To obtain the precise calculation method for the peak energy density and energy evolution properties of rocks subjected to uniaxial compression(UC)before the post-peak stage,particularly at s0.9sc(s denotes stress and...To obtain the precise calculation method for the peak energy density and energy evolution properties of rocks subjected to uniaxial compression(UC)before the post-peak stage,particularly at s0.9sc(s denotes stress and sc is the peak strength),extensive UC and uniaxial graded cyclical loading-unloading(GCLU)tests were performed on four rock types.In the GCLU tests,four unloading stress levels were designated when σ<0.9σc and six unloading stress levels were designated forσ≥0.9σc.The variations in the elastic energy density(ue),dissipative energy density(ud),and energy storage efficiency(C)for the four rock types under GCLU tests were analyzed.Based on the variation of ue whenσ≥0:9σc,a method for calculating the peak energy density was proposed.The energy evolution in rock under UC condition before the post-peak stage was examined.The relationship between C0.9(C atσ≥0:9σc)and mechanical behavior of rocks was explored,and the damage evolution of rock was analyzed in view of energy.Compared with that of the three existing methods,the accuracy of the calculation method of peak energy density proposed in this study is higher.These findings could provide a theoretical foundation for more accurately revealing the failure behavior of rock from an energy perspective.展开更多
Sensitivity analysis and topology optimization of microstructures using strain energy-based method is presented. Compared with homogenization method, the strain energy-based method has advantages of higher computing e...Sensitivity analysis and topology optimization of microstructures using strain energy-based method is presented. Compared with homogenization method, the strain energy-based method has advantages of higher computing efficiency and simplified programming. Both the dual convex programming method and perimeter constraint scheme are used to optimize the 2D and 3D microstructures. Numerical results indicate that the strain energy-based method has the same effectiveness as that of homogenization method for orthotropic materials.展开更多
Electronic circular dichroism(ECD)spectrum is an important tool for as-sessing molecular chirality.Tradition-al methods,like linear response time-dependent density functional theory(LR-TDDFT),predict ECD spectra well ...Electronic circular dichroism(ECD)spectrum is an important tool for as-sessing molecular chirality.Tradition-al methods,like linear response time-dependent density functional theory(LR-TDDFT),predict ECD spectra well for small or medium-sized molecules,but struggle with large sys-tems due to high computational costs,making it a significant challenge to ac-curately and efficiently predict the ECD properties of complex systems.Within the framework of the generalized energy-based fragmentation(GEBF)method for localized excited states(ESs)calculation,we propose a combination algorithm for calculating rotatory strengths of ESs in condensed phase systems.This algorithm estimates the rotatory strength of the total system by calculating and combin-ing the transition electric and magnetic dipole moments of subsystems.We have used the GEBF method to calculate the ECD properties of chiral drug molecule derivatives,green fluo-rescent protein,and cyclodextrin derivatives,and compared their results with traditional methods or experimental data.The results show that this method can efficiently and accu-rately predict the ECD spectra of these systems.Thus,the GEBF method for ECD spectra demonstrates great potential in the chiral analysis of complex systems and chiral material design,promising to become a powerful theoretical tool in chiral chemistry.展开更多
Accurate description of noncova-lent interactions in large systems is challenging due to the require-ment of high-level electron corre-lation methods.The generalized energy-based fragmentation(GEBF)approach,in conjunc...Accurate description of noncova-lent interactions in large systems is challenging due to the require-ment of high-level electron corre-lation methods.The generalized energy-based fragmentation(GEBF)approach,in conjunc-tion with the domain-based local pair natural orbital(DLPNO)method,has been applied to assess the average binding energies(ABEs)of large benzene clus-ters,specifically(C6H6)13,at the coupled cluster singles and doubles with perturbative triples correction[CCSD(T)]level and the complete basis set(CBS)limit.Utilizing GEBF-DLPNO-CCSD(T)/CBS ABEs as benchmarks,various DFT functionals were evaluated.It was found that several functionals with empirical dispersion correction,including M06-2X-D3,B3LYP-D3(BJ),and PBE-D3(BJ),provide accurate descriptions of the ABEs for(C6H6)13 clusters.Additionally,the M06-2X-D3 functional was used to calculate the ABEs and relative stabili-ties of(C6H6)n clusters for n=11,12,13,14,and 15 revealing that the(C6H6)13 cluster ex-hibits the highest relative stability.These findings align with experimental evidence suggest-ing that n=13 is one of the magic numbers for benzene clusters(C6H6)n,with n≤30.展开更多
Deep high-energy rock masses are susceptible to dynamic and static disasters in underground caverns when stress waves superimpose on them. Scientifically evaluating the stability of surrounding rock mass under such co...Deep high-energy rock masses are susceptible to dynamic and static disasters in underground caverns when stress waves superimpose on them. Scientifically evaluating the stability of surrounding rock mass under such conditions is fundamental for predicting and preventing related hazards. This study combines laboratory dynamic disturbance tests with numerical simulations to analyze changes in the three-dimensional stress state of surrounding rock caused by stress waves. It was found that stress waves not only alter the magnitude of unit stresses but also cause rotation of the principal stress axes. Based on the failure approach index(FAI), a new dynamic response evaluation index for brittle surrounding rock—the Energy Hazard Index(FAI_(E)) is proposed from an energy perspective. This index can derive functional expressions based on different strength criteria, offering good extensibility. Using the Mohr-Coulomb strength criterion as an example, the specific functional expression of FAI_(E) is provided. Comparison with experimental results confirms that the evaluation outcomes align with the dynamic response characteristics of surrounding rock mass, simultaneously considering both tensile and shear failure modes. Parameter sensitivity tests demonstrate the applicability of the index under complex conditions. Furthermore, the relationship between FAIE and commonly used dynamic disturbance evaluation parameters—such as Peak Particle Velocity(PPV)—has been examined, demonstrating that FAIE provides a more accurate and direct assessment of stability. Finally, a rapid engineering application method for FAIE is presented. The research findings hold significant importance for future stability evaluation and support design of surrounding rock in deep underground engineering projects.展开更多
