High-mobility semiconductor nanotubes have demonstrated great potential for applications in high-speed transistors,single-charge detection,and memory devices.Here we systematically investigated the electronic properti...High-mobility semiconductor nanotubes have demonstrated great potential for applications in high-speed transistors,single-charge detection,and memory devices.Here we systematically investigated the electronic properties of single-walled boron antimonide(BSb)nanotubes using first-principles calculations.We observed that rolling the hexagonal boron antimonide monolayer into armchair(ANT)and zigzag(ZNT)nanotubes induces compression and wrinkling effects,significantly modifying the band structures and carrier mobilities through band folding andπ^(*)-σ^(*)hybridization.As the chiral index increases,the band gap and carrier mobility of ANTs decrease monotonically,where electron mobility consistently exceeds hole mobility.In contrast,ZNTs exhibit a more complex trend:the band gap first increases and then decreases,and the carrier mobility displays oscillatory behavior.In particular,both ANTs and ZNTs could exhibit significantly higher carrier mobilities compared to hexagonal monolayer and zinc-blende BSb,reaching 10^(-3)-10^(-7) cm^(-2)·V^(-1)·s^(-1).Our findings highlight strong curvature-induced modifications in the electronic properties of single-walled BSb nanotubes,demonstrating the latter as a promising candidate for high-performance electronic devices.展开更多
Novel ordered intermetallic compounds have stimulated much interest.Ru–Al alloys are a prominent class of hightemperature structural materials,but the experimentally reported crystal structure of the intermetallic Ru...Novel ordered intermetallic compounds have stimulated much interest.Ru–Al alloys are a prominent class of hightemperature structural materials,but the experimentally reported crystal structure of the intermetallic Ru_(2)Al_(5) phase remains elusive and debatable.To resolve this controversy,we extensively explored the crystal structures of Ru_(2)Al_(5) using first-principles calculations combined with crystal structure prediction technique.Among the calculated x-ray diffraction patterns and lattice parameters of five candidate Ru2Al5structures,those of the orthorhombic Pmmn structure best aligned with recent experimental results.The structural stabilities of the five Ru_(2)Al_(5)structures were confirmed through formation energy,elastic constants,and phonon spectrum calculations.We also comprehensively analyzed the mechanical and electronic properties of the five candidates.This work can guide the exploration of novel ordered intermetallic compounds in Ru–Al alloys.展开更多
The cyclic hydraulic stimulation(CHS) has proven as a prospective technology for enhancing the permeability of unconventional formations such as coalbeds. However, the effects of CHS on the microstructure and gas sorp...The cyclic hydraulic stimulation(CHS) has proven as a prospective technology for enhancing the permeability of unconventional formations such as coalbeds. However, the effects of CHS on the microstructure and gas sorption behavior of coal remain unclear. In this study, laboratory tests including the nuclear magnetic resonance(NMR), low-temperature nitrogen sorption(LTNS), and methane sorption isotherm measurement were conducted to explore changes in the pore structure and methane sorption characteristics caused by CHS on an anthracite coal from Qinshui Basin, China. The NMR and LTNS tests show that after CHS treatment, meso- and macro-pores tend to be enlarged, whereas micropores with larger sizes and transition-pores may be converted into smaller-sized micro-pores. After the coal samples treated with 1, 3, 5 and 7 hydraulic stimulation cycles, the total specific surface area(TSSA)decreased from 0.636 to 0.538, 0.516, 0.505, and 0.491 m^(2)/g, respectively. Fractal analysis based on the NMR and LTNS results show that the surface fractal dimensions increase with the increase in the number of hydraulic stimulation cycles, while the volume fractal dimensions exhibit an opposite trend to the surface fractal dimensions, indicating that the pore surface roughness and pore structure connectivity are both increased after CHS treatment. Methane sorption isothermal measurements show that both the Langmuir volume and Langmuir pressure decrease significantly with the increase in the number of hydraulic stimulation cycles. The Langmuir volume and the Langmuir pressure decrease from 33.47 cm^(3)/g and 0.205 MPa to 24.18 cm^(3)/g and 0.176 MPa after the coal samples treated with 7 hydraulic stimulation cycles, respectively. The increments of Langmuir volume and Langmuir pressure are positively correlated with the increment of TSSA and negatively correlated with the increments of surface fractal dimensions.展开更多
In this paper,the numerical simulation method is used to study the ballistic performances of hourglass lattice sandwich structures with the same mass under the vertical incidence of fragments.Attention is paid to eluc...In this paper,the numerical simulation method is used to study the ballistic performances of hourglass lattice sandwich structures with the same mass under the vertical incidence of fragments.Attention is paid to elucidating the influences of rod cross-section dimensions,structure height,structure layer,and rod inclination angle on the deformation mode,ballistic performances,and ability to change the ballistic direction of fragments.The results show that the ballistic performances of hourglass lattice sandwich structures are mainly affected by their structural parameters.In this respect,structural parameters optimization of the hourglass lattice sandwich structures enable one to effectively improve their ballistic limit velocity and,consequently,ballistic performances.展开更多
The adaptive FEM analysis of the temperature field of the piston in one diesel engine is given by using the ANSYS software. By making full use of the post results provided by the software, the posteriori error estimat...The adaptive FEM analysis of the temperature field of the piston in one diesel engine is given by using the ANSYS software. By making full use of the post results provided by the software, the posteriori error estimation and adaptive accuracy meshing algorithm is developed. So the blindness of the mesh design through experiences can be avoided, and the accuracy requirement is adapted to the relative temperature gradient distribution across the entire domain. Therefore the meshes and solutions can be obtained at the same time. Based on the temperature field analysis, the thermal stress and deformation fields are calculated as well. The results show that the stress concentrates on the edge of the piston pin boss and the inside surface of the first ring groove, and the deformation of the head of the piston is greatest. But the difference between the long and short axes of the bottom cross section is greatest.展开更多
