Background:Sanhua decoction has significant effects in the treatment of stroke.The study of the Sanhua decoction material benchmark was carried out to analyze the value transfer relationship between the Chinese herbal...Background:Sanhua decoction has significant effects in the treatment of stroke.The study of the Sanhua decoction material benchmark was carried out to analyze the value transfer relationship between the Chinese herbal pieces and the substance benchmark.Methods:Network pharmacology was employed to investigate the potential active components and molecular mechanisms of Sanhua decoction in the treatment of stroke.15 batches of Sanhua decoction lyophilized powder were prepared using traditional formulas and subjected to high-performance liquid chromatography analysis to generate fingerprints of the Sanhua decoction substance benchmarks.Then,a multi-component quantitative analysis method was established,allowing for the simultaneous determination of ten components,to study the transfer of quantity values between pieces and substance benchmarks.Results:60 active ingredients were screened from Sanhua decoction by network pharmacology,of which gallic acid,magnolol honokiol,physcion,and aloe-emodin may have a greater effect than other active components.63 key targets and 134 pathways were predicted as the potential mechanism of Sanhua decoction in treating stroke.The fingerprint similarity of the Sanhua decoction substance benchmarks was found to be good among the 15 batches,confirming the 19 common peaks.The content of the 10 components was basically consistent.The components’transfer rates were within 30%of their respective means.Conclusions:This study provided a comprehensive and reliable strategy for the quality evaluation of Sanhua decoction substance benchmarks and held significant importance in improving its application value.展开更多
The challenge of high temperatures in deep mining remains harmful to the health of workers and their production efficiency The addition of phase change materials (PCMs) to filling slurry and the use of the cold storag...The challenge of high temperatures in deep mining remains harmful to the health of workers and their production efficiency The addition of phase change materials (PCMs) to filling slurry and the use of the cold storage function of these materials to reduce downhole temperatures is an effective approach to alleviate the aforementioned problem.Paraffin–CaCl_(2)·6H_(2)O composite PCM was prepared in the laboratory.The composition,phase change latent heat,thermal conductivity,and cemented tailing backfill (CTB) compressive strength of the new material were studied.The heat transfer characteristics and endothermic effect of the PCM were simulated using Fluent software.The results showed the following:(1) The new paraffin–CaCl_(2)·6H_(2)O composite PCM improved the thermal conductivity of native paraffin while avoiding the water solubility of CaCl_(2)·6H_(2)O.(2) The calculation formula of the thermal conductivity of CaCl_(2)·6H_(2)O combined with paraffin was deduced,and the reasons were explained in principle.(3) The“enthalpy–mass scale model”was applied to calculate the phase change latent heat of nonreactive composite PCMs.(4)The addition of the paraffin–CaCl_(2)·6H_(2)O composite PCM reduced the CTB strength but increased its heat absorption capacity.This research can give a theoretical foundation for the use of heat storage backfill in green mines.展开更多
With the recent developments in computing technology, increased efforts have gone into simulation of various scientific methods and phenomenon in engineering fields. One such case is the simulation of heat and mass tr...With the recent developments in computing technology, increased efforts have gone into simulation of various scientific methods and phenomenon in engineering fields. One such case is the simulation of heat and mass transfer in capillary porous media, which is becoming more and more important in analysing various scenarios in engineering applications. Analysing such heat and mass transfer phenomenon in a given environment requires us to simulate it. This entails simulation of coupled heat mass transfer equations. However, this process of numerical solution of heat and mass transfer equations is very much time consuming. Therefore, this paper aims at utilizing one of the acceleration techniques developed in the graphics community that exploits a graphics processing unit (GPU) which is applied to the numerical solutions of heat and mass transfer equations. The nVidia Compute Unified Device Architecture (CUDA) programming model caters a good method of applying parallel computing to program the graphical processing unit. This paper shows a good improvement in the performance while solving the heat and mass transfer equations for capillary porous composite cylinder with the second kind of boundary conditions numerically running on GPU. This heat and mass transfer simulation is implemented using CUDA platform on nVidia Quadro FX 4800 graphics card. Our experimental results depict the drastic performance improvement when GPU is used to perform heat and mass transfer simulation. GPU can significantly accelerate the performance with a maximum observed speedup of more than 7-fold times. Therefore, the GPU is a good approach to accelerate the heat and mass transfer simulation.展开更多