A procedure is proposed whereby input and hysteretic energy spectra developed for single-degree-of-freedom （SDOF） systems are applied to multi-degree-of-freedom （MDOF） steel moment resisting frames. The proposed p...A procedure is proposed whereby input and hysteretic energy spectra developed for single-degree-of-freedom （SDOF） systems are applied to multi-degree-of-freedom （MDOF） steel moment resisting frames. The proposed procedure is verified using four frames, viz., frame with three-, five-, seven- and nine-stories, each of which is subjected to the fault- normal and fault-parallel components of three actual earthquakes. A very good estimate for the three- and five-story frames, and a reasonably acceptable estimate for the seven-, and nine-story frames, have been obtained. A method for distributing the hysteretic energy over the frame height is also proposed. This distribution scheme allows for the determination of the energy demand component of a proposed energy-based seismic design （EBSD） procedure for each story. To address the capacity component of EBSD, a story-wise optimization design procedure is developed by utilizing the energy dissipating capacity from plastic hinge formation/rotation for these moment frames. The proposed EBSD procedure is demonstrated in the design of a three-story one-bay steel moment frame.展开更多
To analyze the differences in the transport and distribution of different types of proppants and to address issues such as the short effective support of proppant and poor placement in hydraulically intersecting fract...To analyze the differences in the transport and distribution of different types of proppants and to address issues such as the short effective support of proppant and poor placement in hydraulically intersecting fractures,this study considered the combined impact of geological-engineering factors on conductivity.Using reservoir production parameters and the discrete elementmethod,multispherical proppants were constructed.Additionally,a 3D fracture model,based on the specified conditions of the L block,employed coupled(Computational Fluid Dynamics)CFD-DEM(Discrete ElementMethod)for joint simulations to quantitatively analyze the transport and placement patterns of multispherical proppants in intersecting fractures.Results indicate that turbulent kinetic energy is an intrinsic factor affecting proppant transport.Moreover,the efficiency of placement and migration distance of low-sphericity quartz sand constructed by the DEM in the main fracture are significantly reduced compared to spherical ceramic proppants,with a 27.7%decrease in the volume fraction of the fracture surface,subsequently affecting the placement concentration and damaging fracture conductivity.Compared to small-angle fractures,controlling artificial and natural fractures to expand at angles of 45°to 60°increases the effective support length by approximately 20.6%.During hydraulic fracturing of gas wells,ensuring the fracture support area and post-closure conductivity can be achieved by controlling the sphericity of proppants and adjusting the perforation direction to control the direction of artificial fractures.展开更多
Modal parameters can accurately characterize the structural dynamic properties and assess the physical state of the structure.Therefore,it is particularly significant to identify the structural modal parameters accordi...Modal parameters can accurately characterize the structural dynamic properties and assess the physical state of the structure.Therefore,it is particularly significant to identify the structural modal parameters according to the monitoring data information in the structural health monitoring(SHM)system,so as to provide a scientific basis for structural damage identification and dynamic model modification.In view of this,this paper reviews methods for identifying structural modal parameters under environmental excitation and briefly describes how to identify structural damages based on the derived modal parameters.The paper primarily introduces data-driven modal parameter recognition methods(e.g.,time-domain,frequency-domain,and time-frequency-domain methods,etc.),briefly describes damage identification methods based on the variations of modal parameters(e.g.,natural frequency,modal shapes,and curvature modal shapes,etc.)and modal validation methods(e.g.,Stability Diagram and Modal Assurance Criterion,etc.).The current status of the application of artificial intelligence(AI)methods in the direction of modal parameter recognition and damage identification is further discussed.Based on the pre-vious analysis,the main development trends of structural modal parameter recognition and damage identification methods are given to provide scientific references for the optimized design and functional upgrading of SHM systems.展开更多
This study investigated the physicochemical properties,enzyme activities,volatile flavor components,microbial communities,and sensory evaluation of high-temperature Daqu(HTD)during the maturation process,and a standar...This study investigated the physicochemical properties,enzyme activities,volatile flavor components,microbial communities,and sensory evaluation of high-temperature Daqu(HTD)during the maturation process,and a standard system was established for comprehensive quality evaluation of HTD.There were obvious changes in the physicochemical properties,enzyme activities,and volatile flavor components at different storage periods,which affected the sensory evaluation of HTD to a certain extent.The results of high-throughput sequencing revealed significant microbial diversity,and showed that the bacterial community changed significantly more than did the fungal community.During the storage process,the dominant bacterial genera were Kroppenstedtia and Thermoascus.The correlation between dominant microorganisms and quality indicators highlighted their role in HTD quality.Lactococcus,Candida,Pichia,Paecilomyces,and protease activity played a crucial role in the formation of isovaleraldehyde.Acidic protease activity had the greatest impact on the microbial community.Moisture promoted isobutyric acid generation.Furthermore,the comprehensive quality evaluation standard system was established by the entropy weight method combined with multi-factor fuzzy mathematics.Consequently,this study provides innovative insights for comprehensive quality evaluation of HTD during storage and establishes a groundwork for scientific and rational storage of HTD and quality control of sauce-flavor Baijiu.展开更多
