development strategies,hydrogen energy as a clean energy source is receiving increasing attention[1,2].Among the various methods of hydrogen production,the electrocatalytic decomposition of abundant seawater into hydrogen utilizing renewable energy has emerged as a green and promising approach.However,natural seawater contains complex components,such as halide ions,which lead to the corrosion of catalysts or the occurrence of competitive side reactions during the electrolysis process[3].展开更多
The 1:200,000 middle-large scale Bouguer gravity anomaly data covering the southern segment of the Liaocheng-Lankao fault(SLLF)and its vicinity are analyzed with two methods.First,the Bouguer gravity anomaly data are ...The 1:200,000 middle-large scale Bouguer gravity anomaly data covering the southern segment of the Liaocheng-Lankao fault(SLLF)and its vicinity are analyzed with two methods.First,the Bouguer gravity anomaly data are decomposed by two-dimensional(2 D)wavelet to make the family of multi-scale modes correspond with density structure at different depths.Second,a two and half dimension(2.5 D)human-computer interaction inversion of the Bouguer gravity anomaly data are conducted with the constraints provided by two deep seismic sounding profiles(DSS1 and DSS2)crossing the study area to get the crustal density profiles.Based on the integrated study,we can draw the following conclusions:1)SLLF appears to be a deep fault with almost vertical dipping and rooted into the uppermost mantle;2)In the middle to upper crust SLLF shows an clear turning patterns and segmentation features;3)In the study area the epicentral distributions of the precisely re-located small earthquakes and the historical large earthquakes have a good correspondence with the turning patterns and segmentation features of SLLF;and 4)The results of the horizontal slices from 2 D wavelet decomposition show that there are significant differences in the density structure on the two sides of the fault.A well-defined concave structure with low density exists in the upper crust of the Dongming Depression on the west side of the fault,with the concave center being estimated at a depth of about 8 km.In contrast,the upper crust on the east side presents a relative thinner pattern in depth with a bit higher density.Meanwhile,the low-density structure in the middle crust underneath the fault is presumably caused by the uplift of the upper mantle materials and their intrusion along the deep rupture system.This paper clarified the inconsistency of fault system and epicenters of small earthquakes from upper to lower crust.The results indicated that the fault system plays an important governing role to the seismicity in this area.展开更多
文摘Achievements are presented for truss models of RC structures developed in previous years: 1. Two constitutive models, biaxial and triaxial, are based on regular trusses, with bars obeying nonlinear uniaxial σ-ε laws of material under simulation;both models have been compared with test results and show a dependence of Poisson ratio on curvature of σ-ε law. 2. A truss finite element has been used in the nonlinear static and dynamic analysis of plane RC frames;it has been compared with test results and describes, in a simple way, the formation of plastic hinges. 3. Thanks to the very simple geometry of a truss, the equilibrium equations can be easily written and the stiffness matrix can be easily updated, both with respect to the deformed truss, within each step of a static incremental loading or within each time step of a dynamic analysis, so that to take into account geometric nonlinearities. So the confinement of a RC column is interpreted as a structural stability effect of concrete. And a significant role of the transverse reinforcement is revealed, that of preventing, by its close spacing and sufficient amount, the buckling of inner longitudinal concrete struts, which would lead to a global instability of the RC column. 4. The proposed truss model is statically indeterminate, so it exhibits some features, which are not met by the “strut-and-tie” model.
文摘High spatial frequency laser induced periodic surface structures(HSFLs)on silicon substrates are often developed on flat surfaces at low fluences near ablation threshold of 0.1 J/cm2,seldom on microstructures or microgrooves at relatively higher fluences above 1 J/cm^2.This work aims to enrich the variety of HSFLs-containing hierarchical microstructures,by femtosecond laser(pulse duration:457 fs,wavelength:1045 nm,and repetition rate:100 kHz)in liquids(water and acetone)at laser fluence of 1.7 J/cm^2.The period of Si-HSFLs in the range of 110–200 nm is independent of the scanning speeds(0.1,0.5,1 and 2 mm/s),line intervals(5,15 and 20μm)of scanning lines and scanning directions(perpendicular or parallel to light polarization direction).It is interestingly found that besides normal HSFLs whose orientations are perpendicular to the direction of light polarization,both clockwise or anticlockwise randomly tilted HSFLs with a maximal deviation angle of 50°as compared to those of normal HSFLSs are found on the microstructures with height gradients.Raman spectra and SEM characterization jointly clarify that surface melting and nanocapillary waves play important roles in the formation of Si-HSFLs.The fact that no HSFLs are produced by laser ablation in air indicates that moderate melting facilitated with ultrafast liquid cooling is beneficial for the formation of HSFLs by LALs.On the basis of our findings and previous reports,a synergistic formation mechanism for HSFLs at high fluence was proposed and discussed,including thermal melting with the concomitance of ultrafast cooling in liquids,transformation of the molten layers into ripples and nanotips by surface plasmon polaritons(SPP)and second-harmonic generation(SHG),and modulation of Si-HSFLs direction by both nanocapillary waves and the localized electric field coming from the excited large Si particles.