With the latest advances in computing technology, a huge amount of efforts have gone into simulation of a range of scientific phenomena in engineering fields. One such case is the simulation of heat and mass transfer ...With the latest advances in computing technology, a huge amount of efforts have gone into simulation of a range of scientific phenomena in engineering fields. One such case is the simulation of heat and mass transfer in capillary porous media, which is becoming more and more necessary in analyzing a number of eventualities in science and engineering applications. However, this procedure of numerical solution of heat and mass transfer equations for capillary porous media is very time consuming. Therefore, this paper pursuit is at making use of one of the acceleration methods developed in the graphics community that exploits a graphical processing unit (GPU), which is applied to the numerical solutions of such heat and mass transfer equations. The nVidia Compute Unified Device Architecture (CUDA) programming model offers a correct approach of applying parallel computing to applications with graphical processing unit. This paper suggests a true improvement in the performance while solving the heat and mass transfer equations for capillary porous radially composite cylinder with the first type of boundary conditions. This heat and mass transfer simulation is carried out through the usage of CUDA platform on nVidia Quadro FX 4800 graphics card. Our experimental outcomes exhibit the drastic overall performance enhancement when GPU is used to illustrate heat and mass transfer simulation. GPU can considerably accelerate the performance with a maximum found speedup of more than 5-fold times. Therefore, the GPU is a good strategy to accelerate the heat and mass transfer simulation in porous media.展开更多
For deep-space mission design,the gravity of the Sun and the Moon can be first considered and utilized.Their gravity can provide the energy change for launching spacecraft and retrieving spacecraft as well as asteroid...For deep-space mission design,the gravity of the Sun and the Moon can be first considered and utilized.Their gravity can provide the energy change for launching spacecraft and retrieving spacecraft as well as asteroids.Regarding an asteroid retrieval mission,it can lead to the mitigation of asteroid hazards and an easy exploration and exploitation of the asteroid.This paper discusses the application of the Sun-driven lunar swingby sequence for asteroid missions.Characterizing the capacity of this technique is not only interesting in terms of the dynamic insights but also non-trivial for trajectory design.The capacity of a Sun-driven lunar swingby sequence is elucidated in this paper with the help of the“Swingby-Jacobi”graph.The capacity can be represented by a range of the Jacobi integral that encloses around 660 asteroids currently cataloged.To facilitate trajectory design,a database of Sun-perturbed Moon-to-Moon transfers,including multi-revolution cases,is generated and employed.Massive trajectory options for spacecraft launch and asteroid capture can then be explored and optimized.Finally,a number of asteroid flyby,rendezvous,sample-return,and retrieval mission options enabled by the proposed technique are obtained.展开更多
Triplet-triplet energy transfer in fluorene dimer with electronic structure calculations. The two is investigated by combining rate theories key parameters for the control of energy transfer, electronic coupling and r...Triplet-triplet energy transfer in fluorene dimer with electronic structure calculations. The two is investigated by combining rate theories key parameters for the control of energy transfer, electronic coupling and reorganization energy, are calculated based on the diabatic states constructed by the constrained density functional theory. The fluctuation of the electronic coupling is further revealed by molecular dynamics simulation. Succeedingly, the diagonal and off-diagonal fluctuations of the Hamiltonian are mapped from the correlation functions of those parameters, and the rate is then estimated both from the perturbation theory and wavepacket diffusion method. The results manifest that both the static and dynamic fluctuations enhance the rate significantly, but the rate from the dynamic fluctuation is smaller than that from the static fluctuation.展开更多