Due to the heterogeneity of rock masses and the variability of in situ stress,the traditional linear inversion method is insufficiently accurate to achieve high accuracy of the in situ stress field.To address this cha...Due to the heterogeneity of rock masses and the variability of in situ stress,the traditional linear inversion method is insufficiently accurate to achieve high accuracy of the in situ stress field.To address this challenge,nonlinear stress boundaries for a numerical model are determined through regression analysis of a series of nonlinear coefficient matrices,which are derived from the bubbling method.Considering the randomness and flexibility of the bubbling method,a parametric study is conducted to determine recommended ranges for these parameters,including the standard deviation(σb)of bubble radii,the non-uniform coefficient matrix number(λ)for nonlinear stress boundaries,and the number(m)and positions of in situ stress measurement points.A model case study provides a reference for the selection of these parameters.Additionally,when the nonlinear in situ stress inversion method is employed,stress distortion inevitably occurs near model boundaries,aligning with the Saint Venant's principle.Two strategies are proposed accordingly:employing a systematic reduction of nonlinear coefficients to achieve high inversion accuracy while minimizing significant stress distortion,and excluding regions with severe stress distortion near the model edges while utilizing the central part of the model for subsequent simulations.These two strategies have been successfully implemented in the nonlinear in situ stress inversion of the Xincheng Gold Mine and have achieved higher inversion accuracy than the linear method.Specifically,the linear and nonlinear inversion methods yield root mean square errors(RMSE)of 4.15 and 3.2,and inversion relative errors(δAve)of 22.08%and 17.55%,respectively.Therefore,the nonlinear inversion method outperforms the traditional multiple linear regression method,even in the presence of a systematic reduction in the nonlinear stress boundaries.展开更多
The separation-of-variable(SOV)methods,such as the improved SOV method,the variational SOV method,and the extended SOV method,have been proposed by the present authors and coworkers to obtain the closed-form analytica...The separation-of-variable(SOV)methods,such as the improved SOV method,the variational SOV method,and the extended SOV method,have been proposed by the present authors and coworkers to obtain the closed-form analytical solutions for free vibration and eigenbuckling of rectangular plates and circular cylindrical shells.By taking the free vibration of rectangular thin plates as an example,this work presents the theoretical framework of the SOV methods in an instructive way,and the bisection–based solution procedures for a group of nonlinear eigenvalue equations.Besides,the explicit equations of nodal lines of the SOV methods are presented,and the relations of nodal line patterns and frequency orders are investigated.It is concluded that the highly accurate SOV methods have the same accuracy for all frequencies,the mode shapes about repeated frequencies can also be precisely captured,and the SOV methods do not have the problem of missing roots as well.展开更多
Soil improvement is one of the most important issues in geotechnical engineering practice.The wide application of traditional improvement techniques(cement/chemical materials)are limited due to damage ecological en-vi...Soil improvement is one of the most important issues in geotechnical engineering practice.The wide application of traditional improvement techniques(cement/chemical materials)are limited due to damage ecological en-vironment and intensify carbon emissions.However,the use of microbially induced calcium carbonate pre-cipitation(MICP)to obtain bio-cement is a novel technique with the potential to induce soil stability,providing a low-carbon,environment-friendly,and sustainable integrated solution for some geotechnical engineering pro-blems in the environment.This paper presents a comprehensive review of the latest progress in soil improvement based on the MICP strategy.It systematically summarizes and overviews the mineralization mechanism,influ-encing factors,improved methods,engineering characteristics,and current field application status of the MICP.Additionally,it also explores the limitations and correspondingly proposes prospective applications via the MICP approach for soil improvement.This review indicates that the utilization of different environmental calcium-based wastes in MICP and combination of materials and MICP are conducive to meeting engineering and market demand.Furthermore,we recommend and encourage global collaborative study and practice with a view to commercializing MICP technique in the future.The current review purports to provide insights for engineers and interdisciplinary researchers,and guidance for future engineering applications.展开更多
Bearing is an indispensable key component in mechanical equipment,and its working state is directly related to the stability and safety of the whole equipment.In recent years,with the rapid development of artificial i...Bearing is an indispensable key component in mechanical equipment,and its working state is directly related to the stability and safety of the whole equipment.In recent years,with the rapid development of artificial intelligence technology,especially the breakthrough of deep learning technology,it provides a new idea for bearing fault diagnosis.Deep learning can automatically learn features from a large amount of data,has a strong nonlinear modeling ability,and can effectively solve the problems existing in traditional methods.Aiming at the key problems in bearing fault diagnosis,this paper studies the fault diagnosis method based on deep learning,which not only provides a new solution for bearing fault diagnosis but also provides a reference for the application of deep learning in other mechanical fault diagnosis fields.展开更多
To quantify the seismic resilience of buildings,a method for evaluating functional loss from the component level to the overall building is proposed,and the dual-parameter seismic resilience assessment method based on...To quantify the seismic resilience of buildings,a method for evaluating functional loss from the component level to the overall building is proposed,and the dual-parameter seismic resilience assessment method based on postearthquake loss and recovery time is improved.A threelevel function tree model is established,which can consider the dynamic changes in weight coefficients of different category of components relative to their functional losses.Bayesian networks are utilized to quantify the impact of weather conditions,construction technology levels,and worker skill levels on component repair time.A method for determining the real-time functional recovery curve of buildings based on the component repair process is proposed.Taking a three-story teaching building as an example,the seismic resilience indices under basic earthquakes and rare earthquakes are calculated.The results show that the seismic resilience grade of the teaching building is comprehensively judged as GradeⅢ,and its resilience grade is more significantly affected by postearthquake loss.The proposed method can be used to predict the seismic resilience of buildings prior to earthquakes,identify weak components within buildings,and provide guidance for taking measures to enhance the seismic resilience of buildings.展开更多