The HT-7U super-conducting tokamak is a full super-conducting magnetically confined fusion device, It mainly consists of super-conducting toroidal field (TF) coils and super conducting poloidal field (PF) coils. This...The HT-7U super-conducting tokamak is a full super-conducting magnetically confined fusion device, It mainly consists of super-conducting toroidal field (TF) coils and super conducting poloidal field (PF) coils. This paper describes the distribution of magnetic field, ripple and electromagnetic loads of TF system, some results are necessary to analyze and calculate the stresses and deformation on TF system by a finite element method. Meanwhile, in this paper, the main scope of the calculation is carried out for the case of constant magnetic field on conductor of the TF coil winding in order to provide electromagnet parameters for the quench analysis of Cable-in-Conduit Conductor (CICC) of TF system in HT-7U.展开更多
A fully superconducting electron cyclotron resonance （ECR） ion source （SECRAL ID is currently being built in the Institute of Modern Physics, Chinese Academy of Sciences. Its key components are three superconductin...A fully superconducting electron cyclotron resonance （ECR） ion source （SECRAL ID is currently being built in the Institute of Modern Physics, Chinese Academy of Sciences. Its key components are three superconducting solenoids （Nb-Ti/Cu） and six superconducting sextupoles （Nb-Ti/Cu）. Different from the conventional supercon- ducting ECR magnetic structure, the SEC17AL Ⅱ includes three superconducting solenoid coils＇ that are located inside the superconducting sextupoles. The SECRAL Ⅱ can significantly reduce the interaction forces between the sextupole and the solenoids, and the magnets can also be more compact in size. For this multi-component SECRAL Ⅱ generating its self field of -8 T and being often exposed to the high self field, the mechanical analysis has become the main issue to keep their stress at 〈200 MPa on coils. The analytical and experimental results in mechanics are presented in the SECRAL Ⅱ structure. To improve the accuracy and efficiency of analysis, according to the composite rule of micromechanics, the equivalent uniform windings are used to simulate the epoxy-impregnated Nb-Ti/Cu coils. In addition, using low temperature strain gauges and a wireless fast strain acquisition system, a fundamental experiment on the based on our analysis, the stresses and deformations optimized. strains developments of a sextupole is reported. Finally, for its assembly of each SECRAL Ⅱ coil will be further展开更多
The electronic structural, effective masses of carriers, and optical properties of pure and La-doped Cd2SnO4 are calculated by using the first-principles method based on the density functional theory. Using the GGA＋U...The electronic structural, effective masses of carriers, and optical properties of pure and La-doped Cd2SnO4 are calculated by using the first-principles method based on the density functional theory. Using the GGA＋U method, we show that Cd2SnO4 is a direct band-gap semiconductor with a band gap of 2.216 eV, the band gap decreases to 2.02 eV and the Fermi energy level moves to the conduction band after La doping. The density of states of Cd2SnO4 shows that the bottom of the conduction band is composed of Cd 5s, Sn 5s, and Sn 5p orbits, the top of the valence band is composed of Cd 4d and O 2p, and the La 5d orbital is hybridized with the O 2p orbital, which plays a key role at the conduction band bottom after La doping. The effective masses at the conduction band bottom of pure and La-doped Cd2SnO4 are 0.18m0 and 0.092m0, respectively, which indicates that the electrical conductivity of Cd2SnO4 after La doping is improved. The calculated optical properties show that the optical transmittance of La-doped Cd2SnO4 is 92%, the optical absorption edge is slightly blue shifted, and the optical band gap is increased to 3.263 eV. All the results indicate that the conductivity and optical transmittance of Cd2SnO4 can be improved by doping La.展开更多
The local structure of an alternative Pb（Zn1/3Nb2/3）O3-based perovskite ceramic is investigated. The 0.07BaTiO33-0.93Pb（Zn1/3Nb2/3）O3 ceramic is synthesized using a combination of Zn3Nb2O8 B-site precursor and BaT...The local structure of an alternative Pb（Zn1/3Nb2/3）O3-based perovskite ceramic is investigated. The 0.07BaTiO33-0.93Pb（Zn1/3Nb2/3）O3 ceramic is synthesized using a combination of Zn3Nb2O8 B-site precursor and BaTiO33 perovskite phase stabilizer. Then, x-ray absorption spectroscopy and density functional theory are employed to calculate the local structure configuration and formation energy of the prepared samples. Ba2＋ is found to replace Pb2＋ in AA-site with Zn2＋ occupying BB-site in Pb（Zn1/3Nb2/3）O3, while in the neighboring structure, Ti4＋4＋ replaces Nb5＋5＋ in BB-site with Pb2＋2＋ occupying AA-site. With the substitution of BaTiO33 in Pb（Zn1/3Nb2/3）O3, the bond length between Zn2＋ and Pb2＋ is longer than that of the typical perovskite phase of Pb（Zn1/3Nb2/3）O3. This indicates the key role of BaTiO33 in decreasing the steric hindrance of Pb2＋ lone pair, and the mutual interactions between Pb2＋ lone pair and Zn2＋ and the formation energy is seen to decrease. This finding of the formation energy and local structure configuration relationship can further extend a fundamental understanding of the role of BaTiO33 in stabilizing the perovskite phase in PbZn13Nb23O3-based materials, which in turn will lead to an improved preparation technique for desired electrical properties.展开更多
The structure and energy of the carbonium ions formed upon protonation of butane were studied by the DFT methods. Four stable structures are identified for the protonated form of n-butane, the energy increases in the ...The structure and energy of the carbonium ions formed upon protonation of butane were studied by the DFT methods. Four stable structures are identified for the protonated form of n-butane, the energy increases in the following order： C2HC3〈C1HC2〈C2HH〈C1HH, and the stability decreases in the following order C2HC3〉C1HC2〉C2HH〉C1HH. The stability of the penta-coordinated carbonium ions may be explained by the electron distribution in the three-center-two-electron bonds. The delocalization of the penta-coordinated carbonium ion CHC with three-center-two-electron bonds on positive charges was stronger than that of the penta-coordinated earbonium ion CHH with three-center-two-electron bonds and its stability was higher than that of the penta-coordinated carbonium ion CHH with three-center-two-electron bonds.展开更多
Plant-based fermentations provide an untapped source for novel biotechnological applications.In this study,a probiotic named Lactobacillus fermentum 21828 was introduced to ferment Lentinus edodes.Polysaccharides were...Plant-based fermentations provide an untapped source for novel biotechnological applications.In this study,a probiotic named Lactobacillus fermentum 21828 was introduced to ferment Lentinus edodes.Polysaccharides were extracted from fermented and non-fermented L.edodes and purified via DEAE-52 and Sephadex G-100.The components designated F-LEP-2a and NF-LEP-2a were analyzed by FT-IR,HPGPC,HPAEC,SEM,GC-MS and NMR.The results revealed that probiotic fermentation increased the molecular weight from 1.16×10^(4) Da to 1.87×10^(4) Da and altered the proportions of glucose,galactose and mannose,in which glucose increased from 45.94%to 48.16%.Methylation analysis and NMR spectra indicated that F-LEP-2a and NF-LEP-2a had similar linkage patterns.Furthermore,their immunomodulatory activities were evaluated with immunosuppressive mice.NF-LEP and F-LEP improved immune organ indices,immunoglobulin(Ig G and Ig M)and cytokines concentrations;restored the antioxidation capacity of liver;and maintained the balance of gut microbiota.F-LEP displayed better moderating effects on the spleen index,immunoglobulin,cytokines and the diversity of gut microbiota than NF-LEP(200,400 mg/kg).Our study provides an efficient and environment-friendly way for the structural modification of polysaccharides,which helps to enhance their biological activity and promote their wide application in food,medicine and other fields.展开更多