文摘Protein Secondary Structure Prediction (PSSP) is considered as one of the major challenging tasks in bioinformatics, so many solutions have been proposed to solve that problem via trying to achieve more accurate prediction results. The goal of this paper is to develop and implement an intelligent based system to predict secondary structure of a protein from its primary amino acid sequence by using five models of Neural Network (NN). These models are Feed Forward Neural Network (FNN), Learning Vector Quantization (LVQ), Probabilistic Neural Network (PNN), Convolutional Neural Network (CNN), and CNN Fine Tuning for PSSP. To evaluate our approaches two datasets have been used. The first one contains 114 protein samples, and the second one contains 1845 protein samples.
文摘Peculiar properties of morphological structures of organelle membranes were studied by fluorescent confocal microscopy. The list of objects in our experiments was represented by mitochondria, chloroplasts and vacuoles. During this study, identification of lipid microinclusions having the form of such lipid-protein structural microformations as lipid-protein microdomains, vesicles and membrane tubular structures (cytoplasmic transvacuolar strands and nanotubes) located in organelle membranes or bound up with them was conducted. Such membrane probes as laurdan, DPH, ANS and bis-ANS were used. Comparison of fluorescence intensity of these membrane probes was conducted. This investigation of the morphological properties of lipid-protein structural microformations was accompanied with analysis of 1) the phase state and 2) dynamics of microviscosity variations in the membrane elements of isolated plant cell organelles. Distributions of laurdan fluorescence generalized polarization (GP) values for the membrane on the whole and for the intensively fluorescing membrane segments were obtained. It was discovered that the microviscosity of intensively fluorescing membrane segments essentially differed from the microviscosity of the rest part of the membrane. In conclusion, some results of the study of peculiar properties of lipid-protein structural microformations related to the structure of organelle membranes and the discoveries made in this investigation are discussed.
基金supported by the National Natural Science Foundation of China,No.81471308(to JL)the Stem Cell Clinical Research Project in China,No.CMR-20161129-1003(to JL)the Innovation Technology Funding of Dalian in China,No.2018J11CY025(to JL)
文摘Neural stem cells,which are capable of multi-potential differentiation and self-renewal,have recently been shown to have clinical potential for repairing central nervous system tissue damage.However,the theme trends and knowledge structures for human neural stem cells have not yet been studied bibliometrically.In this study,we retrieved 2742 articles from the PubMed database from 2013 to 2018 using "Neural Stem Cells" as the retrieval word.Co-word analysis was conducted to statistically quantify the characteristics and popular themes of human neural stem cell-related studies.Bibliographic data matrices were generated with the Bibliographic Item Co-Occurrence Matrix Builder.We identified 78 high-frequency Medical Subject Heading(MeSH)terms.A visual matrix was built with the repeated bisection method in gCLUTO software.A social network analysis network was generated with Ucinet 6.0 software and GraphPad Prism 5 software.The analyses demonstrated that in the 6-year period,hot topics were clustered into five categories.As suggested by the constructed strategic diagram,studies related to cytology and physiology were well-developed,whereas those related to neural stem cell applications,tissue engineering,metabolism and cell signaling,and neural stem cell pathology and virology remained immature.Neural stem cell therapy for stroke and Parkinson’s disease,the genetics of microRNAs and brain neoplasms,as well as neuroprotective agents,Zika virus,Notch receptor,neural crest and embryonic stem cells were identified as emerging hot spots.These undeveloped themes and popular topics are potential points of focus for new studies on human neural stem cells.