In the pioneering work by R.A.Marcus,the solvation effect on electron transfer(ET)processes was investigated,giving rise to the celebrated nonadiabatic ET rate formula.In this work,on the basis of the thermodynamic so...In the pioneering work by R.A.Marcus,the solvation effect on electron transfer(ET)processes was investigated,giving rise to the celebrated nonadiabatic ET rate formula.In this work,on the basis of the thermodynamic solvation potentials analysis,we reexamine Marcus’formula with respect to the Rice-Ramsperger-Kassel-Marcus(RRKM)theory.Interestingly,the obtained RRKM analogue,which recovers the original Marcus’rate that is in a linear solvation scenario,is also applicable to the nonlinear solvation scenarios,where the multiple curve-crossing of solvation potentials exists.Parallelly,we revisit the corresponding Fermi’s golden rule results,with some critical comments against the RRKM analogue proposed in this work.For illustration,we consider the quadratic solvation scenarios,on the basis of physically well-supported descriptors.展开更多
Circuits with switched current are described by an admittance matrix and seeking current transfers then means calculating the ratio of algebraic supplements of this matrix. As there are also graph methods of circuit a...Circuits with switched current are described by an admittance matrix and seeking current transfers then means calculating the ratio of algebraic supplements of this matrix. As there are also graph methods of circuit analysis in addition to algebraic methods, it is clearly possible in theory to carry out an analysis of the whole switched circuit in two-phase switching exclusively by the graph method as well. For this purpose it is possible to plot a Mason graph of a circuit, use transformation graphs to reduce Mason graphs for all the four phases of switching, and then plot a summary graph from the transformed graphs obtained this way. First the author draws nodes and possible branches, obtained by transformation graphs for transfers of EE (even-even) and OO (odd-odd) phases. In the next step, branches obtained by transformation graphs for EO and OE phase are drawn between these nodes, while their resulting transfer is 1 multiplied by z^1/2. This summary graph is extended by two branches from input node and to output node, the extended graph can then be interpreted by the Mason's relation to provide transparent current transfers. Therefore it is not necessary to compose a sum admittance matrix and to express this consequently in numbers, and so it is possible to reach the final result in a graphical way.展开更多
基金supported by grants from the Special Project for Transformation of Scientific and Technological Achievements in Qinghai Province(No.2021-SF-150)the National Natural Science Foundation of China(No.82173929).
文摘Background:Sanhua decoction has significant effects in the treatment of stroke.The study of the Sanhua decoction material benchmark was carried out to analyze the value transfer relationship between the Chinese herbal pieces and the substance benchmark.Methods:Network pharmacology was employed to investigate the potential active components and molecular mechanisms of Sanhua decoction in the treatment of stroke.15 batches of Sanhua decoction lyophilized powder were prepared using traditional formulas and subjected to high-performance liquid chromatography analysis to generate fingerprints of the Sanhua decoction substance benchmarks.Then,a multi-component quantitative analysis method was established,allowing for the simultaneous determination of ten components,to study the transfer of quantity values between pieces and substance benchmarks.Results:60 active ingredients were screened from Sanhua decoction by network pharmacology,of which gallic acid,magnolol honokiol,physcion,and aloe-emodin may have a greater effect than other active components.63 key targets and 134 pathways were predicted as the potential mechanism of Sanhua decoction in treating stroke.The fingerprint similarity of the Sanhua decoction substance benchmarks was found to be good among the 15 batches,confirming the 19 common peaks.The content of the 10 components was basically consistent.The components’transfer rates were within 30%of their respective means.Conclusions:This study provided a comprehensive and reliable strategy for the quality evaluation of Sanhua decoction substance benchmarks and held significant importance in improving its application value.
