Parameter calculation and result storage, as two necessary steps in phase-field simulation play an important role in ensuring the accuracy of simulation results. A strategy of parameter calculation and result storage ...Parameter calculation and result storage, as two necessary steps in phase-field simulation play an important role in ensuring the accuracy of simulation results. A strategy of parameter calculation and result storage is presented for phase-field simulation in α-Mg dendrite growth of Mg-5-wt% Zn alloy under isothermal solidification. Based on the phase diagram and empirical formulas, key parameters of the phase-field model, such as equilibrium partition coefficient k, liquidus slope m, solutal diffusion coefficient in liquid Dl, and solutal diffusion coefficient in solid Ds, can be obtained.Both structured grid method and structured point method can be used to store simulation results, but using the latter method will reduce about 60% storage space and 37.5% storage time compared with the former. Finally, convergent simulation results of α-Mg dendrite growth are obtained and they are in good agreement with the experimental results about optical micrograph, which verify the accuracy of parameters and stability of storage method.展开更多
In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpr...In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpressed as follows:Gm^E=xAxB[(λ11+λ12T)+(λ21+λ22T)xB]The calculation of the model parameters, λ11, λ12, λ21and λ22, was carried out numerically from the phase diagrams for 11 alkali metal-alkali halide or alkali earth metal-halide systems. In addition, artificial neural network trained by known data has been used to predict the values of these model parameters. The predicted results are in good agreement with the .calculated ones. The applicability of the subregular solution model to the alkali metal-alkali halide or alkali earth metal-halide systems were tested by comparing the available experimental composition along the boundary of miscibility gap with the calculated ones which were obtained by using genetic algorithm. The good agreement between the calculated and experimental results across the entire liquidus is valid evidence in support of the model.展开更多
Estimating the intention of space objects plays an important role in air-craft design,aviation safety,military and otherfields,and is an important refer-ence basis for air situation analysis and command decision-making...Estimating the intention of space objects plays an important role in air-craft design,aviation safety,military and otherfields,and is an important refer-ence basis for air situation analysis and command decision-making.This paper studies an intention estimation method based on fuzzy theory,combining prob-ability to calculate the intention between two objects.This method takes a space object as the origin of coordinates,observes the target’s distance,speed,relative heading angle,altitude difference,steering trend and etc.,then introduces the spe-cific calculation methods of these parameters.Through calculation,values are input into the fuzzy inference model,andfinally the action intention of the target is obtained through the fuzzy rule table and historical weighted probability.Ver-ified by simulation experiment,the target intention inferred by this method is roughly the same as the actual behavior of the target,which proves that the meth-od for identifying the target intention is effective.展开更多
By integrating advanced digital technologies such as cloud computing and the Internet of Things in sensor measurement,information communication,and other fields,the digital DC distribution network can efficiently and ...By integrating advanced digital technologies such as cloud computing and the Internet of Things in sensor measurement,information communication,and other fields,the digital DC distribution network can efficiently and reliably access DistributedGenerator(DG)and Energy Storage Systems(ESS),exhibiting significant advantages in terms of controllability and meeting requirements of Plug-and-Play(PnP)operations.However,during device plug-in and-out processes,improper systemparametersmay lead to small-signal stability issues.Therefore,before executing PnP operations,conducting stability analysis and adjusting parameters swiftly is crucial.This study introduces a four-stage strategy for parameter optimization to enhance systemstability efficiently.In the first stage,state-of-the-art technologies in measurement and communication are utilized to correct model parameters.Then,a novel indicator is adopted to identify the key parameters that influence stability in the second stage.Moreover,in the third stage,a local-parameter-tuning strategy,which leverages rapid parameter boundary calculations as a more efficient alternative to plotting root loci,is used to tune the selected parameters.Considering that the local-parameter-tuning strategy may fail due to some operating parameters being limited in adjustment,a multiparameter-tuning strategy based on the particle swarm optimization(PSO)is proposed to comprehensively adjust the dominant parameters to improve the stability margin of the system.Lastly,system stability is reassessed in the fourth stage.The proposed parameter-optimization strategy’s effectiveness has been validated through eigenvalue analysis and nonlinear time-domain simulations.展开更多