Ocean energy has progressively gained considerable interest due to its sufficient potential to meet the world’s energy demand,and the blade is the core component in electricity generation from the ocean current.Howev...Ocean energy has progressively gained considerable interest due to its sufficient potential to meet the world’s energy demand,and the blade is the core component in electricity generation from the ocean current.However,the widened hydraulic excitation frequency may satisfy the blade resonance due to the time variation in the velocity and angle of attack of the ocean current,even resulting in blade fatigue and destructively interfering with grid stability.A key parameter that determines the resonance amplitude of the blade is the hydrodynamic damping ratio(HDR).However,HDR is difficult to obtain due to the complex fluid-structure interaction(FSI).Therefore,a literature review was conducted on the hydrodynamic damping characteristics of blade-like structures.The experimental and simulation methods used to identify and obtain the HDR quantitatively were described,placing emphasis on the experimental processes and simulation setups.Moreover,the accuracy and efficiency of different simulation methods were compared,and the modal work approach was recommended.The effects of key typical parameters,including flow velocity,angle of attack,gap,rotational speed,and cavitation,on the HDR were then summarized,and the suggestions on operating conditions were presented from the perspective of increasing the HDR.Subsequently,considering multiple flow parameters,several theoretical derivations and semi-empirical prediction formulas for HDR were introduced,and the accuracy and application were discussed.Based on the shortcomings of the existing research,the direction of future research was finally determined.The current work offers a clear understanding of the HDR of blade-like structures,which could improve the evaluation accuracy of flow-induced vibration in the design stage.展开更多
The self-assembled nanoparticles(SAN)formed during the decoction process of traditional Chinese medicine(TCM)exhibit non-uniform particle sizes and a tendency for aggregation.Our group found that the p H-driven method...The self-assembled nanoparticles(SAN)formed during the decoction process of traditional Chinese medicine(TCM)exhibit non-uniform particle sizes and a tendency for aggregation.Our group found that the p H-driven method can improve the self-assembly phenomenon of Herpetospermum caudigerum Wall.,and the SAN exhibited uniform particle size and demonstrated good stability.In this paper,we analyzed the interactions between the main active compound,herpetrione(Her),and its main carrier,Herpetospermum caudigerum Wall.polysaccharide(HCWP),along with their self-assembly mechanisms under different p H values.The binding constants of Her and HCWP increase with rising p H,leading to the formation of Her-HCWP SAN with a smaller particle size,higher zeta potential,and improved thermal stability.While the contributions of hydrogen bonding and electrostatic attraction to the formation of Her-HCWP SAN increase with rising p H,the hydrophobic force consistently plays a dominant role.This study enhances our scientific understanding of the self-assembly phenomenon of TCM improved by p H driven method.展开更多
Observatories typically deploy all-sky cameras for monitoring cloud cover and weather conditions.However,many of these cameras lack scientific-grade sensors,r.esulting in limited photometric precision,which makes calc...Observatories typically deploy all-sky cameras for monitoring cloud cover and weather conditions.However,many of these cameras lack scientific-grade sensors,r.esulting in limited photometric precision,which makes calculating the sky area visibility distribution via extinction measurement challenging.To address this issue,we propose the Photometry-Free Sky Area Visibility Estimation(PFSAVE)method.This method uses the standard magnitude of the faintest star observed within a given sky area to estimate visibility.By employing a pertransformation refitting optimization strategy,we achieve a high-precision coordinate transformation model with an accuracy of 0.42 pixels.Using the results of HEALPix segmentation is also introduced to achieve high spatial resolution.Comprehensive analysis based on real allsky images demonstrates that our method exhibits higher accuracy than the extinction-based method.Our method supports both manual and robotic dynamic scheduling,especially under partially cloudy conditions.展开更多
This study aims to develop a chloride diffusion simulation method that considers the hydration microstructure and pore solution properties during the hydration of tricalcium silicate(C3S).The method combines the hydra...This study aims to develop a chloride diffusion simulation method that considers the hydration microstructure and pore solution properties during the hydration of tricalcium silicate(C3S).The method combines the hydration simulation,thermodynamic calculation,and finite element analysis to examine the effects of pore solution,including effect of electrochemical potential,effect of chemical activity,and effect of mechanical interactions between ions,on the chloride effective diffusion coefficient of hydrated C3S paste.The results indicate that the effect of electrochemical potential on chloride diffusion becomes stronger with increasing hydration age due to the increase in the content of hydrated calcium silicate;as the hydration age increases,the effect of chemical activity on chloride diffusion weakens when the number of diffusible elements decreases;the effect of mechanical interactions between ions on chloride diffusion decreases with the increase of hydration age.展开更多
In the independent electro-hydrogen system(IEHS)with hybrid energy storage(HESS),achieving optimal scheduling is crucial.Still,it presents a challenge due to the significant deviations in values ofmultiple optimizatio...In the independent electro-hydrogen system(IEHS)with hybrid energy storage(HESS),achieving optimal scheduling is crucial.Still,it presents a challenge due to the significant deviations in values ofmultiple optimization objective functions caused by their physical dimensions.These deviations seriously affect the scheduling process.A novel standardization fusion method has been established to address this issue by analyzing the variation process of each objective function’s values.The optimal scheduling results of IEHS with HESS indicate that the economy and overall energy loss can be improved 2–3 times under different optimization methods.The proposed method better balances all optimization objective functions and reduces the impact of their dimensionality.When the cost of BESS decreases by approximately 30%,its participation deepens by about 1 time.Moreover,if the price of the electrolyzer is less than 15¥/kWh or if the cost of the fuel cell drops below 4¥/kWh,their participation will increase substantially.This study aims to provide a more reasonable approach to solving multi-objective optimization problems.展开更多
基金the National Natural Science Foundation of China(Grant Nos.52104133 and 52304227)the Postdoctoral Foundation of Henan Province(Grant No.HN2022015)are appreciated.
