The deformation energy(Wd)of soil-like tectonic coal is crucial for investigating the mechanism of coal and gas outbursts.Tectonic coal has a significant nonlinear constitutive relationship,which makes traditional ela...The deformation energy(Wd)of soil-like tectonic coal is crucial for investigating the mechanism of coal and gas outbursts.Tectonic coal has a significant nonlinear constitutive relationship,which makes traditional elastic-based models for computing Wdunsuitable.Inspired by critical state soil mechanics,this study theoretically established a new calculation model of Wdsuitable for the coal with nonlinear deformation characteristics.In the new model,the relationship between energy and stress no longer follows the square law(observed in traditional linear elastic models)but exhibits a power function,with the theoretical value of the power exponent ranging between 1 and 2.Hydrostatic cyclic loading and unloading experiments were conducted on four groups of tectonic coal samples and one group of intact coal samples.The results indicated that the relationship between Wdand stress for both intact and tectonic coal follows a power law.The exponents for intact and tectonic coal are close to 2 and 1,respectively.The stress-strain curve of intact coal exhibits small deformation and linear characteristics,whereas the stress-strain curves of tectonic coal show large deformation and nonlinear characteristics.The study specifically investigates the role of coal viscosity in the cyclic loading/unloading process.The downward bending in the unloading curves can be attributed to the time-dependent characteristics of coal,particularly its viscoelastic behavior.Based on experimental statistics,the calculation model of Wdwas further simplified.The simplified model involves only one unknown parameter,which is the power exponent between Wdand stress.The measured Wdof the coal samples increases with the number of load cycles.This phenomenon is attributed to coal's viscoelastic deformation.Within the same stress,the Wdof tectonic coal is an order of magnitude greater than that of intact coal.The calculation model of Wdproposed in this paper provides a new tool for studying the energy principle of coal and gas outbursts.展开更多
Effectively separating bastnaesite from calcium-bearing gangue minerals(particularly calcite)presents a formidable challenge,making the development of efficient collectors crucial.To achieve this,we have designed and ...Effectively separating bastnaesite from calcium-bearing gangue minerals(particularly calcite)presents a formidable challenge,making the development of efficient collectors crucial.To achieve this,we have designed and synthesized a novel,highly efficient,water-soluble cationic collector,N-dodecylisopropanolamine(NDIA),for use in the bastnaesite-calcite flotation process.Density functional theory(DFT)calculations identified the amine nitrogen atom in NDIA as the site most susceptible to electrophilic attack and electron loss.By introducing an OH group into the traditional collector dodecylamine(DDA)structure,NDIA provided additional adsorption sites,enabling synergistic adsorption on the surface of bastnaesite,thereby significantly enhancing both the floatability and selectivity of these minerals.The recovery of bastnaesite was 76.02%,while the calcite was 1.26%.The NDIA markedly affected the zeta potential of bastnaesite,while its impact on calcite was relatively minor.Detailed Fourier-transform infrared spectroscopy(FTIR)and X-ray photoelectron spectroscopy(XPS)results elucidated that the―NH―and―OH groups in NDIA anchored onto the bastnaesite surface through robust electrostatic and hydrogen bonding interactions,thereby enhancing bastnaesite's affinity for NDIA.Furthermore,in situ atomic force microscopy(AFM)provided conclusive evidence of NDIA aggregation on the bastnaesite surface,improving contact angle and hydrophobicity,and significantly boosting the flotation recovery of bastnaesite.展开更多
As a new generation electrode materials for energy storage,perovskites have attracted wide attention because of their unique crystal structure,reversible active sites,rich oxygen vacancies,and good stability.In this r...As a new generation electrode materials for energy storage,perovskites have attracted wide attention because of their unique crystal structure,reversible active sites,rich oxygen vacancies,and good stability.In this review,the design and engineering progress of perovskite materials for supercapacitors(SCs)in recent years is summarized.Specifically,the review will focus on four types of perovskites,perovskite oxides,halide perovskites,fluoride perovskites,and multi-perovskites,within the context of their intrinsic structure and corresponding electrochemical performance.A series of experimental variables,such as synthesis,crystal structure,and electrochemical reaction mechanism,will be carefully analyzed by combining various advanced characterization techniques and theoretical calculations.The applications of these materials as electrodes are then featured for various SCs.Finally,we look forward to the prospects and challenges of perovskite-type SCs electrodes,as well as the future research direction.展开更多
In this article,the experimental and finite element analysis is utilized to investigate the quasi-static compression features of sandwich constructions built with tapered tubes.3D printing technology was utilized to c...In this article,the experimental and finite element analysis is utilized to investigate the quasi-static compression features of sandwich constructions built with tapered tubes.3D printing technology was utilized to create the hollow centers of the tapering tubes,with and without corrugations.The results demonstrate that the energy absorption(EA)and specific energy absorption(SEA)of the single corrugated tapered tube sandwich are 51.6% and 19.8% higher,respectively,than those of the conical tube sandwich.Furthermore,the results demonstrate that energy absorbers can benefit from corrugation in order to increase their efficiency.Additionally,the tapered corrugated tubes'resistance to oblique impacts was studied.Compared to a straight tube,the tapered tube is more resistant to oblique loads and has a lower initial peak crushing force(PCF),according to numerical simulations.After conducting a parametric study,it was discovered that the energy absorption performance of the sandwich construction is significantly affected by the amplitude,number of corrugations,and wall thickness.EA and SEA of DTS with corrugation number of 8 increased by 17.4%and 29.6%,respectively,while PCF decreased by 9.2% compared to DTS with corrugation number of 10.展开更多