To accurately control the full-span erection of continuous steel box girder bridges with complex cross-sections and long cantilevers, both the augmented finite element method(A-FEM) and the degenerated plate elements ...To accurately control the full-span erection of continuous steel box girder bridges with complex cross-sections and long cantilevers, both the augmented finite element method(A-FEM) and the degenerated plate elements are adopted in this paper. The entire construction process is simulated by the A-FEM with the mesh-separation-based approximation technique, while the degenerated plate elements are constructed based on 3D isoparametric elements, making it suitable for analysis of a thin-walled structure. This method significantly improves computational efficiency by avoiding numerous degrees of freedom(DoFs) when analyzing complex structures. With characteristics of the full-span erection technology, the end-face angle of adjacent girder segments, the preset distance of girder segments from the design position, and the temperature difference are selected as control parameters, and they are calculated through the structural response of each construction stage. Engineering practice shows that the calculation accuracy of A-FEM is verified by field-measured results. It can be applied rapidly and effectively to evaluate the matching state of girder segments and the stress state of bearings as well as the thermal effect during full-span erection.展开更多
A deep foundation pit constructed for an underground transportation hub was excavated near the Yangtze River. Among the strata, there are two confined aquifers, between which lies an aquiclude that is partially missin...A deep foundation pit constructed for an underground transportation hub was excavated near the Yangtze River. Among the strata, there are two confined aquifers, between which lies an aquiclude that is partially missing. To guarantee the safety of pit excavation, the piezometric head of the upper confined aquifer, where the pit bottom is located, should be 1 m below the pit bottom, while that of the lower confined aquifer should be dewatered down to a safe water level to avoid uplift problem. The Yangtze River levee is notably close to the pit, and its deformation caused by dewatering should be controlled. A pumping test was performed to obtain the hydraulic conductivity of the upper confined aquifer. The average value of the hydraulic conductivity obtained from analytical calculation is 20.45 m/d, which is larger than the values from numerical simulation（horizontal hydraulic conductivity K_H = 16 m/d and vertical hydraulic conductivity K_V = S m/d）. The difference between K_H and K_V indicates the anisotropy of the aquifer. Two dewatering schemes were designed for the construction and simulated by the numerical models for comparison purposes. The results show that though the first scheme could meet the dewatering requirements, the largest accumulated settlement and differential settlement would be94.64 mm and 3.3‰, respectively, greatly exceeding the limited values. Meanwhile, the second scheme,in which the bottoms of the waterproof curtains in ramp B and the river side of ramp A are installed at a deeper elevation of-28 m above sea level, and 27 recharge wells are set along the levee, can control the deformation of the levee significantly.展开更多
The effect zones of layer face for RCC （rolled control concrete） dam have gradual change characteristics. Based on the analysis thought of complex material, a model was built to analyze above principle of RCC dam by...The effect zones of layer face for RCC （rolled control concrete） dam have gradual change characteristics. Based on the analysis thought of complex material, a model was built to analyze above principle of RCC dam by use of series-wound and shunt-wound connection. Some methods were proposed to determine the instantaneous Young＇s modulus, delayed Young＇s modulus and viscosity coefficient of effect zones of layer face. Above models and methods were used to mine the principle of gradual change of key calculation parameters which can response the characteristics of effect zones. The principle of gradual change was described. A model was established to analyze the threedimensional viscoelastic problem of RCC dam. Above programs were developed. The examples show that the proposed models and methods to determine the key calculation parameters of effect zones can reflect the status of RCC dam accurately.展开更多
This paper calculates the parameters of image position and orientation,proposes a mathematical model and adopts a new method with three steps of transformations based on parallel ray projection.Every step of the model...This paper calculates the parameters of image position and orientation,proposes a mathematical model and adopts a new method with three steps of transformations based on parallel ray projection.Every step of the model is strict,and the map function of each transformation is the first order polynomials and other simple function.The final calculation of the parameters is for the linear equations with good status.As a result,the problem of the relativity of image parameter calculation is solved completely.Some experiments are carried out.展开更多
With the development of aviation industry,civil aviation has become an indispensable part.Our team will take all the structural dimensions,loads and material parameters in the wing beam structure as the specific value...With the development of aviation industry,civil aviation has become an indispensable part.Our team will take all the structural dimensions,loads and material parameters in the wing beam structure as the specific values determined during the structural design to conduct deflection analysis on the wing beam structure of A380 passenger plane.According to the deflection and parameters analyzed,the stress distribution and maximum stress position on the wing beam can be known.Through the analysis of the wing parameters,the finite element analysis of the wing beam,the mesh sensitivity analysis,and the analysis of the wing tip deflection,the relevant safety factors of the aircraft are obtained.The results show that the wing of airbus A380 is more reliable and safer through the calculation of deflection,stress and safety factor.展开更多