文摘To obtain the precise calculation method for the peak energy density and energy evolution properties of rocks subjected to uniaxial compression(UC)before the post-peak stage,particularly at s0.9sc(s denotes stress and sc is the peak strength),extensive UC and uniaxial graded cyclical loading-unloading(GCLU)tests were performed on four rock types.In the GCLU tests,four unloading stress levels were designated when σ<0.9σc and six unloading stress levels were designated forσ≥0.9σc.The variations in the elastic energy density(ue),dissipative energy density(ud),and energy storage efficiency(C)for the four rock types under GCLU tests were analyzed.Based on the variation of ue whenσ≥0:9σc,a method for calculating the peak energy density was proposed.The energy evolution in rock under UC condition before the post-peak stage was examined.The relationship between C0.9(C atσ≥0:9σc)and mechanical behavior of rocks was explored,and the damage evolution of rock was analyzed in view of energy.Compared with that of the three existing methods,the accuracy of the calculation method of peak energy density proposed in this study is higher.These findings could provide a theoretical foundation for more accurately revealing the failure behavior of rock from an energy perspective.
基金National Natural Science Foundation of China （90405016, 10676028） 973 Program （2006CB601205）+1 种基金 863 Project （2006AA04Z 122） Aeronautical Science Foundation （04B53080, 2006ZA 53006） and 111 Project （B07050）
文摘Sensitivity analysis and topology optimization of microstructures using strain energy-based method is presented. Compared with homogenization method, the strain energy-based method has advantages of higher computing efficiency and simplified programming. Both the dual convex programming method and perimeter constraint scheme are used to optimize the 2D and 3D microstructures. Numerical results indicate that the strain energy-based method has the same effectiveness as that of homogenization method for orthotropic materials.
基金supported by the National Natural Science Foundation of China(No.22273038 and No.22033004).
文摘Electronic circular dichroism(ECD)spectrum is an important tool for as-sessing molecular chirality.Tradition-al methods,like linear response time-dependent density functional theory(LR-TDDFT),predict ECD spectra well for small or medium-sized molecules,but struggle with large sys-tems due to high computational costs,making it a significant challenge to ac-curately and efficiently predict the ECD properties of complex systems.Within the framework of the generalized energy-based fragmentation(GEBF)method for localized excited states(ESs)calculation,we propose a combination algorithm for calculating rotatory strengths of ESs in condensed phase systems.This algorithm estimates the rotatory strength of the total system by calculating and combin-ing the transition electric and magnetic dipole moments of subsystems.We have used the GEBF method to calculate the ECD properties of chiral drug molecule derivatives,green fluo-rescent protein,and cyclodextrin derivatives,and compared their results with traditional methods or experimental data.The results show that this method can efficiently and accu-rately predict the ECD spectra of these systems.Thus,the GEBF method for ECD spectra demonstrates great potential in the chiral analysis of complex systems and chiral material design,promising to become a powerful theoretical tool in chiral chemistry.
基金supported by the National Key R&D Program of China(No.2023YFB3712504)the National Natural Science Foundation of China(Nos.22273038,22073043,and 22033004)。
文摘Accurate description of noncova-lent interactions in large systems is challenging due to the require-ment of high-level electron corre-lation methods.The generalized energy-based fragmentation(GEBF)approach,in conjunc-tion with the domain-based local pair natural orbital(DLPNO)method,has been applied to assess the average binding energies(ABEs)of large benzene clus-ters,specifically(C6H6)13,at the coupled cluster singles and doubles with perturbative triples correction[CCSD(T)]level and the complete basis set(CBS)limit.Utilizing GEBF-DLPNO-CCSD(T)/CBS ABEs as benchmarks,various DFT functionals were evaluated.It was found that several functionals with empirical dispersion correction,including M06-2X-D3,B3LYP-D3(BJ),and PBE-D3(BJ),provide accurate descriptions of the ABEs for(C6H6)13 clusters.Additionally,the M06-2X-D3 functional was used to calculate the ABEs and relative stabili-ties of(C6H6)n clusters for n=11,12,13,14,and 15 revealing that the(C6H6)13 cluster ex-hibits the highest relative stability.These findings align with experimental evidence suggest-ing that n=13 is one of the magic numbers for benzene clusters(C6H6)n,with n≤30.