This paper presents the first-ever investigation of Menger fractal cubes'quasi-static compression and impact behaviour.Menger cubes with different void ratios were 3D printed using polylactic acid(PLA)with dimensi...This paper presents the first-ever investigation of Menger fractal cubes'quasi-static compression and impact behaviour.Menger cubes with different void ratios were 3D printed using polylactic acid(PLA)with dimensions of 40 mm×40 mm×40 mm.Three different orders of Menger cubes with different void ratios were considered,namely M1 with a void ratio of 0.26,M2 with a void ratio of 0.45,and M3with a void ratio of 0.60.Quasi-static Compression tests were conducted using a universal testing machine,while the drop hammer was used to observe the behaviour under impact loading.The fracture mechanism,energy efficiency and force-time histories were studied.With the structured nature of the void formation and predictability of the failure modes,the Menger geometry showed some promise compared to other alternatives,such as foams and honeycombs.With the increasing void ratio,the Menger geometries show force-displacement behaviour similar to hyper-elastic materials such as rubber and polymers.The third-order Menger cubes showed the highest energy absorption efficiency compared to the other two geometries in this study.The findings of the present work reveal the possibility of using additively manufactured Menger geometries as an energy-efficient system capable of reducing the transmitting force in applications such as crash barriers.展开更多
The high variability of shock in terrorist attacks poses a threat to people's lives and properties,necessitating the development of more effective protective structures.This study focuses on the angle gradient and...The high variability of shock in terrorist attacks poses a threat to people's lives and properties,necessitating the development of more effective protective structures.This study focuses on the angle gradient and proposes four different configurations of concave hexagonal honeycomb structures.The structures'macroscopic deformation behavior,stress-strain relationship,and energy dissipation characteristics are evaluated through quasi-static compression and Hopkinson pressure bar impact experiments.The study reveals that,under varying strain rates,the structures deform starting from the weak layer and exhibit significant interlayer separation.Additionally,interlayer shear slip becomes more pronounced with increasing strain rate.In terms of quasi-static compression,symmetric gradient structures demonstrate superior energy absorption,particularly the symmetric negative gradient structure(SNG-SMS)with a specific energy absorption of 13.77 J/cm~3.For dynamic impact,unidirectional gradient structures exhibit exceptional energy absorption,particularly the unidirectional positive gradient honeycomb structure(UPG-SML)with outstanding mechanical properties.The angle gradient design plays a crucial role in determining the structure's stability and deformation mode during impact.Fewer interlayer separations result in a more pronounced negative Poisson's ratio effect and enhance the structure's energy absorption capacity.These findings provide a foundation for the rational design and selection of seismic protection structures in different strain rate impact environments.展开更多
We report a linear-scaling random Green's function(rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projec...We report a linear-scaling random Green's function(rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projecting onto Krylov subspace. With the rGF method, the Fermi–Dirac operator can be obtained directly, avoiding the polynomial expansion to Fermi–Dirac function. To demonstrate the applicability, we implement the rGF method with the density-functional tight-binding method. It is shown that the Krylov subspace can maintain at small size for materials with different gaps at zero temperature, including H_(2)O and Si clusters. We find with a simple deflation technique that the rGF self-consistent calculation of H_(2)O clusters at T = 0 K can reach an error of~ 1 me V per H_(2)O molecule in total energy, compared to deterministic calculations. The rGF method provides an effective stochastic method for large-scale electronic structure simulation.展开更多
I had the privilege and the pleasure to work closely with Stephen J. Pennycook for about twenty years, having a group of post-docs and Vanderbilt-University graduate students embedded in his electron microscopy group ...I had the privilege and the pleasure to work closely with Stephen J. Pennycook for about twenty years, having a group of post-docs and Vanderbilt-University graduate students embedded in his electron microscopy group at Oak Ridge National Laboratory, spending on average a day per week there. We combined atomic-resolution imaging of materials,electron-energy-loss spectroscopy, and density-functional-theory calculations to explore and elucidate diverse materials phenomena, often resolving long-standing issues. This paper is a personal perspective of that journey, highlighting a few examples to illustrate the power of combining theory and microscopy and closing with an assessment of future prospects.展开更多