Long-term responses of floating structures pose a great concern in their design phase. Existing approaches for addressing long-term extreme responses are extremely cumbersome for adoption. This work aims to develop an...Long-term responses of floating structures pose a great concern in their design phase. Existing approaches for addressing long-term extreme responses are extremely cumbersome for adoption. This work aims to develop an approach for the long-term extreme-response analysis of floating structures. A modified gradient-based retrieval algorithm in conjunction with the inverse first-order reliability method(IFORM) is proposed to enable the use of convolution models in long-term extreme analysis of structures with an analytical formula of response amplitude operator(RAO). The proposed algorithm ensures convergence stability and iteration accuracy and exhibits a higher computational efficiency than the traditional backtracking method. However, when the RAO of general offshore structures cannot be analytically expressed, the convolutional integration method fails to function properly. A numerical discretization approach is further proposed for offshore structures in the case when the analytical expression of the RAO is not feasible. Through iterative discretization of environmental contours(ECs) and RAOs, a detailed procedure is proposed to calculate the long-term response extremes of offshore structures. The validity and accuracy of the proposed approach are tested using a floating offshore wind turbine as a numerical example. The long-term extreme heave responses of various return periods are calculated via the IFORM in conjunction with a numerical discretization approach. The environmental data corresponding to N-year structural responses are located inside the ECs, which indicates that the selection of design points directly along the ECs yields conservative design results.展开更多
Fractal theory offers a powerful tool for the precise description and quantification of the complex pore structures in reservoir rocks,crucial for understanding the storage and migration characteristics of media withi...Fractal theory offers a powerful tool for the precise description and quantification of the complex pore structures in reservoir rocks,crucial for understanding the storage and migration characteristics of media within these rocks.Faced with the challenge of calculating the three-dimensional fractal dimensions of rock porosity,this study proposes an innovative computational process that directly calculates the three-dimensional fractal dimensions from a geometric perspective.By employing a composite denoising approach that integrates Fourier transform(FT)and wavelet transform(WT),coupled with multimodal pore extraction techniques such as threshold segmentation,top-hat transformation,and membrane enhancement,we successfully crafted accurate digital rock models.The improved box-counting method was then applied to analyze the voxel data of these digital rocks,accurately calculating the fractal dimensions of the rock pore distribution.Further numerical simulations of permeability experiments were conducted to explore the physical correlations between the rock pore fractal dimensions,porosity,and absolute permeability.The results reveal that rocks with higher fractal dimensions exhibit more complex pore connectivity pathways and a wider,more uneven pore distribution,suggesting that the ideal rock samples should possess lower fractal dimensions and higher effective porosity rates to achieve optimal fluid transmission properties.The methodology and conclusions of this study provide new tools and insights for the quantitative analysis of complex pores in rocks and contribute to the exploration of the fractal transport properties of media within rocks.展开更多
Under the condition of steady state, the pressure drop of coolant is mainly caused by friction along the cable. In the CICC (cable-in-conduit-conductor), helium flow within the conductor consists of two parallel inter...Under the condition of steady state, the pressure drop of coolant is mainly caused by friction along the cable. In the CICC (cable-in-conduit-conductor), helium flow within the conductor consists of two parallel interconnected tubes. The velocity distribution has some differece between the central channel and conductor space. The region of Reynolds number is from 103 to 106. This paper describes the calculation of pressure drop of HT-7U CICC at various mass flows. It is assumed that the coolant flows in two parallel, rough tubes during the calculation.展开更多
In this work,the coal samples from Hongshiwan(HSW)mining area,Ningxia,northwest of China,are characterized by using several modern materials characterization techniques,such as proximate and ultimate analyses,solid st...In this work,the coal samples from Hongshiwan(HSW)mining area,Ningxia,northwest of China,are characterized by using several modern materials characterization techniques,such as proximate and ultimate analyses,solid state 13C nuclear magnetic resonance(13C NMR),X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy(FT-IR).Then the key information about elements,valence,and chemical bonding for coal molecular structural construction is obtained.The results reveal that the main structure of HSW coal has 75.96%aromatic skeleton in mass.The ratio of aromatic bridge carbon to aromatic peripheral carbon of HSW coal is 0.315,indicating more naphthalene than benzene and anthracene in coal structures.Oxygen predominantly presents in the forms of ether(C–O),carbonyl(C=O)and carboxyl(–COO).Nitrogen presents in the forms of both pyridine and pyrrole.Methyl(–CH_(3))group is predominant in cyclic and aliphatic hydrocarbons.Based on obtained structural information and the approaches of average molecular structure,the single molecular formula of HSW coal is defined as C_(221)H_(148)O_(28)N_(2),with a molecular weight of 3142.32.Also,the 2D and 3D molecular model of HSW coal are built with computeraided modeling.The model is optimized and further verified by FT-IR and^(13)C NMR spectra simulation with quantum chemical calculations.Besides,a more complicated structure of complex model for HSW coal containing 10 single-molecules is also obtained.Therefore,molecular structure of HSW coal has been comprehensively depicted and understood at atomic level from both experimental and quantum chemical approaches in the current work.展开更多