基金supported by the National Natural Science Foundation of China (Grant No.52279116,Grant No.52109142)the Key projects of the Yalong River Joint Fund of the National Natural Science Foundation of China (Grant No.U1865203)。
文摘Deep high-energy rock masses are susceptible to dynamic and static disasters in underground caverns when stress waves superimpose on them. Scientifically evaluating the stability of surrounding rock mass under such conditions is fundamental for predicting and preventing related hazards. This study combines laboratory dynamic disturbance tests with numerical simulations to analyze changes in the three-dimensional stress state of surrounding rock caused by stress waves. It was found that stress waves not only alter the magnitude of unit stresses but also cause rotation of the principal stress axes. Based on the failure approach index(FAI), a new dynamic response evaluation index for brittle surrounding rock—the Energy Hazard Index(FAI_(E)) is proposed from an energy perspective. This index can derive functional expressions based on different strength criteria, offering good extensibility. Using the Mohr-Coulomb strength criterion as an example, the specific functional expression of FAI_(E) is provided. Comparison with experimental results confirms that the evaluation outcomes align with the dynamic response characteristics of surrounding rock mass, simultaneously considering both tensile and shear failure modes. Parameter sensitivity tests demonstrate the applicability of the index under complex conditions. Furthermore, the relationship between FAIE and commonly used dynamic disturbance evaluation parameters—such as Peak Particle Velocity(PPV)—has been examined, demonstrating that FAIE provides a more accurate and direct assessment of stability. Finally, a rapid engineering application method for FAIE is presented. The research findings hold significant importance for future stability evaluation and support design of surrounding rock in deep underground engineering projects.
文摘A procedure is proposed whereby input and hysteretic energy spectra developed for single-degree-of-freedom （SDOF） systems are applied to multi-degree-of-freedom （MDOF） steel moment resisting frames. The proposed procedure is verified using four frames, viz., frame with three-, five-, seven- and nine-stories, each of which is subjected to the fault- normal and fault-parallel components of three actual earthquakes. A very good estimate for the three- and five-story frames, and a reasonably acceptable estimate for the seven-, and nine-story frames, have been obtained. A method for distributing the hysteretic energy over the frame height is also proposed. This distribution scheme allows for the determination of the energy demand component of a proposed energy-based seismic design （EBSD） procedure for each story. To address the capacity component of EBSD, a story-wise optimization design procedure is developed by utilizing the energy dissipating capacity from plastic hinge formation/rotation for these moment frames. The proposed EBSD procedure is demonstrated in the design of a three-story one-bay steel moment frame.
基金funded by the project of the Major Scientific and Technological Projects of CNOOC in the 14th Five-Year Plan(No.KJGG2022-0701)the CNOOC Research Institute(No.2020PFS-03).
文摘To analyze the differences in the transport and distribution of different types of proppants and to address issues such as the short effective support of proppant and poor placement in hydraulically intersecting fractures,this study considered the combined impact of geological-engineering factors on conductivity.Using reservoir production parameters and the discrete elementmethod,multispherical proppants were constructed.Additionally,a 3D fracture model,based on the specified conditions of the L block,employed coupled(Computational Fluid Dynamics)CFD-DEM(Discrete ElementMethod)for joint simulations to quantitatively analyze the transport and placement patterns of multispherical proppants in intersecting fractures.Results indicate that turbulent kinetic energy is an intrinsic factor affecting proppant transport.Moreover,the efficiency of placement and migration distance of low-sphericity quartz sand constructed by the DEM in the main fracture are significantly reduced compared to spherical ceramic proppants,with a 27.7%decrease in the volume fraction of the fracture surface,subsequently affecting the placement concentration and damaging fracture conductivity.Compared to small-angle fractures,controlling artificial and natural fractures to expand at angles of 45°to 60°increases the effective support length by approximately 20.6%.During hydraulic fracturing of gas wells,ensuring the fracture support area and post-closure conductivity can be achieved by controlling the sphericity of proppants and adjusting the perforation direction to control the direction of artificial fractures.
基金supported by the Innovation Foundation of Provincial Education Department of Gansu(2024B-005)the Gansu Province National Science Foundation(22YF7GA182)the Fundamental Research Funds for the Central Universities(No.lzujbky2022-kb01)。
文摘Modal parameters can accurately characterize the structural dynamic properties and assess the physical state of the structure.Therefore,it is particularly significant to identify the structural modal parameters according to the monitoring data information in the structural health monitoring(SHM)system,so as to provide a scientific basis for structural damage identification and dynamic model modification.In view of this,this paper reviews methods for identifying structural modal parameters under environmental excitation and briefly describes how to identify structural damages based on the derived modal parameters.The paper primarily introduces data-driven modal parameter recognition methods(e.g.,time-domain,frequency-domain,and time-frequency-domain methods,etc.),briefly describes damage identification methods based on the variations of modal parameters(e.g.,natural frequency,modal shapes,and curvature modal shapes,etc.)and modal validation methods(e.g.,Stability Diagram and Modal Assurance Criterion,etc.).The current status of the application of artificial intelligence(AI)methods in the direction of modal parameter recognition and damage identification is further discussed.Based on the pre-vious analysis,the main development trends of structural modal parameter recognition and damage identification methods are given to provide scientific references for the optimized design and functional upgrading of SHM systems.
文摘This study investigated the physicochemical properties,enzyme activities,volatile flavor components,microbial communities,and sensory evaluation of high-temperature Daqu(HTD)during the maturation process,and a standard system was established for comprehensive quality evaluation of HTD.There were obvious changes in the physicochemical properties,enzyme activities,and volatile flavor components at different storage periods,which affected the sensory evaluation of HTD to a certain extent.The results of high-throughput sequencing revealed significant microbial diversity,and showed that the bacterial community changed significantly more than did the fungal community.During the storage process,the dominant bacterial genera were Kroppenstedtia and Thermoascus.The correlation between dominant microorganisms and quality indicators highlighted their role in HTD quality.Lactococcus,Candida,Pichia,Paecilomyces,and protease activity played a crucial role in the formation of isovaleraldehyde.Acidic protease activity had the greatest impact on the microbial community.Moisture promoted isobutyric acid generation.Furthermore,the comprehensive quality evaluation standard system was established by the entropy weight method combined with multi-factor fuzzy mathematics.Consequently,this study provides innovative insights for comprehensive quality evaluation of HTD during storage and establishes a groundwork for scientific and rational storage of HTD and quality control of sauce-flavor Baijiu.