文摘Heterogeneity of biological samples is usually considered a major obstacle for three-dimensional (3D) structure determination of macromolecular complexes. Heterogeneity may occur at the level of composition or conformational variability of complexes and affects most 3D structure determination methods that rely on signal averaging. Here, an approach is described that allows sorting structural states based on a 3D statistical approach, the 3D sampling and classification (3D-SC) of 3D structures derived from single particles imaged by cryo electron microscopy (cryo-EM). The method is based on jackknifing & bootstrapping of 3D sub-ensembles and 3D multivariate statistical analysis followed by 3D classification. The robustness of the statistical sorting procedure is corroborated using model data from an RNA polymerase structure and experimental data from a ribosome complex. It allows resolving multiple states within heterogeneous complexes that thus become amendable for a structural analysis despite of their highly flexible nature. The method has important implications for high-resolution structural studies and allows describing structure ensembles to provide insights into the dynamics of multi-component macromolecular assemblies.
文摘We report results from ab-initio, self-consistent density functional theory (DFT) calculations of electronic, transport and bulk properties of rock salt magnesium sulfide (MgS). In the absence of experimental data on these properties, except for the bulk modulus, these results are predictions. Our calculations utilized the Ceperley and Alder local density approximation (LDA) potential and the linear combination of Gaussian orbitals (LCGO). The key difference between our computations and other previous ab-initio DFT ones stems from our use of successively larger basis sets, in consecutive, self-consistent calculations, to attain the ground state of the material. We predicted an indirect (Γ-X) band gap of 3.278 eV for a room temperature lattice constant of 5.200Å. We obtained a predicted low temperature indirect (Γ-X) band gap of 3.512 eV, using the equilibrium lattice constant of 5.183Å. We found a theoretical value of 79.76 GPa for the bulk modulus;it agrees very well with the experimental finding of 78 ±3.7 GPa.
文摘A novel, Ti-6 Al-4 V(Ti64)/Hydroxyapatite(HA at 5% by weight concentration) metal/ceramic composite has been fabricated using electron beam powder bed fusion(EPBF) additive manufacturing(AM): specifically, the commercial electron beam melting(EBM?) process. In addition to solid Ti64 and Ti64/5% HA samples, four different unit cell(model) open-cellular mesh structures for the Ti64/5% HA composite were fabricated having densities ranging from 0.68 to 1.12 g/cm^3, and corresponding Young's moduli ranging from 2.9 to 8.0 GPa, and compressive strengths ranging from ~3 to 11 MPa. The solid Ti64/5%HA composite exhibited an optimal tensile strength of 123 MPa, and elongation of 5.5% in contrast to a maximum compressive strength of 875 MPa. Both the solid composite and mesh samples deformed primarily by brittle deformation, with the mesh samples exhibiting erratic, brittle crushing. Solid, EPBF-fabricated Ti64 samples had a Vickers microindentation hardness of 4.1 GPa while the Ti64/5%HA solid composite exhibited a Vickers microindentation hardness of 6.8 GPa. The lowest density Ti64/5%HA composite mesh strut sections had a Vickers microindentation hardness of 7.1 GPa. Optical metallography(OM) and scanning electron microscopy(SEM) analysis showed the HA dispersoids to be highly segregated along domain or grain boundaries, but homogeneously distributed along alpha(hcp) platelet boundaries within these domains in the Ti64 matrix for both the solid and mesh composites. The alpha platelet width varied from ~5 μm in the EPBF-fabricated Ti64 to ~1.1 m for the Ti64/5%HA mesh strut. The precursor HA powder diameter averaged 5 μm, in contrast to the dispersed HA particle diameters in the Ti64/5%HA composite which averaged 0.5 m. This work highlights the use of EPBF AM as a novel process for fabrication of a true composite structure, consisting of a Ti64 matrix and interspersed and exposed HA domains, which to the authors' knowledge has not been reported before. The results also illustrate the prospects not only for fabricating specialized, novel composite bone replacement scaffolds and implants, through the combination of Ti64 and HA, but also prospects for producing a variety of related metal/ceramic composites using EPBF AM.