Landscape structure is often regarded as an important factor that governs the distribution and abundance of species. Therefore it is critical to understand the landscapes and their dynamics. Patterns of landscape elem...Landscape structure is often regarded as an important factor that governs the distribution and abundance of species. Therefore it is critical to understand the landscapes and their dynamics. Patterns of landscape elements strongly influence the ecological characteristics. This study was designed to document and map the current status of the tropi-cal dry deciduous forest of the Tadoba-Andhari Tiger Reserve （TATR）, Central India, （using IRS P6 LISS IV data） and to describe its landscape structure at three levels of organization viz. landscape, class, and patch. The study area was classified into 10 land cover classes that include 6 vegetation classes. The landscape structure was analyzed using FRAG-STATS using 12 set of indices. The TATR landscapes have a total of 2,307 patches with a mean patch size of 25.67 ha and patch density of 1.7 patches per km2. Amongst all land cover classes, mixed bamboo forest is dominant-it occupied maximum area （77.99%）-while riparian forest is least represented （0.32%）. Mixed forest has maximum number of patches among all vegetation classes. Results have shown that despite being dominant in the area, mixed bamboo forest has low patch density （0.25/100 ha）. Dominance of mixed bamboo forest is attributed to large patch sizes and not to the number of patches. This study has focussed on the approach of integrating satellite forest classification and forest inven-tory data for studying forest landscape patterns.展开更多
The possibilities of hexagonal boron nitride(hBN) and lithium boron nitride(Li_3BN_2) transition into cubic boron nitride(cBN) under synthetic pressure 5.0 GPa and synthetic temperature 1700 K are analyzed with the us...The possibilities of hexagonal boron nitride(hBN) and lithium boron nitride(Li_3BN_2) transition into cubic boron nitride(cBN) under synthetic pressure 5.0 GPa and synthetic temperature 1700 K are analyzed with the use of the empirical electron theory of solids and molecules. The relative differences in electron density are calculated for dozens of bi-phase interfaces hBN/cBN, Li_3BN_2/cBN. These relative differences of hBN/cBN are in good agreement with the first order of approximation(<10%), while those of Li_3BN_2/cBN are much greater than 10%.This analysis suggests that Li_3BN_2 is impossible to be intermediate phase but is a catalyst and cBN should be directly transformed by hBN.展开更多
Oil and gas exploration and production is the most important and key segment in the whole business chain of the petroleum industry.Therefore,oil companies always put much emphasis on making scientific and reasonable d...Oil and gas exploration and production is the most important and key segment in the whole business chain of the petroleum industry.Therefore,oil companies always put much emphasis on making scientific and reasonable decisions about investment scale and structure in the upstream sector,so that they can minimise business risks and obtain high returns.According to the system dynamics theories and methods and based on the actual results from an oil company＇s practice in China,a system dynamics model is built in this paper for analyzing and forecasting the upstream investment scale and structure for an oil company.This model was used to analyze the investment effect of a large oil company in China, and the results showed that the total upstream investment scale will decline slowly in a short period and the investment proportion of different parts should be adjusted if some influencing factors are taken into account.This application practice was compared with the actual data and indicated that the system dynamics（SD） model presented in this paper is a useful tool for analyzing and forecasting of upstream investment scale and structure of oil companies in their investment decisions.展开更多
Understanding population structure provides basic ecological data related to species and ecosystems.Our objective was to understand the mechanisms involved in the maintenance of Quercus aquifolioides populations.Using...Understanding population structure provides basic ecological data related to species and ecosystems.Our objective was to understand the mechanisms involved in the maintenance of Quercus aquifolioides populations.Using a 1 ha permanent sample plot data for Q.aquifolioides on Sejila Mountain,Tibet Autonomous Region(Tibet),China,we analyzed the population structure of Q.aquifolioides by combining data for diameter class,static life table and survival curve.Simultaneously,the spatial distribution of Q.aquifolioides was studied using Ripley’s L Function in point pattern analysis.The results showed:(1) Individuals in Q.aquifolioides populations were mainly aggregated in the youngest age classes,that accounted for94.3% of the individuals; the older age classes had much smaller populations.Although the youngest age classes(ClassesⅠ and Ⅱ) had fewer individuals than Class Ⅲ,the total number of individuals in classes Ⅰ and Ⅱ was also greater than in classes Ⅳ to Ⅸ.In terms of tree height,fewsaplings,more medium-sized saplings and few large-sized trees were found.The diameter class structure of Q.aquifolioides populations formed an atypical ‘pyramid’type; the population was expanding,but growth was limited,tending toward a stable population.(2) Mortality of Q.aquifolioides increased continuously with age; life expectancy decreased over time,and the survivorship curve was close to a Deevey I curve.(3) The spatial distribution pattern of Q.aquifolioides varied widely across different developmental stages.Saplings and medium-sized tree showed aggregated distributions at the scales of 0–33 m and 0–29 m,respectively.The aggregation intensities of saplings and medium-sized trees at small scales were significantly stronger than that of large-sized trees.However,large-sized trees showed a random distribution at most scales.(4) No correlation was observed among saplings,medium-and large-sized trees at small scales,while a significant and negative association was observed as the scale increased.Strong competition was found among saplings,medium-and large-sized trees,while no significant association was observed between medium-and largesized trees at all scales.Biotic interactions and local ecological characteristics influenced the spatial distribution pattern of Q.aquifolioides populations most strongly.展开更多
Heterostructures(HSs)have attracted significant attention because of their interlayer van der Waals interactions.The electronic structures and optical properties of stacked GaN-MoS2 HSs under strain have been explored...Heterostructures(HSs)have attracted significant attention because of their interlayer van der Waals interactions.The electronic structures and optical properties of stacked GaN-MoS2 HSs under strain have been explored in this work using density functional theory.The results indicate that the direct band gap(1.95 e V)of the Ga N-MoS2 HS is lower than the individual band gaps of both the GaN layer(3.48 e V)and the MoS2 layer(2.03 eV)based on HSE06 hybrid functional calculations.Specifically,the GaN-MoS2 HS is a typical type-II band HS semiconductor that provides an effective approach to enhance the charge separation efficiency for improved photocatalytic degradation activity and water splitting efficiency.Under tensile or compressive strain,the direct band gap of the GaN-MoS2 HS undergoes redshifts.Additionally,the GaN-MoS2 HS maintains its direct band gap semiconductor behavior even when the tensile or compressive strain reaches 5%or-5%.Therefore,the results reported above can be used to expand the application of Ga N-MoS2 HSs to photovoltaic cells and photocatalysts.展开更多