基金funded by the National Key R&D Program of China(Grant No.2022YFC2903904)the National Natural Science Foundation of China(Grant Nos.51904057 and U1906208).
文摘Due to the heterogeneity of rock masses and the variability of in situ stress,the traditional linear inversion method is insufficiently accurate to achieve high accuracy of the in situ stress field.To address this challenge,nonlinear stress boundaries for a numerical model are determined through regression analysis of a series of nonlinear coefficient matrices,which are derived from the bubbling method.Considering the randomness and flexibility of the bubbling method,a parametric study is conducted to determine recommended ranges for these parameters,including the standard deviation(σb)of bubble radii,the non-uniform coefficient matrix number(λ)for nonlinear stress boundaries,and the number(m)and positions of in situ stress measurement points.A model case study provides a reference for the selection of these parameters.Additionally,when the nonlinear in situ stress inversion method is employed,stress distortion inevitably occurs near model boundaries,aligning with the Saint Venant's principle.Two strategies are proposed accordingly:employing a systematic reduction of nonlinear coefficients to achieve high inversion accuracy while minimizing significant stress distortion,and excluding regions with severe stress distortion near the model edges while utilizing the central part of the model for subsequent simulations.These two strategies have been successfully implemented in the nonlinear in situ stress inversion of the Xincheng Gold Mine and have achieved higher inversion accuracy than the linear method.Specifically,the linear and nonlinear inversion methods yield root mean square errors(RMSE)of 4.15 and 3.2,and inversion relative errors(δAve)of 22.08%and 17.55%,respectively.Therefore,the nonlinear inversion method outperforms the traditional multiple linear regression method,even in the presence of a systematic reduction in the nonlinear stress boundaries.
基金supported by the National Natural Science Foundation of China(12172023).
文摘The separation-of-variable(SOV)methods,such as the improved SOV method,the variational SOV method,and the extended SOV method,have been proposed by the present authors and coworkers to obtain the closed-form analytical solutions for free vibration and eigenbuckling of rectangular plates and circular cylindrical shells.By taking the free vibration of rectangular thin plates as an example,this work presents the theoretical framework of the SOV methods in an instructive way,and the bisection–based solution procedures for a group of nonlinear eigenvalue equations.Besides,the explicit equations of nodal lines of the SOV methods are presented,and the relations of nodal line patterns and frequency orders are investigated.It is concluded that the highly accurate SOV methods have the same accuracy for all frequencies,the mode shapes about repeated frequencies can also be precisely captured,and the SOV methods do not have the problem of missing roots as well.
基金funded by the National Natural Science Foundation of China(No.41962016)the Natural Science Foundation of NingXia(Nos.2023AAC02023,2023A1218,and 2021AAC02006).
文摘Soil improvement is one of the most important issues in geotechnical engineering practice.The wide application of traditional improvement techniques(cement/chemical materials)are limited due to damage ecological en-vironment and intensify carbon emissions.However,the use of microbially induced calcium carbonate pre-cipitation(MICP)to obtain bio-cement is a novel technique with the potential to induce soil stability,providing a low-carbon,environment-friendly,and sustainable integrated solution for some geotechnical engineering pro-blems in the environment.This paper presents a comprehensive review of the latest progress in soil improvement based on the MICP strategy.It systematically summarizes and overviews the mineralization mechanism,influ-encing factors,improved methods,engineering characteristics,and current field application status of the MICP.Additionally,it also explores the limitations and correspondingly proposes prospective applications via the MICP approach for soil improvement.This review indicates that the utilization of different environmental calcium-based wastes in MICP and combination of materials and MICP are conducive to meeting engineering and market demand.Furthermore,we recommend and encourage global collaborative study and practice with a view to commercializing MICP technique in the future.The current review purports to provide insights for engineers and interdisciplinary researchers,and guidance for future engineering applications.
文摘Bearing is an indispensable key component in mechanical equipment,and its working state is directly related to the stability and safety of the whole equipment.In recent years,with the rapid development of artificial intelligence technology,especially the breakthrough of deep learning technology,it provides a new idea for bearing fault diagnosis.Deep learning can automatically learn features from a large amount of data,has a strong nonlinear modeling ability,and can effectively solve the problems existing in traditional methods.Aiming at the key problems in bearing fault diagnosis,this paper studies the fault diagnosis method based on deep learning,which not only provides a new solution for bearing fault diagnosis but also provides a reference for the application of deep learning in other mechanical fault diagnosis fields.
基金The National Key Research and Development Program of China(No.2023YFC3805003)。
文摘To quantify the seismic resilience of buildings,a method for evaluating functional loss from the component level to the overall building is proposed,and the dual-parameter seismic resilience assessment method based on postearthquake loss and recovery time is improved.A threelevel function tree model is established,which can consider the dynamic changes in weight coefficients of different category of components relative to their functional losses.Bayesian networks are utilized to quantify the impact of weather conditions,construction technology levels,and worker skill levels on component repair time.A method for determining the real-time functional recovery curve of buildings based on the component repair process is proposed.Taking a three-story teaching building as an example,the seismic resilience indices under basic earthquakes and rare earthquakes are calculated.The results show that the seismic resilience grade of the teaching building is comprehensively judged as GradeⅢ,and its resilience grade is more significantly affected by postearthquake loss.The proposed method can be used to predict the seismic resilience of buildings prior to earthquakes,identify weak components within buildings,and provide guidance for taking measures to enhance the seismic resilience of buildings.