基金financial support provided by the National Natural Science Foundation of China (No. 52174106)the Key Technology Research and Development Program (No. 2022YFC2905102)。
文摘The challenge of high temperatures in deep mining remains harmful to the health of workers and their production efficiency The addition of phase change materials (PCMs) to filling slurry and the use of the cold storage function of these materials to reduce downhole temperatures is an effective approach to alleviate the aforementioned problem.Paraffin–CaCl_(2)·6H_(2)O composite PCM was prepared in the laboratory.The composition,phase change latent heat,thermal conductivity,and cemented tailing backfill (CTB) compressive strength of the new material were studied.The heat transfer characteristics and endothermic effect of the PCM were simulated using Fluent software.The results showed the following:(1) The new paraffin–CaCl_(2)·6H_(2)O composite PCM improved the thermal conductivity of native paraffin while avoiding the water solubility of CaCl_(2)·6H_(2)O.(2) The calculation formula of the thermal conductivity of CaCl_(2)·6H_(2)O combined with paraffin was deduced,and the reasons were explained in principle.(3) The“enthalpy–mass scale model”was applied to calculate the phase change latent heat of nonreactive composite PCMs.(4)The addition of the paraffin–CaCl_(2)·6H_(2)O composite PCM reduced the CTB strength but increased its heat absorption capacity.This research can give a theoretical foundation for the use of heat storage backfill in green mines.
文摘With the recent developments in computing technology, increased efforts have gone into simulation of various scientific methods and phenomenon in engineering fields. One such case is the simulation of heat and mass transfer in capillary porous media, which is becoming more and more important in analysing various scenarios in engineering applications. Analysing such heat and mass transfer phenomenon in a given environment requires us to simulate it. This entails simulation of coupled heat mass transfer equations. However, this process of numerical solution of heat and mass transfer equations is very much time consuming. Therefore, this paper aims at utilizing one of the acceleration techniques developed in the graphics community that exploits a graphics processing unit (GPU) which is applied to the numerical solutions of heat and mass transfer equations. The nVidia Compute Unified Device Architecture (CUDA) programming model caters a good method of applying parallel computing to program the graphical processing unit. This paper shows a good improvement in the performance while solving the heat and mass transfer equations for capillary porous composite cylinder with the second kind of boundary conditions numerically running on GPU. This heat and mass transfer simulation is implemented using CUDA platform on nVidia Quadro FX 4800 graphics card. Our experimental results depict the drastic performance improvement when GPU is used to perform heat and mass transfer simulation. GPU can significantly accelerate the performance with a maximum observed speedup of more than 7-fold times. Therefore, the GPU is a good approach to accelerate the heat and mass transfer simulation.
文摘With the latest advances in computing technology, a huge amount of efforts have gone into simulation of a range of scientific phenomena in engineering fields. One such case is the simulation of heat and mass transfer in capillary porous media, which is becoming more and more necessary in analyzing a number of eventualities in science and engineering applications. However, this procedure of numerical solution of heat and mass transfer equations for capillary porous media is very time consuming. Therefore, this paper pursuit is at making use of one of the acceleration methods developed in the graphics community that exploits a graphical processing unit (GPU), which is applied to the numerical solutions of such heat and mass transfer equations. The nVidia Compute Unified Device Architecture (CUDA) programming model offers a correct approach of applying parallel computing to applications with graphical processing unit. This paper suggests a true improvement in the performance while solving the heat and mass transfer equations for capillary porous radially composite cylinder with the first type of boundary conditions. This heat and mass transfer simulation is carried out through the usage of CUDA platform on nVidia Quadro FX 4800 graphics card. Our experimental outcomes exhibit the drastic overall performance enhancement when GPU is used to illustrate heat and mass transfer simulation. GPU can considerably accelerate the performance with a maximum found speedup of more than 5-fold times. Therefore, the GPU is a good strategy to accelerate the heat and mass transfer simulation in porous media.