The resistivity difference between oil and gas layers and the water layers in low contrast tight sandstone reservoirs is subtle. Fluid identification and saturation calculation based on conventional logging methods ar...The resistivity difference between oil and gas layers and the water layers in low contrast tight sandstone reservoirs is subtle. Fluid identification and saturation calculation based on conventional logging methods are facing challenges in such reservoirs. In this paper, a new method is proposed for fluid identification and saturation calculation in low contrast tight sandstone reservoirs. First, a model for calculating apparent formation water resistivity is constructed, which takes into account the influence of shale on the resistivity calculation and avoids apparent formation water resistivity abnormal values.Based on the distribution of the apparent formation water resistivity obtained by the new model, the water spectrum is determined for fluid identification in low contrast tight sandstone reservoirs.Following this, according to the average, standard deviation, and endpoints of the water spectrum, a new four-parameter model for calculating reservoir oil and gas saturation is built. The methods proposed in this paper are applied to the low contrast tight sandstone reservoirs in the Q4 formation of the X53 block and X70 block in the south of Songliao Basin, China. The results show that the water spectrum method can effectively distinguish oil-water layers and water layers in the study area. The standard deviation of the water spectrum in the oil-water layer is generally greater than that in the water layer. The new four-parameter model yields more accurate oil and gas saturation. These findings verify the effectiveness of the proposed methods.展开更多
Electrocatalytic water splitting is crucial for H2generation via hydrogen evolution reaction(HER)but subject to the sluggish dynamics of oxygen evolution reaction(OER).In this work,single Fe atomdoped MoS_(2)nanosheet...Electrocatalytic water splitting is crucial for H2generation via hydrogen evolution reaction(HER)but subject to the sluggish dynamics of oxygen evolution reaction(OER).In this work,single Fe atomdoped MoS_(2)nanosheets(SFe-DMNs)were prepared based on the high-throughput density functional theory(DFT)calculation screening.Due to the synergistic effect between Fe atom and MoS_(2)and optimized intermediate binding energy,the SFe-DMNs could deliver outstanding activity for both HER and OER.When assembled into a two-electrode electrolytic cell,the SFe-DMNs could achieve the current density of 50 mA cm^(-2)at a low cell voltage of 1.55 V under neutral condition.These results not only confirmed the effectiveness of high-throughput screening,but also revealed the excellent activity and thus the potential applications in fuel cells of SFe-DMNs.展开更多
The forging stage of rail flash welding has a decisive influence on joint strength,and the study of the temperature distribution in the process has an important role in further improving joint strength.In this paper,t...The forging stage of rail flash welding has a decisive influence on joint strength,and the study of the temperature distribution in the process has an important role in further improving joint strength.In this paper,three calculation methods for the temperature field are given.First,the finite element model of the temperature field before forging rail flash welding is established by using the transient heat module of Ansys software and verified by infrared temperature measurement.Second,the temperature distribution of different parts of the rail before flash welding is obtained by using infrared thermal imaging equipment.Third,Matlab software is used to calculate the temperature of the non-measured part.Finally,the temperature distribution function along the rail axis is fitted through the temperature measurement data.The temperature distribution before the top forging of the rail flash welding can be used to analyze the joint and heat-affected zone organization and properties effectively and to guide the parameter setting and industrial production.展开更多
In generator design field,waveform total harmonic distortion(THD)and telephone harmonic factor(THF)are parameters commonly used to measure the impact of generator no-load voltage harmonics on the power communication q...In generator design field,waveform total harmonic distortion(THD)and telephone harmonic factor(THF)are parameters commonly used to measure the impact of generator no-load voltage harmonics on the power communication quality.Tubular hydrogenerators are considered the optimal generator for exploiting low-head,high-flow hydro resources,and they have seen increasingly widespread application in China's power systems recent years.However,owing to the compact and constrained internal space of such generators,their internal magnetic-field harmonics are pronounced.Therefore,accurate calculation of their THD and THF is crucial during the analysis and design stages to ensure the quality of power communication.Especially in the electromagnetic field finite element modeling analysis of such generators,the type and order of the finite element meshes may have a significant impact on the THD and THF calculation results,which warrants in-depth research.To address this,this study takes a real 34 MW large tubular hydrogenerator as an example,and establishes its electromagnetic field finite element model under no-load conditions.Two types of meshes,five mesh densities,and two mesh orders are analyzed to reveal the effect of electromagnetic field finite element mesh types and orders on the calculation results of THD and THF for such generators.展开更多
A simple method for calculating distance between a solid sphere and a constructive solid geometry (CSG) so lid primitive (including block, cone, cylinder, sphere, wedge and torus) is derived to support the collision ...A simple method for calculating distance between a solid sphere and a constructive solid geometry (CSG) so lid primitive (including block, cone, cylinder, sphere, wedge and torus) is derived to support the collision detection algorithm. By decomposing the whole space into relative positions and geometric features of the sphere and the primitive considered, closed form distance formula are got. These calculations are very useful in the real time collision detection in which primitives are used as bounding volumes of complex objects.展开更多