基金Project supported by the National Key R&D Program of China(Grant Nos.2022YFA1402503,2023YFA1406200,2023YFB3003001)the National Natural Science Foundation of China(Grant Nos.12074138 and 12047530)+2 种基金the Interdisciplinary Integration and Innovation Project of JLUFundamental Research Funds for the Central Universitiesthe Program for JLU Science and Technology Innovative Research Team(JLUSTIRT)。
文摘High-mobility semiconductor nanotubes have demonstrated great potential for applications in high-speed transistors,single-charge detection,and memory devices.Here we systematically investigated the electronic properties of single-walled boron antimonide(BSb)nanotubes using first-principles calculations.We observed that rolling the hexagonal boron antimonide monolayer into armchair(ANT)and zigzag(ZNT)nanotubes induces compression and wrinkling effects,significantly modifying the band structures and carrier mobilities through band folding andπ^(*)-σ^(*)hybridization.As the chiral index increases,the band gap and carrier mobility of ANTs decrease monotonically,where electron mobility consistently exceeds hole mobility.In contrast,ZNTs exhibit a more complex trend:the band gap first increases and then decreases,and the carrier mobility displays oscillatory behavior.In particular,both ANTs and ZNTs could exhibit significantly higher carrier mobilities compared to hexagonal monolayer and zinc-blende BSb,reaching 10^(-3)-10^(-7) cm^(-2)·V^(-1)·s^(-1).Our findings highlight strong curvature-induced modifications in the electronic properties of single-walled BSb nanotubes,demonstrating the latter as a promising candidate for high-performance electronic devices.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11965005 and 11964026)the Natural Science Basic Research Plan in Shaanxi Province,China(Grant Nos.2023-JC-YB-021 and 2022JM-035)+1 种基金the Fundamental Research Funds for the Central Universitiesthe 111 Project(Grant No.B17035)。
文摘Novel ordered intermetallic compounds have stimulated much interest.Ru–Al alloys are a prominent class of hightemperature structural materials,but the experimentally reported crystal structure of the intermetallic Ru_(2)Al_(5) phase remains elusive and debatable.To resolve this controversy,we extensively explored the crystal structures of Ru_(2)Al_(5) using first-principles calculations combined with crystal structure prediction technique.Among the calculated x-ray diffraction patterns and lattice parameters of five candidate Ru2Al5structures,those of the orthorhombic Pmmn structure best aligned with recent experimental results.The structural stabilities of the five Ru_(2)Al_(5)structures were confirmed through formation energy,elastic constants,and phonon spectrum calculations.We also comprehensively analyzed the mechanical and electronic properties of the five candidates.This work can guide the exploration of novel ordered intermetallic compounds in Ru–Al alloys.
基金financially supported by the National Natural Science Foundation of China (51904319)the Fundamental Research Funds for the Central Universities (21CX06029A)。
文摘The cyclic hydraulic stimulation(CHS) has proven as a prospective technology for enhancing the permeability of unconventional formations such as coalbeds. However, the effects of CHS on the microstructure and gas sorption behavior of coal remain unclear. In this study, laboratory tests including the nuclear magnetic resonance(NMR), low-temperature nitrogen sorption(LTNS), and methane sorption isotherm measurement were conducted to explore changes in the pore structure and methane sorption characteristics caused by CHS on an anthracite coal from Qinshui Basin, China. The NMR and LTNS tests show that after CHS treatment, meso- and macro-pores tend to be enlarged, whereas micropores with larger sizes and transition-pores may be converted into smaller-sized micro-pores. After the coal samples treated with 1, 3, 5 and 7 hydraulic stimulation cycles, the total specific surface area(TSSA)decreased from 0.636 to 0.538, 0.516, 0.505, and 0.491 m^(2)/g, respectively. Fractal analysis based on the NMR and LTNS results show that the surface fractal dimensions increase with the increase in the number of hydraulic stimulation cycles, while the volume fractal dimensions exhibit an opposite trend to the surface fractal dimensions, indicating that the pore surface roughness and pore structure connectivity are both increased after CHS treatment. Methane sorption isothermal measurements show that both the Langmuir volume and Langmuir pressure decrease significantly with the increase in the number of hydraulic stimulation cycles. The Langmuir volume and the Langmuir pressure decrease from 33.47 cm^(3)/g and 0.205 MPa to 24.18 cm^(3)/g and 0.176 MPa after the coal samples treated with 7 hydraulic stimulation cycles, respectively. The increments of Langmuir volume and Langmuir pressure are positively correlated with the increment of TSSA and negatively correlated with the increments of surface fractal dimensions.
基金supported by the Defense Industrial Technology Development Program(Grant No.JCKY2018604B004)the National Natural Science Foundation of China(Grant No.11972007)。
文摘In this paper,the numerical simulation method is used to study the ballistic performances of hourglass lattice sandwich structures with the same mass under the vertical incidence of fragments.Attention is paid to elucidating the influences of rod cross-section dimensions,structure height,structure layer,and rod inclination angle on the deformation mode,ballistic performances,and ability to change the ballistic direction of fragments.The results show that the ballistic performances of hourglass lattice sandwich structures are mainly affected by their structural parameters.In this respect,structural parameters optimization of the hourglass lattice sandwich structures enable one to effectively improve their ballistic limit velocity and,consequently,ballistic performances.
文摘The adaptive FEM analysis of the temperature field of the piston in one diesel engine is given by using the ANSYS software. By making full use of the post results provided by the software, the posteriori error estimation and adaptive accuracy meshing algorithm is developed. So the blindness of the mesh design through experiences can be avoided, and the accuracy requirement is adapted to the relative temperature gradient distribution across the entire domain. Therefore the meshes and solutions can be obtained at the same time. Based on the temperature field analysis, the thermal stress and deformation fields are calculated as well. The results show that the stress concentrates on the edge of the piston pin boss and the inside surface of the first ring groove, and the deformation of the head of the piston is greatest. But the difference between the long and short axes of the bottom cross section is greatest.