This article aims to discuss the design process of the CAD system dedicated for sport bike frame structure, introducing in detail its design concept and the scheme of implementation. Based on the different usages of s...This article aims to discuss the design process of the CAD system dedicated for sport bike frame structure, introducing in detail its design concept and the scheme of implementation. Based on the different usages of sport bikes and the requirements on the system made out by Beijing Hanglun Sport Apparatus Company Limited. Structural analysis on two types of bikes frames is carried out. The system defines the basic design parameters and analyses the constraint conditions.Then calculating formulas with constraint conditions are derived. The system solves equations with Visual C++ program, realizes input of the original data and output of the results through interactive system. With AutoCAD14.0 as the platform, the system uses VC++ and ObjectARX to realize auto output of bike frame graphics. The system has been put into use. Practice has affirmed that the system抯 convenience, applicability and reliability all have reached the expected goal.展开更多
In some control strategies of the direct-rive permanent magnet generator(DDPMG),the mathematics model is excessively simplified and some complex nonlinear characteristics,such as core saturation and cross-saturation,a...In some control strategies of the direct-rive permanent magnet generator(DDPMG),the mathematics model is excessively simplified and some complex nonlinear characteristics,such as core saturation and cross-saturation,are generally neglected.To solve this problem,this paper utilizes the frozen element permeability method to compute the armature self-and mutual-inductance,permanent magnet d-and q-axis flux varying with d-axis and q-axis current,then an improved model is presented in which the core saturation and cross-saturation between d-axis and q-axis are considered effectively.Based on this model,the method for computing the performance of the generators is also proposed.Taking a 1.5-MW DDPMG as an example,the time-stepping finite element method(T-S FEM) is adopted to analyze the performance with no-load and loaded conditions,the results show a good agreement with the ones obtained by the improved model.Compared with the simplified model,it is demonstrated that the presented model has the high efficiency and reliability and can provide a good reference for optimization design of DDPMG and other PM motors.展开更多
Computational fluid dynamics(CFD)methods are being increasingly used for predicting airflow fields around buildings,but personal computers can still take tens of hours to create a single design using traditional compu...Computational fluid dynamics(CFD)methods are being increasingly used for predicting airflow fields around buildings,but personal computers can still take tens of hours to create a single design using traditional computing models.Considering both accuracy and efficiency,this study compared the performances of the conventional algorithm PIMPLE,fast fluid dynamics(FFD),semi-Lagrangian PISO(SLPISO),and implicit fast fluid dynamics(IFFD)in OpenFOAM for simulating wind flow around buildings.The effects of calculation parameters,including grid resolution,discrete-time step,and calculation time for these methods are analyzed.The results of the simulations are compared with wind tunnel tests.It is found that IFFD and FFD have the fastest calculation speeds,but also have the largest discrepancies with test data.The PIMPLE algorithm has the highest accuracy,but with the slowest calculation speed.The calculation speeds of the FFD,SLPISO,and IFFD models are 6.3,3 and 13.3 times faster than the PIMPLE model,respectively.The calculation accuracy and speed of the SLPISO model are in between those of the IFFD,FFD and PIMPLE models.An appropriate algorithm for a project may be chosen based on the requirements of the project.展开更多
Nineteen preschisanartane-type schinortriterpenoids(SNTs),among which eleven ones were previously undescribed,were isolated from two Schisandra species,S.sphaerandra and S.rubriflora.Their structures were determined u...Nineteen preschisanartane-type schinortriterpenoids(SNTs),among which eleven ones were previously undescribed,were isolated from two Schisandra species,S.sphaerandra and S.rubriflora.Their structures were determined using 1 D and 2 D NMR spectroscopic analyses,NMR data comparison,quantum chemical calculation of NMR parameters,electronic circular dichroism(ECD),X-ray single crystal diffraction,and chemical derivation.Furthermore,structural re-examination of a few previously reported preschisanartane-type SNTs led to the structural revision of preschisanartanin J.Besides,it is suggested that the reported structures of arisanlactone D and schilancidilactone W should be re-checked.Finally,a few isolated SNTs were found to possess neurite outgrowthpromoting activities,and protective activities against neural injuries.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 52074246, 52275390, 52205429, and 52201146)the National Defense Basic Scientific Research Program of China (Grant Nos. JCKY2020408B002 and WDZC2022-12)+1 种基金the Science and Technology Major Project of Shanxi Province, China (Grant Nos. 20191102008 and 20191102007)the Guiding Local Science and Technology Development Projects by the Central Government, China (Grant Nos. YDZJSX2022A025 and YDZJSX2021A027)。
文摘Parameter calculation and result storage, as two necessary steps in phase-field simulation play an important role in ensuring the accuracy of simulation results. A strategy of parameter calculation and result storage is presented for phase-field simulation in α-Mg dendrite growth of Mg-5-wt% Zn alloy under isothermal solidification. Based on the phase diagram and empirical formulas, key parameters of the phase-field model, such as equilibrium partition coefficient k, liquidus slope m, solutal diffusion coefficient in liquid Dl, and solutal diffusion coefficient in solid Ds, can be obtained.Both structured grid method and structured point method can be used to store simulation results, but using the latter method will reduce about 60% storage space and 37.5% storage time compared with the former. Finally, convergent simulation results of α-Mg dendrite growth are obtained and they are in good agreement with the experimental results about optical micrograph, which verify the accuracy of parameters and stability of storage method.