The coherent anti Stokes Raman spectrum (CARS) technology, as a new temperature measurement method, is paid more and more attention to recently. The theoretical CARS spectra of nitrogen Q branch are calculated, the ...The coherent anti Stokes Raman spectrum (CARS) technology, as a new temperature measurement method, is paid more and more attention to recently. The theoretical CARS spectra of nitrogen Q branch are calculated, the spectra at different temperatures are obtained and the effect on the CARS spectra of Raman line width is also discussed. The results show that CARS spectra are sensitive to temperature and spectrum solution is good when the Raman line width is narrow enough. The accuracy of detonation temperature measurement with this technology will reach high level.展开更多
A mechanical model of the quasi-static interface of a mode I crack between a rigid and a pressure-sensitive viscoelastic material was established to investigate the mechanical characteristic of ship-building engineeri...A mechanical model of the quasi-static interface of a mode I crack between a rigid and a pressure-sensitive viscoelastic material was established to investigate the mechanical characteristic of ship-building engineering hi-materials. In the stable growth stage, stress and strain have the same singularity, ie （σ, ε） ∝ r^-1/（n-1）. The variable-separable asymptotic solutions of stress and strain at the crack tip were obtained by adopting Airy＇s stress function and the numerical results of stress and strain in the crack-tip field were obtained by the shooting method. The results showed that the near-tip fields are mainly governed by the power-hardening exponent n and the Poisson ratio v of the pressure-sensitive material. The fracture criterion of mode I quasi-static crack growth in pressure-sensitive materials, according to the asymptotic analyses of the crack-tip field, can be viewed from the perspective of strain.展开更多
Statistical expression of vapour pressure equations of metals is derived from the Debye model.The statistical distribution of T_(-p) ensemble is presented in an in-elab- orate mode and the partition function is define...Statistical expression of vapour pressure equations of metals is derived from the Debye model.The statistical distribution of T_(-p) ensemble is presented in an in-elab- orate mode and the partition function is defined.The vapour pressure of eleven metals have been calculated with the Debye equation and compared with those given by the E- instein equation and empirical equation.Comparison of results of calculation from dif- ferent methods show their evident accordance within the same orders of magnitude.展开更多
For demonstrating a multiterminal voltage-source converter(VSC)-based high-voltage DC(HVDC)(VSCHVDC) project, this study puts forward a technical route for calculating the power flow in a 500-kV VSC-HVDC power grid in...For demonstrating a multiterminal voltage-source converter(VSC)-based high-voltage DC(HVDC)(VSCHVDC) project, this study puts forward a technical route for calculating the power flow in a 500-kV VSC-HVDC power grid in comparison with that of an AC power grid. The Jacobian matrix used in the power-flow calculation was deduced through methods such as Newton–Laphson iteration and Taylor series expansion. Further, the operation effect of powerflow calculation on a true bipolar VSC-HVDC power grid was analyzed briefly. The elements of the Jacobian matrix corresponding to VSC were studied under the mode of droop control and the control strategy of VSC-HVDC power grid was analyzed in detail. The power-flow calculation model for VSC-HVDC power grid of the master–slave control mode was simplified using the PQ decomposition method of the power-flow calculation of an AC power grid. Moreover, a four-terminal model of the Zhangbei VSC-HVDC demonstration project was established and tested on MATLAB. The simulation results under two kinds of operating conditions were analyzed and compared to the results of BPA; the deviation between the power-flow results was studied. The results show that the proposed calculation method can provide a feasible support for calculating the power flow in VSC-HVDC grids.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
The paper presents analysis of the performance and the internal flow behaviour in the vaned diffuser of a radial flow pump using PIV(particle image velocimetry)and pressure probe traverses.PIV measurements have alread...The paper presents analysis of the performance and the internal flow behaviour in the vaned diffuser of a radial flow pump using PIV(particle image velocimetry)and pressure probe traverses.PIV measurements have already been performed at middle height inside one diffuser channel passage for a given speed of rotation and various mass flow rates.These results have been already presented in several previous communications.New experiments have been performed using a three-hole pressure probe traverses from hub to shroud diffuser width at different radial locations between the two diffuser geometrical throats.Numerical simulations are also realized with the commercial codes Star CCM+7.02.011 and CFX.Frozen rotor and fully unsteady calculations of the whole pump have been performed.Comparisons between numerical results,previous experimental PIV results and new probe traverses one's are presented and discussed for one mass flow rate.In this respect,a first attempt to take into account fluid leakages between the rotating and fixed part of the pump has been checked since it may affects the real flow structure inside the diffuser.展开更多
Using the Monte Carlo transport code MCNP, neutronic calculation analysis for China helium cooled ceramic breeder test blanket module （CN HCCB TBM） and the associated shield block （together called TBM-set） has bee...Using the Monte Carlo transport code MCNP, neutronic calculation analysis for China helium cooled ceramic breeder test blanket module （CN HCCB TBM） and the associated shield block （together called TBM-set） has been carried out based on the latest design of HCCB TBM-set and C-lite model. Key nuclear responses of HCCB TBM-set, such as the neutron flux, tritium production rate, nuclear heating and radiation damage, have been obtained and discussed. These nuclear performance data can be used as the basic input data for other analyses of HCCB TBM-set, such as thermal-hydraulics~ thermal-mechanics and safety analysis.展开更多