文摘The HT-7U super-conducting tokamak is a full super-conducting magnetically confined fusion device, It mainly consists of super-conducting toroidal field (TF) coils and super conducting poloidal field (PF) coils. This paper describes the distribution of magnetic field, ripple and electromagnetic loads of TF system, some results are necessary to analyze and calculate the stresses and deformation on TF system by a finite element method. Meanwhile, in this paper, the main scope of the calculation is carried out for the case of constant magnetic field on conductor of the TF coil winding in order to provide electromagnet parameters for the quench analysis of Cable-in-Conduit Conductor (CICC) of TF system in HT-7U.
基金Supported by the National Natural Science Foundation of China under Grant No 11302225the China Postdoctoral Science Foundation under Grant Nos 2014M560820 and 2015T81071
文摘A fully superconducting electron cyclotron resonance （ECR） ion source （SECRAL ID is currently being built in the Institute of Modern Physics, Chinese Academy of Sciences. Its key components are three superconducting solenoids （Nb-Ti/Cu） and six superconducting sextupoles （Nb-Ti/Cu）. Different from the conventional supercon- ducting ECR magnetic structure, the SEC17AL Ⅱ includes three superconducting solenoid coils＇ that are located inside the superconducting sextupoles. The SECRAL Ⅱ can significantly reduce the interaction forces between the sextupole and the solenoids, and the magnets can also be more compact in size. For this multi-component SECRAL Ⅱ generating its self field of -8 T and being often exposed to the high self field, the mechanical analysis has become the main issue to keep their stress at 〈200 MPa on coils. The analytical and experimental results in mechanics are presented in the SECRAL Ⅱ structure. To improve the accuracy and efficiency of analysis, according to the composite rule of micromechanics, the equivalent uniform windings are used to simulate the epoxy-impregnated Nb-Ti/Cu coils. In addition, using low temperature strain gauges and a wireless fast strain acquisition system, a fundamental experiment on the based on our analysis, the stresses and deformations optimized. strains developments of a sextupole is reported. Finally, for its assembly of each SECRAL Ⅱ coil will be further
文摘The electronic structural, effective masses of carriers, and optical properties of pure and La-doped Cd2SnO4 are calculated by using the first-principles method based on the density functional theory. Using the GGA＋U method, we show that Cd2SnO4 is a direct band-gap semiconductor with a band gap of 2.216 eV, the band gap decreases to 2.02 eV and the Fermi energy level moves to the conduction band after La doping. The density of states of Cd2SnO4 shows that the bottom of the conduction band is composed of Cd 5s, Sn 5s, and Sn 5p orbits, the top of the valence band is composed of Cd 4d and O 2p, and the La 5d orbital is hybridized with the O 2p orbital, which plays a key role at the conduction band bottom after La doping. The effective masses at the conduction band bottom of pure and La-doped Cd2SnO4 are 0.18m0 and 0.092m0, respectively, which indicates that the electrical conductivity of Cd2SnO4 after La doping is improved. The calculated optical properties show that the optical transmittance of La-doped Cd2SnO4 is 92%, the optical absorption edge is slightly blue shifted, and the optical band gap is increased to 3.263 eV. All the results indicate that the conductivity and optical transmittance of Cd2SnO4 can be improved by doping La.
基金Supported by the Thailand Research Fund under Grant No TRG5880097
文摘The local structure of an alternative Pb（Zn1/3Nb2/3）O3-based perovskite ceramic is investigated. The 0.07BaTiO33-0.93Pb（Zn1/3Nb2/3）O3 ceramic is synthesized using a combination of Zn3Nb2O8 B-site precursor and BaTiO33 perovskite phase stabilizer. Then, x-ray absorption spectroscopy and density functional theory are employed to calculate the local structure configuration and formation energy of the prepared samples. Ba2＋ is found to replace Pb2＋ in AA-site with Zn2＋ occupying BB-site in Pb（Zn1/3Nb2/3）O3, while in the neighboring structure, Ti4＋4＋ replaces Nb5＋5＋ in BB-site with Pb2＋2＋ occupying AA-site. With the substitution of BaTiO33 in Pb（Zn1/3Nb2/3）O3, the bond length between Zn2＋ and Pb2＋ is longer than that of the typical perovskite phase of Pb（Zn1/3Nb2/3）O3. This indicates the key role of BaTiO33 in decreasing the steric hindrance of Pb2＋ lone pair, and the mutual interactions between Pb2＋ lone pair and Zn2＋ and the formation energy is seen to decrease. This finding of the formation energy and local structure configuration relationship can further extend a fundamental understanding of the role of BaTiO33 in stabilizing the perovskite phase in PbZn13Nb23O3-based materials, which in turn will lead to an improved preparation technique for desired electrical properties.
文摘The structure and energy of the carbonium ions formed upon protonation of butane were studied by the DFT methods. Four stable structures are identified for the protonated form of n-butane, the energy increases in the following order： C2HC3〈C1HC2〈C2HH〈C1HH, and the stability decreases in the following order C2HC3〉C1HC2〉C2HH〉C1HH. The stability of the penta-coordinated carbonium ions may be explained by the electron distribution in the three-center-two-electron bonds. The delocalization of the penta-coordinated carbonium ion CHC with three-center-two-electron bonds on positive charges was stronger than that of the penta-coordinated earbonium ion CHH with three-center-two-electron bonds and its stability was higher than that of the penta-coordinated carbonium ion CHH with three-center-two-electron bonds.