文摘On the basis of the analysis of field thermogeochemical data along abnormal zones of a thermal stream in the Bukhara-Khiva, oil-and-gas region of the Turan (Tegermen, Chagakul, Shimoly Alat, Beshtepa) was succeeded to obtain important data on a deep structure of sites. Data of gas-chemical and geothermal observations show about confinedness of abnormal concentration of methane to zones of the increased values of the temperature field the measured values of temperatures (Tegermen Square and others). On geoelectric section mines 2-D of inversion of the MT-field depth of 4000 m are lower, among very high-resistance the chemogenic and carbonate deposits of the Paleozoic is traced the subvertical carrying-out abnormal zone. This zone is identified as the channel of a deep heat and mass transfer with which hydrocarbon (HC) deposits are connected. It is shown that electro-investigation when using a geophysical complex can and has to become “advancing” at exploration by oil and gas.
基金supported by the National Natural Science Foundation of China (Grant Nos.92477128,92580137,92477205,12374200,11604063,11974422,and 12104504)the National Key R&D Program of China (MOST) (Grant No.2023YFA1406500)+3 种基金the Strategic Priority Research Program (Chinese Academy of Sciences,CAS) (Grant No.XDB30000000)the Fundamental Research Funds for the Central Universities and Research Funds of Renmin University of China (Grant No.21XNLG27)supported by the Outstanding Innovative Talents Cultivation Funded Programs 2023 of the Renmin University of Chinaan outcome of “Two-dimensional anisotropic series of materials FePd2+xTe2:a structural modulation study from the atomic scale to the mesoscopic scale” (RUC25QSDL128),funded by the “Qiushi Academic-Dongliang” Talent Cultivation Project at Renmin University of China in 2025。
文摘Transition-metal dichalcogenides hosting multiple competing structural and electronic phases are thus ideal platforms for constructing polytype heterostructures with emergent quantum properties.However,controlling phase transitions to form diverse heterostructures inside a single crystal remains challenging.In this study,we realize vertical/lateral polytype heterostructures in a hole-doped Mott insulator via thermal annealing-induced structural transitions.Raman spectroscopy,atomic force microscopy and scanning Kelvin probe force microscopy confirm the coexistence of T-H polytype heterostructures.Atomic-scale scanning tunneling microscopy/spectroscopy measurements reveal the transparent effect in 1H/1T vertical heterostructures,where positive bias voltage induces in a pronounced superposition of the√13×√13 CDW of the 1T-layer on the 1H-layer.By systematically comparing the 1T/1H and 1T/1T interfaces,we demonstrate that the metallic 1H-layer induces a Coulomb screening effect on the 1T-layer,suppressing the formation of CDW domain walls and forming more ordered electronic states.These results clarify the interfacial coupling between distinct quantum many-body phases and establish a controllable pathway for constructing two-dimensional polytype heterostructures with tunable electronic properties.
文摘There were more expounding to north—west (west) trend fault and north\|east trend fault within Qiangtang Basin, North Part of Tibet, in the past literature. With increasing of geophysical exploration data, nearly east\|west trend structure began to be taken note to. Since the year of 1995, by a synthetic study to geophysical and geological data, that south\|north trend faulted structures are well developed. These structures should be paid much more attention to, because they have important theoretical meaning and practical significance.1 Spreading of south\|north faulted structure belt According to different geological and geophysical data, the six larger scale nearly south\|north faulted structure belt could be distinguished within the scope of east longitude 84°～96° and near Qiangtang Basin. The actual location of the six belts are nearly located in the west of the six meridian of east longitude 85°,87°,89°,91°,93°,95° or located near these meridian. The six south\|north faulted structure belts spread in the same interval with near 2° longitude interval. The more clear and much more significance of south\|north trend faulted structure belts are the two S—N trend faulted structure belts of east longitude 87° and 89°. There are S—N trend faulted structure belts in the west of east longitude 83°,81°, or near the longitudes. The structure belts spreading features,manifestation,geological function and its importance, and inter texture and structure are not exactly so same. The structure belts all different degree caused different region of geological structure or gravity field and magnetic field. There is different scale near S—N trend faulted structure belt between the belts.