基金supported by the Fundamental Research Funds for the Central Universities(No.2024QN11072)National Natural Science Foundation of China(Nos.52404264 and 52174217)State Key Program of the National Natural Science Foundation of China(No.52034008)。
文摘The deformation energy(Wd)of soil-like tectonic coal is crucial for investigating the mechanism of coal and gas outbursts.Tectonic coal has a significant nonlinear constitutive relationship,which makes traditional elastic-based models for computing Wdunsuitable.Inspired by critical state soil mechanics,this study theoretically established a new calculation model of Wdsuitable for the coal with nonlinear deformation characteristics.In the new model,the relationship between energy and stress no longer follows the square law(observed in traditional linear elastic models)but exhibits a power function,with the theoretical value of the power exponent ranging between 1 and 2.Hydrostatic cyclic loading and unloading experiments were conducted on four groups of tectonic coal samples and one group of intact coal samples.The results indicated that the relationship between Wdand stress for both intact and tectonic coal follows a power law.The exponents for intact and tectonic coal are close to 2 and 1,respectively.The stress-strain curve of intact coal exhibits small deformation and linear characteristics,whereas the stress-strain curves of tectonic coal show large deformation and nonlinear characteristics.The study specifically investigates the role of coal viscosity in the cyclic loading/unloading process.The downward bending in the unloading curves can be attributed to the time-dependent characteristics of coal,particularly its viscoelastic behavior.Based on experimental statistics,the calculation model of Wdwas further simplified.The simplified model involves only one unknown parameter,which is the power exponent between Wdand stress.The measured Wdof the coal samples increases with the number of load cycles.This phenomenon is attributed to coal's viscoelastic deformation.Within the same stress,the Wdof tectonic coal is an order of magnitude greater than that of intact coal.The calculation model of Wdproposed in this paper provides a new tool for studying the energy principle of coal and gas outbursts.
基金supported by the the National Key R&D Program of China(No.2021YFC2900800)National Natural Science Foundation of China(Nos.52425406,51874247,51922091,and 52204285)+4 种基金the Open Research Fund of State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization(No.CNMRCUKF2001)Science and Technology Major Project of Ordos City-Iconic Innovation Team and “Rejuvenating Inner Mongolia through Science and Technology”(No.202204/2023)Yueqi Outstanding Scholar Award of CUMTB(No.202022)Funded by Open Foundation of State Key Laboratory of Mineral Processing(No.BGRIMM-KJSKL-2023-05)Fundamental Research Funds for the Central Universities(Ph.D.Top Innovative Talents Fund of CUMT BBJ2024048)。
文摘Effectively separating bastnaesite from calcium-bearing gangue minerals(particularly calcite)presents a formidable challenge,making the development of efficient collectors crucial.To achieve this,we have designed and synthesized a novel,highly efficient,water-soluble cationic collector,N-dodecylisopropanolamine(NDIA),for use in the bastnaesite-calcite flotation process.Density functional theory(DFT)calculations identified the amine nitrogen atom in NDIA as the site most susceptible to electrophilic attack and electron loss.By introducing an OH group into the traditional collector dodecylamine(DDA)structure,NDIA provided additional adsorption sites,enabling synergistic adsorption on the surface of bastnaesite,thereby significantly enhancing both the floatability and selectivity of these minerals.The recovery of bastnaesite was 76.02%,while the calcite was 1.26%.The NDIA markedly affected the zeta potential of bastnaesite,while its impact on calcite was relatively minor.Detailed Fourier-transform infrared spectroscopy(FTIR)and X-ray photoelectron spectroscopy(XPS)results elucidated that the―NH―and―OH groups in NDIA anchored onto the bastnaesite surface through robust electrostatic and hydrogen bonding interactions,thereby enhancing bastnaesite's affinity for NDIA.Furthermore,in situ atomic force microscopy(AFM)provided conclusive evidence of NDIA aggregation on the bastnaesite surface,improving contact angle and hydrophobicity,and significantly boosting the flotation recovery of bastnaesite.
基金financial support from the National Natural Science Foundation of China(21676036)the Natural Science Foundation of Chongqing(CSTB2023NSCQ-MSX0580)the Graduate Research and Innovation Foundation of Chongqing(CYS-20040)。
文摘As a new generation electrode materials for energy storage,perovskites have attracted wide attention because of their unique crystal structure,reversible active sites,rich oxygen vacancies,and good stability.In this review,the design and engineering progress of perovskite materials for supercapacitors(SCs)in recent years is summarized.Specifically,the review will focus on four types of perovskites,perovskite oxides,halide perovskites,fluoride perovskites,and multi-perovskites,within the context of their intrinsic structure and corresponding electrochemical performance.A series of experimental variables,such as synthesis,crystal structure,and electrochemical reaction mechanism,will be carefully analyzed by combining various advanced characterization techniques and theoretical calculations.The applications of these materials as electrodes are then featured for various SCs.Finally,we look forward to the prospects and challenges of perovskite-type SCs electrodes,as well as the future research direction.