文摘In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpressed as follows:Gm^E=xAxB[(λ11+λ12T)+(λ21+λ22T)xB]The calculation of the model parameters, λ11, λ12, λ21and λ22, was carried out numerically from the phase diagrams for 11 alkali metal-alkali halide or alkali earth metal-halide systems. In addition, artificial neural network trained by known data has been used to predict the values of these model parameters. The predicted results are in good agreement with the .calculated ones. The applicability of the subregular solution model to the alkali metal-alkali halide or alkali earth metal-halide systems were tested by comparing the available experimental composition along the boundary of miscibility gap with the calculated ones which were obtained by using genetic algorithm. The good agreement between the calculated and experimental results across the entire liquidus is valid evidence in support of the model.
基金supported by the National Key R&D Program of China,Grant No.2018YFA0306703 and J2019-V-0001-0092.
文摘Estimating the intention of space objects plays an important role in air-craft design,aviation safety,military and otherfields,and is an important refer-ence basis for air situation analysis and command decision-making.This paper studies an intention estimation method based on fuzzy theory,combining prob-ability to calculate the intention between two objects.This method takes a space object as the origin of coordinates,observes the target’s distance,speed,relative heading angle,altitude difference,steering trend and etc.,then introduces the spe-cific calculation methods of these parameters.Through calculation,values are input into the fuzzy inference model,andfinally the action intention of the target is obtained through the fuzzy rule table and historical weighted probability.Ver-ified by simulation experiment,the target intention inferred by this method is roughly the same as the actual behavior of the target,which proves that the meth-od for identifying the target intention is effective.
基金supported by State Grid Information and Telecommunication Group Scientific and Technological Innovation Project“Research on Power Digital Space Technology System and Key Technologies”(Program No.SGIT0000XMJS2310456).
文摘By integrating advanced digital technologies such as cloud computing and the Internet of Things in sensor measurement,information communication,and other fields,the digital DC distribution network can efficiently and reliably access DistributedGenerator(DG)and Energy Storage Systems(ESS),exhibiting significant advantages in terms of controllability and meeting requirements of Plug-and-Play(PnP)operations.However,during device plug-in and-out processes,improper systemparametersmay lead to small-signal stability issues.Therefore,before executing PnP operations,conducting stability analysis and adjusting parameters swiftly is crucial.This study introduces a four-stage strategy for parameter optimization to enhance systemstability efficiently.In the first stage,state-of-the-art technologies in measurement and communication are utilized to correct model parameters.Then,a novel indicator is adopted to identify the key parameters that influence stability in the second stage.Moreover,in the third stage,a local-parameter-tuning strategy,which leverages rapid parameter boundary calculations as a more efficient alternative to plotting root loci,is used to tune the selected parameters.Considering that the local-parameter-tuning strategy may fail due to some operating parameters being limited in adjustment,a multiparameter-tuning strategy based on the particle swarm optimization(PSO)is proposed to comprehensively adjust the dominant parameters to improve the stability margin of the system.Lastly,system stability is reassessed in the fourth stage.The proposed parameter-optimization strategy’s effectiveness has been validated through eigenvalue analysis and nonlinear time-domain simulations.