文摘In this study dynamic analysis of Soil Structure Interaction (SSI) effect on multi story reinforced concrete (RC) frame founded on soft soil (flexible base) is made and compared with fixed base. Two model 2D RC frames with 7 and 12 story are selected for analysis. Winkler Spring and half space direct method models are used for flexible base for the frames founded on two types of soft soils with shear velocity Vs < 150 m/s Asper Seismic Codes of Chinese GB50011-2010 Soil IV and Ethiopian ES8-2015 soil D. The frames are subjected to strong ground motion matched to response spectrums of soft soil of Chinese GB50011-2010 and Ethiopian ES8-2015 for linear time history analysis. The dynamic analysis result shows Spring and Fixed base mass participation 90% reaches in 2 or 3 modes but in direct method 11 to 30 modes for story 12 and 7 respectively. However, both flexible base models have bigger fundamental period of vibration and inter story drift but smaller base shear than fixed base. In addition, within the flexible base models the inter-story drift, second order effect (P-Δ) and Story shear distribution are different along the height of frames. The spring model shows larger Story drift and second order effect (P-Δ) at the bottom of Story for both soft soils types. On the other hand, half space direct method model indicates value reverse to spring model;it gives bigger Story drift and P-Δ effect in the top stories than fixed base. Finally, this study concludes that base shear reduction due to SSI may not be always beneficial. Because the gravity load is constant in both fixed and flexible bases that cause bigger P-Δ effect at the bottom stories due to increase, inter story drift and decrease story shear in flexible base.
基金supported by the National Natural Science Foundation of China(32401409)the Central Government’s Special Fund for National Key Protected Wildlife Conservation Projects in Yinchuan City(HXCG-ZC2023148,XZ-2024-16)。
文摘Habitat loss driven by land-use change is a major factor shaping the dynamics of urban bird community structures.However,the potential mechanisms by which the spatial configuration and composition of blue-green infrastructure,recognized as biodiversity hotspots in urban landscapes,influence urban bird beta diversity remain insufficiently understood.This study was conducted in the built-up area of Yinchuan,an internationally recognized wetland city in Northwest China.From December 2023 to June 2024,we systematically surveyed bird communities during both the breeding and wintering periods across 29 blue-green space mosaics.We quantified taxonomic,functional,and phylogenetic beta diversity,along with their turnover component and nestedness-resultant component,based on both pairwise beta diversity and multiple-site beta diversity.We further assessed the relative importance of landscape variables and spatial geographic distance in shaping beta diversity patterns and used hierarchical modeling of species communities(HMSC)to explore the responses of bird occurrence and functional traits to landscape variables.Our results revealed that species turnover was the dominant driver of taxonomic,functional,and phylogenetic beta diversity.Seasonal differences were observed in the effects of spatial geographic distance and landscape structure on beta diversity and its components,with landscape variables showing higher explanatory power than geographic isolation.In the breeding period,landscape diversity and waterbody area had positive effects on bird occurrence,whereas in the wintering period,most landscape features—except for landscape diversity—exerted neutral or negative influences.Regarding functional traits,we found that reproductive traits,flight ability,and foraging characteristics responded significantly to landscape structure,and that some small-bodied species active in aerial and canopy layers were more adaptable to habitat fragmentation.This study provides novel insights into the assembly processes and driving mechanisms of urban bird communities and offers scientific support for the notion that designing and maintaining blue-green infrastructure can contribute to urban biodiversity conservation.
基金supported by the Beijing Natural Science Foundation:7222220National Natural Science Foundation of China (82001039)+2 种基金Research Foundation of Peking University School and Hospital of Stomatology:PKUSS20230117The Fundamental Research Funds for the Central UniversitiesYoung Elite Scientist Sponsorship Program by CAST (No.2019QNRC001 to Y.L.L)。
文摘Understanding the acid resistance mechanism of S.mutans is crucial for preventing dental caries.FtsZ is the core protein for cell division in bacteria that can polymerize into Z-rings and drive cytokinesis.Our previous study revealed that the FtsZ in S.mutans(SmFtsZ) has higher self-assembly and GTPase activity under acidic stress,which may be responsible for acid resistance and ca riogenesis of S.mutans.However,the functional structure mechanism of SmFtsZ under low pH conditions is still unclear.Here,we further reported the crystal structure of S.mutans FtsZ,revealing a unique lateral interface.Through protein polymerization and GTPase activity assay,we experimentally demonstrated that the mutation of Arg68 on this lateral interface significantly reduced the functional activity of FtsZ in an acidic environment.The phenotype assay and rat caries model further showed that the mutation of Arg68 effectively inhibited the acid resistance of S.mutans and the occurrence and progress of dental caries in vivo.By employing a molecular dynamics simulation analysis,we conclude that the mutation of Arg68 disrupts the conformation change necessary for SmFtsZ polymerization under acidic conditions.Our study proposes a novel mechanism to maintain FtsZ function in bacteria and could be a potential target for antimicrobial drugs to inhibit the growth of S.mutans in acidic environments.