基金supported by grants from the National Key R&D Program of China(2019YFC1606701)。
文摘Plant-based fermentations provide an untapped source for novel biotechnological applications.In this study,a probiotic named Lactobacillus fermentum 21828 was introduced to ferment Lentinus edodes.Polysaccharides were extracted from fermented and non-fermented L.edodes and purified via DEAE-52 and Sephadex G-100.The components designated F-LEP-2a and NF-LEP-2a were analyzed by FT-IR,HPGPC,HPAEC,SEM,GC-MS and NMR.The results revealed that probiotic fermentation increased the molecular weight from 1.16×10^(4) Da to 1.87×10^(4) Da and altered the proportions of glucose,galactose and mannose,in which glucose increased from 45.94%to 48.16%.Methylation analysis and NMR spectra indicated that F-LEP-2a and NF-LEP-2a had similar linkage patterns.Furthermore,their immunomodulatory activities were evaluated with immunosuppressive mice.NF-LEP and F-LEP improved immune organ indices,immunoglobulin(Ig G and Ig M)and cytokines concentrations;restored the antioxidation capacity of liver;and maintained the balance of gut microbiota.F-LEP displayed better moderating effects on the spleen index,immunoglobulin,cytokines and the diversity of gut microbiota than NF-LEP(200,400 mg/kg).Our study provides an efficient and environment-friendly way for the structural modification of polysaccharides,which helps to enhance their biological activity and promote their wide application in food,medicine and other fields.
基金Supported by the National Natural Science Foundation of China (Grant Nos.52088102 and 51879287)National Key Research and Development Program of China (Grant No.2022YFB2602301)。
文摘Long-term responses of floating structures pose a great concern in their design phase. Existing approaches for addressing long-term extreme responses are extremely cumbersome for adoption. This work aims to develop an approach for the long-term extreme-response analysis of floating structures. A modified gradient-based retrieval algorithm in conjunction with the inverse first-order reliability method(IFORM) is proposed to enable the use of convolution models in long-term extreme analysis of structures with an analytical formula of response amplitude operator(RAO). The proposed algorithm ensures convergence stability and iteration accuracy and exhibits a higher computational efficiency than the traditional backtracking method. However, when the RAO of general offshore structures cannot be analytically expressed, the convolutional integration method fails to function properly. A numerical discretization approach is further proposed for offshore structures in the case when the analytical expression of the RAO is not feasible. Through iterative discretization of environmental contours(ECs) and RAOs, a detailed procedure is proposed to calculate the long-term response extremes of offshore structures. The validity and accuracy of the proposed approach are tested using a floating offshore wind turbine as a numerical example. The long-term extreme heave responses of various return periods are calculated via the IFORM in conjunction with a numerical discretization approach. The environmental data corresponding to N-year structural responses are located inside the ECs, which indicates that the selection of design points directly along the ECs yields conservative design results.
基金supported by the National Natural Science Foundation of China (Nos.52374078 and 52074043)the Fundamental Research Funds for the Central Universities (No.2023CDJKYJH021)。
文摘Fractal theory offers a powerful tool for the precise description and quantification of the complex pore structures in reservoir rocks,crucial for understanding the storage and migration characteristics of media within these rocks.Faced with the challenge of calculating the three-dimensional fractal dimensions of rock porosity,this study proposes an innovative computational process that directly calculates the three-dimensional fractal dimensions from a geometric perspective.By employing a composite denoising approach that integrates Fourier transform(FT)and wavelet transform(WT),coupled with multimodal pore extraction techniques such as threshold segmentation,top-hat transformation,and membrane enhancement,we successfully crafted accurate digital rock models.The improved box-counting method was then applied to analyze the voxel data of these digital rocks,accurately calculating the fractal dimensions of the rock pore distribution.Further numerical simulations of permeability experiments were conducted to explore the physical correlations between the rock pore fractal dimensions,porosity,and absolute permeability.The results reveal that rocks with higher fractal dimensions exhibit more complex pore connectivity pathways and a wider,more uneven pore distribution,suggesting that the ideal rock samples should possess lower fractal dimensions and higher effective porosity rates to achieve optimal fluid transmission properties.The methodology and conclusions of this study provide new tools and insights for the quantitative analysis of complex pores in rocks and contribute to the exploration of the fractal transport properties of media within rocks.
基金This work was supported by the National Meg-science Engineering Project of the Chinese Government.
文摘Under the condition of steady state, the pressure drop of coolant is mainly caused by friction along the cable. In the CICC (cable-in-conduit-conductor), helium flow within the conductor consists of two parallel interconnected tubes. The velocity distribution has some differece between the central channel and conductor space. The region of Reynolds number is from 103 to 106. This paper describes the calculation of pressure drop of HT-7U CICC at various mass flows. It is assumed that the coolant flows in two parallel, rough tubes during the calculation.
基金by Ningxia Higher Educational Program for Excellent Youth(No.NGY2016064).H.Bai also thanks the financial supports from Key R&D Projects of Ningxia(No.2018BCE01002)National Academic Subjects Construction Project of Ningxia(Chemical Engineering and Technology,NXYLXK2017A04).
文摘In this work,the coal samples from Hongshiwan(HSW)mining area,Ningxia,northwest of China,are characterized by using several modern materials characterization techniques,such as proximate and ultimate analyses,solid state 13C nuclear magnetic resonance(13C NMR),X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy(FT-IR).Then the key information about elements,valence,and chemical bonding for coal molecular structural construction is obtained.The results reveal that the main structure of HSW coal has 75.96%aromatic skeleton in mass.The ratio of aromatic bridge carbon to aromatic peripheral carbon of HSW coal is 0.315,indicating more naphthalene than benzene and anthracene in coal structures.Oxygen predominantly presents in the forms of ether(C–O),carbonyl(C=O)and carboxyl(–COO).Nitrogen presents in the forms of both pyridine and pyrrole.Methyl(–CH_(3))group is predominant in cyclic and aliphatic hydrocarbons.Based on obtained structural information and the approaches of average molecular structure,the single molecular formula of HSW coal is defined as C_(221)H_(148)O_(28)N_(2),with a molecular weight of 3142.32.Also,the 2D and 3D molecular model of HSW coal are built with computeraided modeling.The model is optimized and further verified by FT-IR and^(13)C NMR spectra simulation with quantum chemical calculations.Besides,a more complicated structure of complex model for HSW coal containing 10 single-molecules is also obtained.Therefore,molecular structure of HSW coal has been comprehensively depicted and understood at atomic level from both experimental and quantum chemical approaches in the current work.