基金Project supported by the National Natural Science Foundation of China(Nos.51578496 and 51878603)the Zhejiang Provincial Natural Science Foundation of China(No.LZ16E080001)。
文摘To accurately control the full-span erection of continuous steel box girder bridges with complex cross-sections and long cantilevers, both the augmented finite element method(A-FEM) and the degenerated plate elements are adopted in this paper. The entire construction process is simulated by the A-FEM with the mesh-separation-based approximation technique, while the degenerated plate elements are constructed based on 3D isoparametric elements, making it suitable for analysis of a thin-walled structure. This method significantly improves computational efficiency by avoiding numerous degrees of freedom(DoFs) when analyzing complex structures. With characteristics of the full-span erection technology, the end-face angle of adjacent girder segments, the preset distance of girder segments from the design position, and the temperature difference are selected as control parameters, and they are calculated through the structural response of each construction stage. Engineering practice shows that the calculation accuracy of A-FEM is verified by field-measured results. It can be applied rapidly and effectively to evaluate the matching state of girder segments and the stress state of bearings as well as the thermal effect during full-span erection.
基金financially supported by the doctoral fund of the Ministry of Education of Chinathe Nature Science Foundation of Jiangsu Province, China (Grant Nos. 20130091110020 and BE2015675)
文摘A deep foundation pit constructed for an underground transportation hub was excavated near the Yangtze River. Among the strata, there are two confined aquifers, between which lies an aquiclude that is partially missing. To guarantee the safety of pit excavation, the piezometric head of the upper confined aquifer, where the pit bottom is located, should be 1 m below the pit bottom, while that of the lower confined aquifer should be dewatered down to a safe water level to avoid uplift problem. The Yangtze River levee is notably close to the pit, and its deformation caused by dewatering should be controlled. A pumping test was performed to obtain the hydraulic conductivity of the upper confined aquifer. The average value of the hydraulic conductivity obtained from analytical calculation is 20.45 m/d, which is larger than the values from numerical simulation（horizontal hydraulic conductivity K_H = 16 m/d and vertical hydraulic conductivity K_V = S m/d）. The difference between K_H and K_V indicates the anisotropy of the aquifer. Two dewatering schemes were designed for the construction and simulated by the numerical models for comparison purposes. The results show that though the first scheme could meet the dewatering requirements, the largest accumulated settlement and differential settlement would be94.64 mm and 3.3‰, respectively, greatly exceeding the limited values. Meanwhile, the second scheme,in which the bottoms of the waterproof curtains in ramp B and the river side of ramp A are installed at a deeper elevation of-28 m above sea level, and 27 recharge wells are set along the levee, can control the deformation of the levee significantly.
基金Project supported by the National Natural Science Foundation of China (Nos.50579010, 50539010)the National Basic Research Program of China (973 Program) (No.2002CB412707)the National Basic Research Program of Ministry of Water Resources, China (No.CT200612)
文摘The effect zones of layer face for RCC （rolled control concrete） dam have gradual change characteristics. Based on the analysis thought of complex material, a model was built to analyze above principle of RCC dam by use of series-wound and shunt-wound connection. Some methods were proposed to determine the instantaneous Young＇s modulus, delayed Young＇s modulus and viscosity coefficient of effect zones of layer face. Above models and methods were used to mine the principle of gradual change of key calculation parameters which can response the characteristics of effect zones. The principle of gradual change was described. A model was established to analyze the threedimensional viscoelastic problem of RCC dam. Above programs were developed. The examples show that the proposed models and methods to determine the key calculation parameters of effect zones can reflect the status of RCC dam accurately.
文摘This paper calculates the parameters of image position and orientation,proposes a mathematical model and adopts a new method with three steps of transformations based on parallel ray projection.Every step of the model is strict,and the map function of each transformation is the first order polynomials and other simple function.The final calculation of the parameters is for the linear equations with good status.As a result,the problem of the relativity of image parameter calculation is solved completely.Some experiments are carried out.
基金This paper was supported by Educational Reform Project of Zijin College,Nanjing University of Science and Technology(No.20200101002)。
文摘With the development of aviation industry,civil aviation has become an indispensable part.Our team will take all the structural dimensions,loads and material parameters in the wing beam structure as the specific values determined during the structural design to conduct deflection analysis on the wing beam structure of A380 passenger plane.According to the deflection and parameters analyzed,the stress distribution and maximum stress position on the wing beam can be known.Through the analysis of the wing parameters,the finite element analysis of the wing beam,the mesh sensitivity analysis,and the analysis of the wing tip deflection,the relevant safety factors of the aircraft are obtained.The results show that the wing of airbus A380 is more reliable and safer through the calculation of deflection,stress and safety factor.