基金the grants from the National Natural Science Foundation of China(Nos.52078152 and 12002095)Guangzhou Government-University Union Fund(No.202201020532)。
文摘In this article,the experimental and finite element analysis is utilized to investigate the quasi-static compression features of sandwich constructions built with tapered tubes.3D printing technology was utilized to create the hollow centers of the tapering tubes,with and without corrugations.The results demonstrate that the energy absorption(EA)and specific energy absorption(SEA)of the single corrugated tapered tube sandwich are 51.6% and 19.8% higher,respectively,than those of the conical tube sandwich.Furthermore,the results demonstrate that energy absorbers can benefit from corrugation in order to increase their efficiency.Additionally,the tapered corrugated tubes'resistance to oblique impacts was studied.Compared to a straight tube,the tapered tube is more resistant to oblique loads and has a lower initial peak crushing force(PCF),according to numerical simulations.After conducting a parametric study,it was discovered that the energy absorption performance of the sandwich construction is significantly affected by the amplitude,number of corrugations,and wall thickness.EA and SEA of DTS with corrugation number of 8 increased by 17.4%and 29.6%,respectively,while PCF decreased by 9.2% compared to DTS with corrugation number of 10.
文摘This paper presents the first-ever investigation of Menger fractal cubes'quasi-static compression and impact behaviour.Menger cubes with different void ratios were 3D printed using polylactic acid(PLA)with dimensions of 40 mm×40 mm×40 mm.Three different orders of Menger cubes with different void ratios were considered,namely M1 with a void ratio of 0.26,M2 with a void ratio of 0.45,and M3with a void ratio of 0.60.Quasi-static Compression tests were conducted using a universal testing machine,while the drop hammer was used to observe the behaviour under impact loading.The fracture mechanism,energy efficiency and force-time histories were studied.With the structured nature of the void formation and predictability of the failure modes,the Menger geometry showed some promise compared to other alternatives,such as foams and honeycombs.With the increasing void ratio,the Menger geometries show force-displacement behaviour similar to hyper-elastic materials such as rubber and polymers.The third-order Menger cubes showed the highest energy absorption efficiency compared to the other two geometries in this study.The findings of the present work reveal the possibility of using additively manufactured Menger geometries as an energy-efficient system capable of reducing the transmitting force in applications such as crash barriers.
基金financially supported by National Natural Science Foundation of China,China (Grant No.52022012)National Key R&D Program for Young Scientists of China,China (Grant No.2022YFC3080900)。
文摘The high variability of shock in terrorist attacks poses a threat to people's lives and properties,necessitating the development of more effective protective structures.This study focuses on the angle gradient and proposes four different configurations of concave hexagonal honeycomb structures.The structures'macroscopic deformation behavior,stress-strain relationship,and energy dissipation characteristics are evaluated through quasi-static compression and Hopkinson pressure bar impact experiments.The study reveals that,under varying strain rates,the structures deform starting from the weak layer and exhibit significant interlayer separation.Additionally,interlayer shear slip becomes more pronounced with increasing strain rate.In terms of quasi-static compression,symmetric gradient structures demonstrate superior energy absorption,particularly the symmetric negative gradient structure(SNG-SMS)with a specific energy absorption of 13.77 J/cm~3.For dynamic impact,unidirectional gradient structures exhibit exceptional energy absorption,particularly the unidirectional positive gradient honeycomb structure(UPG-SML)with outstanding mechanical properties.The angle gradient design plays a crucial role in determining the structure's stability and deformation mode during impact.Fewer interlayer separations result in a more pronounced negative Poisson's ratio effect and enhance the structure's energy absorption capacity.These findings provide a foundation for the rational design and selection of seismic protection structures in different strain rate impact environments.
基金financial support from the National Natural Science Foundation of China (Grant No. 12227901)the financial support from the National Natural Science Foundation of China (Grant Nos. 11974263 and 12174291)。
文摘We report a linear-scaling random Green's function(rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projecting onto Krylov subspace. With the rGF method, the Fermi–Dirac operator can be obtained directly, avoiding the polynomial expansion to Fermi–Dirac function. To demonstrate the applicability, we implement the rGF method with the density-functional tight-binding method. It is shown that the Krylov subspace can maintain at small size for materials with different gaps at zero temperature, including H_(2)O and Si clusters. We find with a simple deflation technique that the rGF self-consistent calculation of H_(2)O clusters at T = 0 K can reach an error of~ 1 me V per H_(2)O molecule in total energy, compared to deterministic calculations. The rGF method provides an effective stochastic method for large-scale electronic structure simulation.