基金National Natural Resource Management System(NNRMS)and Ministry of Environment and Forests(MoEF),Government of India for funding the project"Mapping of National Parks and Wildlife Sanctuaries"
文摘Landscape structure is often regarded as an important factor that governs the distribution and abundance of species. Therefore it is critical to understand the landscapes and their dynamics. Patterns of landscape elements strongly influence the ecological characteristics. This study was designed to document and map the current status of the tropi-cal dry deciduous forest of the Tadoba-Andhari Tiger Reserve （TATR）, Central India, （using IRS P6 LISS IV data） and to describe its landscape structure at three levels of organization viz. landscape, class, and patch. The study area was classified into 10 land cover classes that include 6 vegetation classes. The landscape structure was analyzed using FRAG-STATS using 12 set of indices. The TATR landscapes have a total of 2,307 patches with a mean patch size of 25.67 ha and patch density of 1.7 patches per km2. Amongst all land cover classes, mixed bamboo forest is dominant-it occupied maximum area （77.99%）-while riparian forest is least represented （0.32%）. Mixed forest has maximum number of patches among all vegetation classes. Results have shown that despite being dominant in the area, mixed bamboo forest has low patch density （0.25/100 ha）. Dominance of mixed bamboo forest is attributed to large patch sizes and not to the number of patches. This study has focussed on the approach of integrating satellite forest classification and forest inven-tory data for studying forest landscape patterns.
基金Supported by the National Natural Science Foundation of China under Grant No 51272139
文摘The possibilities of hexagonal boron nitride(hBN) and lithium boron nitride(Li_3BN_2) transition into cubic boron nitride(cBN) under synthetic pressure 5.0 GPa and synthetic temperature 1700 K are analyzed with the use of the empirical electron theory of solids and molecules. The relative differences in electron density are calculated for dozens of bi-phase interfaces hBN/cBN, Li_3BN_2/cBN. These relative differences of hBN/cBN are in good agreement with the first order of approximation(<10%), while those of Li_3BN_2/cBN are much greater than 10%.This analysis suggests that Li_3BN_2 is impossible to be intermediate phase but is a catalyst and cBN should be directly transformed by hBN.
文摘Oil and gas exploration and production is the most important and key segment in the whole business chain of the petroleum industry.Therefore,oil companies always put much emphasis on making scientific and reasonable decisions about investment scale and structure in the upstream sector,so that they can minimise business risks and obtain high returns.According to the system dynamics theories and methods and based on the actual results from an oil company＇s practice in China,a system dynamics model is built in this paper for analyzing and forecasting the upstream investment scale and structure for an oil company.This model was used to analyze the investment effect of a large oil company in China, and the results showed that the total upstream investment scale will decline slowly in a short period and the investment proportion of different parts should be adjusted if some influencing factors are taken into account.This application practice was compared with the actual data and indicated that the system dynamics（SD） model presented in this paper is a useful tool for analyzing and forecasting of upstream investment scale and structure of oil companies in their investment decisions.
基金financially supported by the National Key Technology Support Program(Grant No.2013BAC04B01)the National Natural Science Foundation of China(Grant No.31460200)
文摘Understanding population structure provides basic ecological data related to species and ecosystems.Our objective was to understand the mechanisms involved in the maintenance of Quercus aquifolioides populations.Using a 1 ha permanent sample plot data for Q.aquifolioides on Sejila Mountain,Tibet Autonomous Region(Tibet),China,we analyzed the population structure of Q.aquifolioides by combining data for diameter class,static life table and survival curve.Simultaneously,the spatial distribution of Q.aquifolioides was studied using Ripley’s L Function in point pattern analysis.The results showed:(1) Individuals in Q.aquifolioides populations were mainly aggregated in the youngest age classes,that accounted for94.3% of the individuals; the older age classes had much smaller populations.Although the youngest age classes(ClassesⅠ and Ⅱ) had fewer individuals than Class Ⅲ,the total number of individuals in classes Ⅰ and Ⅱ was also greater than in classes Ⅳ to Ⅸ.In terms of tree height,fewsaplings,more medium-sized saplings and few large-sized trees were found.The diameter class structure of Q.aquifolioides populations formed an atypical ‘pyramid’type; the population was expanding,but growth was limited,tending toward a stable population.(2) Mortality of Q.aquifolioides increased continuously with age; life expectancy decreased over time,and the survivorship curve was close to a Deevey I curve.(3) The spatial distribution pattern of Q.aquifolioides varied widely across different developmental stages.Saplings and medium-sized tree showed aggregated distributions at the scales of 0–33 m and 0–29 m,respectively.The aggregation intensities of saplings and medium-sized trees at small scales were significantly stronger than that of large-sized trees.However,large-sized trees showed a random distribution at most scales.(4) No correlation was observed among saplings,medium-and large-sized trees at small scales,while a significant and negative association was observed as the scale increased.Strong competition was found among saplings,medium-and large-sized trees,while no significant association was observed between medium-and largesized trees at all scales.Biotic interactions and local ecological characteristics influenced the spatial distribution pattern of Q.aquifolioides populations most strongly.
基金Project supported by the National Natural Science Foundation of China(Grant No.11864011)the Hubei Provincial Natural Science Foundation of China(Grant No.2018CFB390)the Doctoral Fund Project of Hubei Minzu University,China(Grant No.MY2017B015)
文摘Heterostructures(HSs)have attracted significant attention because of their interlayer van der Waals interactions.The electronic structures and optical properties of stacked GaN-MoS2 HSs under strain have been explored in this work using density functional theory.The results indicate that the direct band gap(1.95 e V)of the Ga N-MoS2 HS is lower than the individual band gaps of both the GaN layer(3.48 e V)and the MoS2 layer(2.03 eV)based on HSE06 hybrid functional calculations.Specifically,the GaN-MoS2 HS is a typical type-II band HS semiconductor that provides an effective approach to enhance the charge separation efficiency for improved photocatalytic degradation activity and water splitting efficiency.Under tensile or compressive strain,the direct band gap of the GaN-MoS2 HS undergoes redshifts.Additionally,the GaN-MoS2 HS maintains its direct band gap semiconductor behavior even when the tensile or compressive strain reaches 5%or-5%.Therefore,the results reported above can be used to expand the application of Ga N-MoS2 HSs to photovoltaic cells and photocatalysts.