文摘For deep-space mission design,the gravity of the Sun and the Moon can be first considered and utilized.Their gravity can provide the energy change for launching spacecraft and retrieving spacecraft as well as asteroids.Regarding an asteroid retrieval mission,it can lead to the mitigation of asteroid hazards and an easy exploration and exploitation of the asteroid.This paper discusses the application of the Sun-driven lunar swingby sequence for asteroid missions.Characterizing the capacity of this technique is not only interesting in terms of the dynamic insights but also non-trivial for trajectory design.The capacity of a Sun-driven lunar swingby sequence is elucidated in this paper with the help of the“Swingby-Jacobi”graph.The capacity can be represented by a range of the Jacobi integral that encloses around 660 asteroids currently cataloged.To facilitate trajectory design,a database of Sun-perturbed Moon-to-Moon transfers,including multi-revolution cases,is generated and employed.Massive trajectory options for spacecraft launch and asteroid capture can then be explored and optimized.Finally,a number of asteroid flyby,rendezvous,sample-return,and retrieval mission options enabled by the proposed technique are obtained.
基金This work was supported by the National Natural Science Foundation of China (No.20833004 and No.21073146) and the Research Fund for the Doctoral Program of Higher Education of China (No.200803840009).
文摘Triplet-triplet energy transfer in fluorene dimer with electronic structure calculations. The two is investigated by combining rate theories key parameters for the control of energy transfer, electronic coupling and reorganization energy, are calculated based on the diabatic states constructed by the constrained density functional theory. The fluctuation of the electronic coupling is further revealed by molecular dynamics simulation. Succeedingly, the diagonal and off-diagonal fluctuations of the Hamiltonian are mapped from the correlation functions of those parameters, and the rate is then estimated both from the perturbation theory and wavepacket diffusion method. The results manifest that both the static and dynamic fluctuations enhance the rate significantly, but the rate from the dynamic fluctuation is smaller than that from the static fluctuation.
基金This work was supported by the Ministry of Science and Technology of China(No.2017YFA0204904 and No.2016YFA0400904)the National Natural Science Foundation of China(No.21633006),and Anhui Initiative in Quantum Information Technologies.
文摘In the pioneering work by R.A.Marcus,the solvation effect on electron transfer(ET)processes was investigated,giving rise to the celebrated nonadiabatic ET rate formula.In this work,on the basis of the thermodynamic solvation potentials analysis,we reexamine Marcus’formula with respect to the Rice-Ramsperger-Kassel-Marcus(RRKM)theory.Interestingly,the obtained RRKM analogue,which recovers the original Marcus’rate that is in a linear solvation scenario,is also applicable to the nonlinear solvation scenarios,where the multiple curve-crossing of solvation potentials exists.Parallelly,we revisit the corresponding Fermi’s golden rule results,with some critical comments against the RRKM analogue proposed in this work.For illustration,we consider the quadratic solvation scenarios,on the basis of physically well-supported descriptors.
文摘Circuits with switched current are described by an admittance matrix and seeking current transfers then means calculating the ratio of algebraic supplements of this matrix. As there are also graph methods of circuit analysis in addition to algebraic methods, it is clearly possible in theory to carry out an analysis of the whole switched circuit in two-phase switching exclusively by the graph method as well. For this purpose it is possible to plot a Mason graph of a circuit, use transformation graphs to reduce Mason graphs for all the four phases of switching, and then plot a summary graph from the transformed graphs obtained this way. First the author draws nodes and possible branches, obtained by transformation graphs for transfers of EE (even-even) and OO (odd-odd) phases. In the next step, branches obtained by transformation graphs for EO and OE phase are drawn between these nodes, while their resulting transfer is 1 multiplied by z^1/2. This summary graph is extended by two branches from input node and to output node, the extended graph can then be interpreted by the Mason's relation to provide transparent current transfers. Therefore it is not necessary to compose a sum admittance matrix and to express this consequently in numbers, and so it is possible to reach the final result in a graphical way.