基金supported by the National Key Research and Development Program of China (Grant No.2024YFA1210400)the National Science Fund for Distinguished Young Scholars (Grant No.52525101)+3 种基金the National Natural Science Foundation of China (Grant Nos.52450001 and 22409014)the International Cooperation and Exchange of the National Natural Science Foundation of China (Grant No.52411540237)the Tencent Xplorer Prizethe support of the National High-Level Talent Special Support Programs—Young Talents。
文摘The interdependence of electrical parameters has long inhibited the progress of bismuth telluride(Bi_(2)Te3),limiting its widespread application in thermoelectric cooling and power generation.This work investigates the n-type Bi_(2)Te_(2.79)Se_(0.21)I_(0.004)(Bi_(2)(Te,Se)_(3),BTS)system with light Zn doping,revealing that Zn addition simultaneously enhances the Seebeck coefficient(S)and electrical conductivity(σ)through the modulation of defect composition and multi-level band regulation.The substitution of Zn atoms at Bi sites enhances S via bandgap(E_(g))widening,band flattening,and band splitting effects,contributing to a competitive power factor(PF)of∼60μW⋅cm^(−1)⋅K^(−2).Additionally,thermal conductivity is maintained at a low level,leading to an extraordinary figure-of-merit(ZT)value of∼1.3 at room temperature.Furthermore,the Bi_(2)Zn_(0.01)Te_(2.79)Se_(0.21)I_(0.004) system demonstrates impressive thermoelectric device performance,with a maximum cooling temperature difference(ΔT_(max))of∼70.0 K at 300 K,rising to∼78.0 K at 323 K and∼85.7 K at 343 K,as well as a maximum conversion efficiency(η_(max))of∼6.2%under aΔT of 200 K.This study clarifies the mechanism of Zn doping and presents a cost-effective strategy for enhancing the performance of n-type BTS thermoelectrics and their devices.
基金supported by the Major Project for the Integration of ScienceEducation and Industry (Grant No.2025ZDZX02)。
文摘Classical computation of electronic properties in large-scale materials remains challenging.Quantum computation has the potential to offer advantages in memory footprint and computational scaling.However,general and viable quantum algorithms for simulating large-scale materials are still limited.We propose and implement random-state quantum algorithms to calculate electronic-structure properties of real materials.Using a random state circuit on a small number of qubits,we employ real-time evolution with first-order Trotter decomposition and Hadamard test to obtain electronic density of states,and we develop a modified quantum phase estimation algorithm to calculate real-space local density of states via direct quantum measurements.Furthermore,we validate these algorithms by numerically computing the density of states and spatial distributions of electronic states in graphene,twisted bilayer graphene quasicrystals,and fractal lattices,covering system sizes from hundreds to thousands of atoms.Our results manifest that the random-state quantum algorithms provide a general and qubit-efficient route to scalable simulations of electronic properties in large-scale periodic and aperiodic materials.
基金supported by the National Key Research and Development Program of China (Grant Nos.2022YFA1403202 and 2023YFA1406101)the CAS Superconducting Research Project (Grant No.SCZX-0101)。
文摘We report the discovery of bulk superconductivity in a new quinary intermetallic compound Th_(2)Mo_(2)Ru_(2)Si_(4)C,crystallized in a collapsed 22241-type structure.This structure is characterized by the intergrowth of ThMo_(2)Si_(2)C and ThRu_(2)Si_(2) units interconnected by equivalent Si-Si bonds that enhance inter-sublattice coupling.The refined lattice parameters are a=4.2212(1)Å and c=20.3899(7)Å.Electrical resistivity and magnetic susceptibility measurements of both polycrystalline and single-crystal samples consistently demonstrate bulk superconductivity with a transition temperature T_(c)∼6.0 K significantly higher than those of the constituent compound ThMo_(2)Si_(2)C and its related analogs.Under magnetic fields,the superconducting state exhibits a nearly isotropic behavior,which is attributed to strong covalent interlayer coupling.First-principles calculations reveal a substantial contribution from the Mo-d orbitals near the Fermi level,which exhibit several band-crossing points.The enhancement in T_(c) can be attributed to the synergistic combination of the valence electron concentration and the inter-sublattice self-doping effect between the[Ru_(2)Si_(2)]and[Mo_(2)Si_(2)C]layers.