文摘This article aims to discuss the design process of the CAD system dedicated for sport bike frame structure, introducing in detail its design concept and the scheme of implementation. Based on the different usages of sport bikes and the requirements on the system made out by Beijing Hanglun Sport Apparatus Company Limited. Structural analysis on two types of bikes frames is carried out. The system defines the basic design parameters and analyses the constraint conditions.Then calculating formulas with constraint conditions are derived. The system solves equations with Visual C++ program, realizes input of the original data and output of the results through interactive system. With AutoCAD14.0 as the platform, the system uses VC++ and ObjectARX to realize auto output of bike frame graphics. The system has been put into use. Practice has affirmed that the system抯 convenience, applicability and reliability all have reached the expected goal.
基金supported by the National Natural Science Foundation of China (Grant Nos. 50977028,51077048)
文摘In some control strategies of the direct-rive permanent magnet generator(DDPMG),the mathematics model is excessively simplified and some complex nonlinear characteristics,such as core saturation and cross-saturation,are generally neglected.To solve this problem,this paper utilizes the frozen element permeability method to compute the armature self-and mutual-inductance,permanent magnet d-and q-axis flux varying with d-axis and q-axis current,then an improved model is presented in which the core saturation and cross-saturation between d-axis and q-axis are considered effectively.Based on this model,the method for computing the performance of the generators is also proposed.Taking a 1.5-MW DDPMG as an example,the time-stepping finite element method(T-S FEM) is adopted to analyze the performance with no-load and loaded conditions,the results show a good agreement with the ones obtained by the improved model.Compared with the simplified model,it is demonstrated that the presented model has the high efficiency and reliability and can provide a good reference for optimization design of DDPMG and other PM motors.
基金supported by the National Key R&D Project“Research on key technologies for environmental protection and energy saving of industrial buildings with high pollution emission”(No.2018YFC0705300)the National Natural Science Foundation of China Youth Fund Project“Fast reverse identification of indoor multiple gaseous pollutant sources”(No.51708084)+1 种基金the joint research project of the Wind Engineering Research Center,Tokyo Polytechnic University(MEXT(Japan)Promotion of Distinctive Joint Research Center Program grant number:JPMXP0619217840,JURC grant number:192013).
文摘Computational fluid dynamics(CFD)methods are being increasingly used for predicting airflow fields around buildings,but personal computers can still take tens of hours to create a single design using traditional computing models.Considering both accuracy and efficiency,this study compared the performances of the conventional algorithm PIMPLE,fast fluid dynamics(FFD),semi-Lagrangian PISO(SLPISO),and implicit fast fluid dynamics(IFFD)in OpenFOAM for simulating wind flow around buildings.The effects of calculation parameters,including grid resolution,discrete-time step,and calculation time for these methods are analyzed.The results of the simulations are compared with wind tunnel tests.It is found that IFFD and FFD have the fastest calculation speeds,but also have the largest discrepancies with test data.The PIMPLE algorithm has the highest accuracy,but with the slowest calculation speed.The calculation speeds of the FFD,SLPISO,and IFFD models are 6.3,3 and 13.3 times faster than the PIMPLE model,respectively.The calculation accuracy and speed of the SLPISO model are in between those of the IFFD,FFD and PIMPLE models.An appropriate algorithm for a project may be chosen based on the requirements of the project.
基金supported by the National Natural Science Foundation of China(No.81903520)the Second Tibetan Plateau Scientific Expedition and Research(STEP)program(No.2019QZKK0502)
文摘Nineteen preschisanartane-type schinortriterpenoids(SNTs),among which eleven ones were previously undescribed,were isolated from two Schisandra species,S.sphaerandra and S.rubriflora.Their structures were determined using 1 D and 2 D NMR spectroscopic analyses,NMR data comparison,quantum chemical calculation of NMR parameters,electronic circular dichroism(ECD),X-ray single crystal diffraction,and chemical derivation.Furthermore,structural re-examination of a few previously reported preschisanartane-type SNTs led to the structural revision of preschisanartanin J.Besides,it is suggested that the reported structures of arisanlactone D and schilancidilactone W should be re-checked.Finally,a few isolated SNTs were found to possess neurite outgrowthpromoting activities,and protective activities against neural injuries.