文摘I had the privilege and the pleasure to work closely with Stephen J. Pennycook for about twenty years, having a group of post-docs and Vanderbilt-University graduate students embedded in his electron microscopy group at Oak Ridge National Laboratory, spending on average a day per week there. We combined atomic-resolution imaging of materials,electron-energy-loss spectroscopy, and density-functional-theory calculations to explore and elucidate diverse materials phenomena, often resolving long-standing issues. This paper is a personal perspective of that journey, highlighting a few examples to illustrate the power of combining theory and microscopy and closing with an assessment of future prospects.
基金funded by the National Natural Science Foundation of China (42174131)。
文摘The resistivity difference between oil and gas layers and the water layers in low contrast tight sandstone reservoirs is subtle. Fluid identification and saturation calculation based on conventional logging methods are facing challenges in such reservoirs. In this paper, a new method is proposed for fluid identification and saturation calculation in low contrast tight sandstone reservoirs. First, a model for calculating apparent formation water resistivity is constructed, which takes into account the influence of shale on the resistivity calculation and avoids apparent formation water resistivity abnormal values.Based on the distribution of the apparent formation water resistivity obtained by the new model, the water spectrum is determined for fluid identification in low contrast tight sandstone reservoirs.Following this, according to the average, standard deviation, and endpoints of the water spectrum, a new four-parameter model for calculating reservoir oil and gas saturation is built. The methods proposed in this paper are applied to the low contrast tight sandstone reservoirs in the Q4 formation of the X53 block and X70 block in the south of Songliao Basin, China. The results show that the water spectrum method can effectively distinguish oil-water layers and water layers in the study area. The standard deviation of the water spectrum in the oil-water layer is generally greater than that in the water layer. The new four-parameter model yields more accurate oil and gas saturation. These findings verify the effectiveness of the proposed methods.
基金supported by the Research Funds of Institute of Zhejiang University-Quzhou(IZQ2023RCZX032)the Natural Science Foundation of Guangdong Province(2022A1515010185)+1 种基金the Fundamental Research Funds for the Central Universities(FRF-TP-20-005A3)partially supported by the Special Funds for Postdoctoral Research at Tsinghua University(100415017)。
文摘Electrocatalytic water splitting is crucial for H2generation via hydrogen evolution reaction(HER)but subject to the sluggish dynamics of oxygen evolution reaction(OER).In this work,single Fe atomdoped MoS_(2)nanosheets(SFe-DMNs)were prepared based on the high-throughput density functional theory(DFT)calculation screening.Due to the synergistic effect between Fe atom and MoS_(2)and optimized intermediate binding energy,the SFe-DMNs could deliver outstanding activity for both HER and OER.When assembled into a two-electrode electrolytic cell,the SFe-DMNs could achieve the current density of 50 mA cm^(-2)at a low cell voltage of 1.55 V under neutral condition.These results not only confirmed the effectiveness of high-throughput screening,but also revealed the excellent activity and thus the potential applications in fuel cells of SFe-DMNs.
基金supported by the China National Railway Group Corporation Science and Technology Research and Development Program(J2022G009)Dr.Jingjing Li received no grant support.
文摘The forging stage of rail flash welding has a decisive influence on joint strength,and the study of the temperature distribution in the process has an important role in further improving joint strength.In this paper,three calculation methods for the temperature field are given.First,the finite element model of the temperature field before forging rail flash welding is established by using the transient heat module of Ansys software and verified by infrared temperature measurement.Second,the temperature distribution of different parts of the rail before flash welding is obtained by using infrared thermal imaging equipment.Third,Matlab software is used to calculate the temperature of the non-measured part.Finally,the temperature distribution function along the rail axis is fitted through the temperature measurement data.The temperature distribution before the top forging of the rail flash welding can be used to analyze the joint and heat-affected zone organization and properties effectively and to guide the parameter setting and industrial production.
基金sponsored by the National Natural Science Foundation,Youth Foundation of China,Grant/Award Number:51607146Sichuan Natural Sciences Fund,Grant/Award Number:2023NSFSC0295。
文摘In generator design field,waveform total harmonic distortion(THD)and telephone harmonic factor(THF)are parameters commonly used to measure the impact of generator no-load voltage harmonics on the power communication quality.Tubular hydrogenerators are considered the optimal generator for exploiting low-head,high-flow hydro resources,and they have seen increasingly widespread application in China's power systems recent years.However,owing to the compact and constrained internal space of such generators,their internal magnetic-field harmonics are pronounced.Therefore,accurate calculation of their THD and THF is crucial during the analysis and design stages to ensure the quality of power communication.Especially in the electromagnetic field finite element modeling analysis of such generators,the type and order of the finite element meshes may have a significant impact on the THD and THF calculation results,which warrants in-depth research.To address this,this study takes a real 34 MW large tubular hydrogenerator as an example,and establishes its electromagnetic field finite element model under no-load conditions.Two types of meshes,five mesh densities,and two mesh orders are analyzed to reveal the effect of electromagnetic field finite element mesh types and orders on the calculation results of THD and THF for such generators.