基金supported by the National Natural Science Foundation of China (Grant No.12374021)Beijing Natural Science Foundation (Grant No.1252031)。
文摘To overcome the limitations of traditional single-crystal X-ray diffraction(SCXRD)for microcrystalline materials and the peak-overlapping issue of powder X-ray diffraction(PXRD),this study employed cryogenic continuous rotation electron diffraction(cryo-cRED)with a low-dose strategy to determine the crystal structure of CL30,a novel silicogermanate framework.It is confirmed that CL30 crystallizes in the C2/m space group and has layered topology composed of discontinuous zigzag chains connected by double four-membered ring(d4r)units,with fluoride anions(F^(-))occluded in the d4r units.In CL30,charge balance involves organic structure-directing agent(OSDA)cations,occluded F^(-),and terminal oxygen sites whose protonation state cannot be established from the present three dimensional(3D)ED data.F^(-)encapsulated in the d4r units contributes to charge compensation as the counter-anion to OSDA cations,rather than only balancing the framework charge.Although the refinement indices(R_(1)=0.29,wR_(2)=0.71)exceeded typical small-molecule crystallography standards,the structural model remained highly reliable,as supported by geometric restraints and validation.In electron diffraction,elevated R_(1) values are commonly attributed to the intrinsic factors of the technique,such as dynamic scattering,detector noise from scintillator-based detectors,and TEM stage instability(large spheres of confusion).This study introduces a new structural prototype to the silicogermanate family and establishes a feasible workflow for determining the structures of radiation-sensitive microcrystalline porous materials.
基金financially supported by the Natural Science Research Start-up Foundation of Recruiting Talents of Nanjing University of Posts and Telecommunications(No.NY223016)Qinglan Project of Jiangsu Province of China2024 Nanjing Science and Technology Innovation Program(No.NJKCZYZZ2024-06)。
文摘With the in-depth implementation of sustainable development strategies,hydrogen energy as a clean energy source is receiving increasing attention[1,2].Among the various methods of hydrogen production,the electrocatalytic decomposition of abundant seawater into hydrogen utilizing renewable energy has emerged as a green and promising approach.However,natural seawater contains complex components,such as halide ions,which lead to the corrosion of catalysts or the occurrence of competitive side reactions during the electrolysis process[3].
基金financial support from China Scholarship Councilthe support from the Seismic Youth Founding of GEC (Grant No. YFGEC2016008)the National Natural Science Foundation of China(Grant No. 41474077)
文摘The 1:200,000 middle-large scale Bouguer gravity anomaly data covering the southern segment of the Liaocheng-Lankao fault(SLLF)and its vicinity are analyzed with two methods.First,the Bouguer gravity anomaly data are decomposed by two-dimensional(2 D)wavelet to make the family of multi-scale modes correspond with density structure at different depths.Second,a two and half dimension(2.5 D)human-computer interaction inversion of the Bouguer gravity anomaly data are conducted with the constraints provided by two deep seismic sounding profiles(DSS1 and DSS2)crossing the study area to get the crustal density profiles.Based on the integrated study,we can draw the following conclusions:1)SLLF appears to be a deep fault with almost vertical dipping and rooted into the uppermost mantle;2)In the middle to upper crust SLLF shows an clear turning patterns and segmentation features;3)In the study area the epicentral distributions of the precisely re-located small earthquakes and the historical large earthquakes have a good correspondence with the turning patterns and segmentation features of SLLF;and 4)The results of the horizontal slices from 2 D wavelet decomposition show that there are significant differences in the density structure on the two sides of the fault.A well-defined concave structure with low density exists in the upper crust of the Dongming Depression on the west side of the fault,with the concave center being estimated at a depth of about 8 km.In contrast,the upper crust on the east side presents a relative thinner pattern in depth with a bit higher density.Meanwhile,the low-density structure in the middle crust underneath the fault is presumably caused by the uplift of the upper mantle materials and their intrusion along the deep rupture system.This paper clarified the inconsistency of fault system and epicenters of small earthquakes from upper to lower crust.The results indicated that the fault system plays an important governing role to the seismicity in this area.