基金Supported by the National Natural Science Foundation of China(Nos.52222904 and 52309117)China Postdoctoral Science Foundation(Nos.2022TQ0168 and 2023M731895).
文摘Ocean energy has progressively gained considerable interest due to its sufficient potential to meet the world’s energy demand,and the blade is the core component in electricity generation from the ocean current.However,the widened hydraulic excitation frequency may satisfy the blade resonance due to the time variation in the velocity and angle of attack of the ocean current,even resulting in blade fatigue and destructively interfering with grid stability.A key parameter that determines the resonance amplitude of the blade is the hydrodynamic damping ratio(HDR).However,HDR is difficult to obtain due to the complex fluid-structure interaction(FSI).Therefore,a literature review was conducted on the hydrodynamic damping characteristics of blade-like structures.The experimental and simulation methods used to identify and obtain the HDR quantitatively were described,placing emphasis on the experimental processes and simulation setups.Moreover,the accuracy and efficiency of different simulation methods were compared,and the modal work approach was recommended.The effects of key typical parameters,including flow velocity,angle of attack,gap,rotational speed,and cavitation,on the HDR were then summarized,and the suggestions on operating conditions were presented from the perspective of increasing the HDR.Subsequently,considering multiple flow parameters,several theoretical derivations and semi-empirical prediction formulas for HDR were introduced,and the accuracy and application were discussed.Based on the shortcomings of the existing research,the direction of future research was finally determined.The current work offers a clear understanding of the HDR of blade-like structures,which could improve the evaluation accuracy of flow-induced vibration in the design stage.
基金supported by the National Natural Science Foundation of China(Nos.81873092,82174074)。
文摘The self-assembled nanoparticles(SAN)formed during the decoction process of traditional Chinese medicine(TCM)exhibit non-uniform particle sizes and a tendency for aggregation.Our group found that the p H-driven method can improve the self-assembly phenomenon of Herpetospermum caudigerum Wall.,and the SAN exhibited uniform particle size and demonstrated good stability.In this paper,we analyzed the interactions between the main active compound,herpetrione(Her),and its main carrier,Herpetospermum caudigerum Wall.polysaccharide(HCWP),along with their self-assembly mechanisms under different p H values.The binding constants of Her and HCWP increase with rising p H,leading to the formation of Her-HCWP SAN with a smaller particle size,higher zeta potential,and improved thermal stability.While the contributions of hydrogen bonding and electrostatic attraction to the formation of Her-HCWP SAN increase with rising p H,the hydrophobic force consistently plays a dominant role.This study enhances our scientific understanding of the self-assembly phenomenon of TCM improved by p H driven method.
基金supported by Natural Science Foundation of Jilin Province(20210101468JC)Chinese Academy of Sciences and Local Government Cooperation Project(2023SYHZ0027,23SH04)National Natural Science Foundation of China(12273063&12203078)。
文摘Observatories typically deploy all-sky cameras for monitoring cloud cover and weather conditions.However,many of these cameras lack scientific-grade sensors,r.esulting in limited photometric precision,which makes calculating the sky area visibility distribution via extinction measurement challenging.To address this issue,we propose the Photometry-Free Sky Area Visibility Estimation(PFSAVE)method.This method uses the standard magnitude of the faintest star observed within a given sky area to estimate visibility.By employing a pertransformation refitting optimization strategy,we achieve a high-precision coordinate transformation model with an accuracy of 0.42 pixels.Using the results of HEALPix segmentation is also introduced to achieve high spatial resolution.Comprehensive analysis based on real allsky images demonstrates that our method exhibits higher accuracy than the extinction-based method.Our method supports both manual and robotic dynamic scheduling,especially under partially cloudy conditions.
基金Funded by the Natural Science Foundation of Jiangsu Province(No.BK20241529)China Postdoctoral Science Foundation(No.2024M750736)。
文摘This study aims to develop a chloride diffusion simulation method that considers the hydration microstructure and pore solution properties during the hydration of tricalcium silicate(C3S).The method combines the hydration simulation,thermodynamic calculation,and finite element analysis to examine the effects of pore solution,including effect of electrochemical potential,effect of chemical activity,and effect of mechanical interactions between ions,on the chloride effective diffusion coefficient of hydrated C3S paste.The results indicate that the effect of electrochemical potential on chloride diffusion becomes stronger with increasing hydration age due to the increase in the content of hydrated calcium silicate;as the hydration age increases,the effect of chemical activity on chloride diffusion weakens when the number of diffusible elements decreases;the effect of mechanical interactions between ions on chloride diffusion decreases with the increase of hydration age.
基金sponsored by R&D Program of Beijing Municipal Education Commission(KM202410009013).
文摘In the independent electro-hydrogen system(IEHS)with hybrid energy storage(HESS),achieving optimal scheduling is crucial.Still,it presents a challenge due to the significant deviations in values ofmultiple optimization objective functions caused by their physical dimensions.These deviations seriously affect the scheduling process.A novel standardization fusion method has been established to address this issue by analyzing the variation process of each objective function’s values.The optimal scheduling results of IEHS with HESS indicate that the economy and overall energy loss can be improved 2–3 times under different optimization methods.The proposed method better balances all optimization objective functions and reduces the impact of their dimensionality.When the cost of BESS decreases by approximately 30%,its participation deepens by about 1 time.Moreover,if the price of the electrolyzer is less than 15¥/kWh or if the cost of the fuel cell drops below 4¥/kWh,their participation will increase substantially.This study aims to provide a more reasonable approach to solving multi-objective optimization problems.