文摘A simple method for calculating distance between a solid sphere and a constructive solid geometry (CSG) so lid primitive (including block, cone, cylinder, sphere, wedge and torus) is derived to support the collision detection algorithm. By decomposing the whole space into relative positions and geometric features of the sphere and the primitive considered, closed form distance formula are got. These calculations are very useful in the real time collision detection in which primitives are used as bounding volumes of complex objects.
文摘The coherent anti Stokes Raman spectrum (CARS) technology, as a new temperature measurement method, is paid more and more attention to recently. The theoretical CARS spectra of nitrogen Q branch are calculated, the spectra at different temperatures are obtained and the effect on the CARS spectra of Raman line width is also discussed. The results show that CARS spectra are sensitive to temperature and spectrum solution is good when the Raman line width is narrow enough. The accuracy of detonation temperature measurement with this technology will reach high level.
基金Supported by Heilongjiang Province Foundation under Grant No.LC08C02
文摘A mechanical model of the quasi-static interface of a mode I crack between a rigid and a pressure-sensitive viscoelastic material was established to investigate the mechanical characteristic of ship-building engineering hi-materials. In the stable growth stage, stress and strain have the same singularity, ie （σ, ε） ∝ r^-1/（n-1）. The variable-separable asymptotic solutions of stress and strain at the crack tip were obtained by adopting Airy＇s stress function and the numerical results of stress and strain in the crack-tip field were obtained by the shooting method. The results showed that the near-tip fields are mainly governed by the power-hardening exponent n and the Poisson ratio v of the pressure-sensitive material. The fracture criterion of mode I quasi-static crack growth in pressure-sensitive materials, according to the asymptotic analyses of the crack-tip field, can be viewed from the perspective of strain.
文摘Statistical expression of vapour pressure equations of metals is derived from the Debye model.The statistical distribution of T_(-p) ensemble is presented in an in-elab- orate mode and the partition function is defined.The vapour pressure of eleven metals have been calculated with the Debye equation and compared with those given by the E- instein equation and empirical equation.Comparison of results of calculation from dif- ferent methods show their evident accordance within the same orders of magnitude.
基金supported by the State Grid Corporation of China Headquarter technology project (52010118000K)
文摘For demonstrating a multiterminal voltage-source converter(VSC)-based high-voltage DC(HVDC)(VSCHVDC) project, this study puts forward a technical route for calculating the power flow in a 500-kV VSC-HVDC power grid in comparison with that of an AC power grid. The Jacobian matrix used in the power-flow calculation was deduced through methods such as Newton–Laphson iteration and Taylor series expansion. Further, the operation effect of powerflow calculation on a true bipolar VSC-HVDC power grid was analyzed briefly. The elements of the Jacobian matrix corresponding to VSC were studied under the mode of droop control and the control strategy of VSC-HVDC power grid was analyzed in detail. The power-flow calculation model for VSC-HVDC power grid of the master–slave control mode was simplified using the PQ decomposition method of the power-flow calculation of an AC power grid. Moreover, a four-terminal model of the Zhangbei VSC-HVDC demonstration project was established and tested on MATLAB. The simulation results under two kinds of operating conditions were analyzed and compared to the results of BPA; the deviation between the power-flow results was studied. The results show that the proposed calculation method can provide a feasible support for calculating the power flow in VSC-HVDC grids.
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.
文摘The paper presents analysis of the performance and the internal flow behaviour in the vaned diffuser of a radial flow pump using PIV(particle image velocimetry)and pressure probe traverses.PIV measurements have already been performed at middle height inside one diffuser channel passage for a given speed of rotation and various mass flow rates.These results have been already presented in several previous communications.New experiments have been performed using a three-hole pressure probe traverses from hub to shroud diffuser width at different radial locations between the two diffuser geometrical throats.Numerical simulations are also realized with the commercial codes Star CCM+7.02.011 and CFX.Frozen rotor and fully unsteady calculations of the whole pump have been performed.Comparisons between numerical results,previous experimental PIV results and new probe traverses one's are presented and discussed for one mass flow rate.In this respect,a first attempt to take into account fluid leakages between the rotating and fixed part of the pump has been checked since it may affects the real flow structure inside the diffuser.
基金supported by the Major State Basic Research Development Program of China(973 Program)(No.2013GB108000)
文摘Using the Monte Carlo transport code MCNP, neutronic calculation analysis for China helium cooled ceramic breeder test blanket module （CN HCCB TBM） and the associated shield block （together called TBM-set） has been carried out based on the latest design of HCCB TBM-set and C-lite model. Key nuclear responses of HCCB TBM-set, such as the neutron flux, tritium production rate, nuclear heating and radiation damage, have been obtained and discussed. These nuclear performance data can be used as the basic input data for other analyses of HCCB TBM-set, such as thermal-hydraulics~ thermal-mechanics and safety analysis.
