In addition to the hexagonal crystals of class 6 mm, many piezoelectric materials （e.g., BaTiO3）, piezomagnetic materials （e.g., CoFe2O4）, and multiferroic com-posite materials （e.g., BaTiO3-CoFe2O4 composites）...In addition to the hexagonal crystals of class 6 mm, many piezoelectric materials （e.g., BaTiO3）, piezomagnetic materials （e.g., CoFe2O4）, and multiferroic com-posite materials （e.g., BaTiO3-CoFe2O4 composites） also exhibit symmetry of transverse isotropy after poling, with the isotropic plane perpendicular to the poling direction. In this paper, simple and elegant line-integral expressions are derived for extended displace-ments, extended stresses, self-energy, and interaction energy of arbitrarily shaped, three-dimensional （3D） dislocation loops with a constant extended Burgers vector in trans-versely isotropic magneto-electro-elastic （MEE） bimaterials （i.e., joined half-spaces）. The derived solutions can also be simply reduced to those expressions for piezoelectric, piezo-magnetic, or purely elastic materials. Several numerical examples are given to show both the multi-field coupling effect and the interface/surface effect in transversely isotropic MEE materials.展开更多
Interface dislocations may dramatically change the electric properties, such as polarization, of the piezoelectric crystals. In this paper, we study the linear interactions of two interface dislocation loops with arbi...Interface dislocations may dramatically change the electric properties, such as polarization, of the piezoelectric crystals. In this paper, we study the linear interactions of two interface dislocation loops with arbitrary shape in generally anisotropic piezoelectric bi-crystals. A simple formula for calculating the interaction energy of the interface dislocation loops is derived and given by a double line integral along two closed dislocation curves. Particularly, interactions between two straight segments of the interface dislocations are solved analytically, which can be applied to approximate any curved loop so that an analytical solution can be also achieved. Numerical results show the influence of the bi-crystal interface as well as the material orientation on the interaction of interface dislocation loops.展开更多
Low energy ions exist widely in natural world, but people pay a little attention on. the interaction between low energy ions and matter, it is even more out of the question of studying on the relation of low energy io...Low energy ions exist widely in natural world, but people pay a little attention on. the interaction between low energy ions and matter, it is even more out of the question of studying on the relation of low energy ions and the complicated organism. The discovery of bioeffect induced by ion implantation has, however, opened a new branch in the field of ion beam application in life sciences. This paper reports recent advances in research on the role of low energy ions in Chemical synthesis of the biomolecules and application in genetic modification.展开更多
Jarzynski＇ identity （JI） method was suggested a promising tool for reconstructing free energy landscape of biomolecular interactions in numerical simulations and ex- periments. However, JI method has not yet been w...Jarzynski＇ identity （JI） method was suggested a promising tool for reconstructing free energy landscape of biomolecular interactions in numerical simulations and ex- periments. However, JI method has not yet been well tested in complex systems such as ligand-receptor molecular pairs. In this paper, we applied a huge number of steered molec- ular dynamics （SMD） simulations to dissociate the protease of human immunodeficiency type I virus （HIV-1 protease） and its inhibitors. We showed that because of intrinsic com- plexity of the ligand-receptor system, the energy barrier pre- dicted by JI method at high pulling rates is much higher than experimental results. However, with a slower pulling rate and fewer switch times of simulations, the predictions of JI method can approach to the experiments. These results sug- gested that the JI method is more appropriate for reconstruct- ing free energy landscape using the data taken from experi- ments, since the pulling rates used in experiments are often much slower than those in SMD simulations. Furthermore, we showed that a higher loading stiffness can produce higher precision of calculation of energy landscape because it yields a lower mean value and narrower bandwidth of work distri- bution in SMD simulations.展开更多
The strong force effect on gluon distribution of quark-gluon plasma and its influence on jet energy loss with detailed balance are studied. We solve the possibility equation and obtain the value of non-extensive param...The strong force effect on gluon distribution of quark-gluon plasma and its influence on jet energy loss with detailed balance are studied. We solve the possibility equation and obtain the value of non-extensive parameter q. In the presence of strong interaction, more gluons stay at low-energy state than the free gluon case. The strong interaction effect is found to be important for jet energy loss with detailed balance at intermediate jet energy. The energy gain via absorption increases with the strong interaction. This will affect the nuclear modification factor RAA and the parameter of q at intermediate jet energy.展开更多
In this paper,we investigate the agegraphic dark energy(ADE) model by including the sign-changeable interaction between ADE and dark matter in non-flat universe.The interaction Q can change its sign from Q < 0 to Q...In this paper,we investigate the agegraphic dark energy(ADE) model by including the sign-changeable interaction between ADE and dark matter in non-flat universe.The interaction Q can change its sign from Q < 0 to Q > 0 as the universe expands.This indicates that at first dark matter decays to ADE,and then ADE decays to dark matter.We study the dynamical behavior of the model by using the phase-plane analysis.It is shown numerically that the coupling constant β plays an important role in the evolution of the universe.The equation of state(Eo S) of ADE with the sign-changeable interaction is more likely to cross the phantom divide w_d =-1 from top to bottom with the increasing of the |β|.Whereas in ADE model with usual interaction,wd can cross the phantom divide from bottom to top.We also find that our model is consistent with the observational data.展开更多
We give a detailed examination of potential energy curves of the singlet and triplet states of CFC1 correlated with the lowest three dissociation limits. The calculations are carried out at the internally contracted m...We give a detailed examination of potential energy curves of the singlet and triplet states of CFC1 correlated with the lowest three dissociation limits. The calculations are carried out at the internally contracted multi- reference configuration interaction/cc-pV（T＋d）Z level with the other two geometric parameters fixed at the state equilibrium conformation. The vertical transition energy, the oscillator strength, the main configuration and the electron transition are also investigated at the same level.展开更多
To enhance energy interaction among low-voltage stations(LVSs)and reduce the line loss of the distribution network,a novel operation mode of the micro-pumped storage system(mPSS)has been proposed based on the common r...To enhance energy interaction among low-voltage stations(LVSs)and reduce the line loss of the distribution network,a novel operation mode of the micro-pumped storage system(mPSS)has been proposed based on the common reservoir.First,some operation modes of mPSS are analyzed,which include the separated reservoir mode(SRM)and common reservoir mode(CRM).Then,based on the SRM,and CRM,an energy mutual assistance control model between LVSs has been built to optimize energy loss.Finally,in the simulation,compared to the model without pumped storage in the LVS,the SRMand CLRMcan decrease the total energy loss by 294.377 and 432.578 kWh,respectively.The configuration of mPSS can improve the utilization rate of the new energy source generation system,and relieve the pressure of transformer capacity in the LVS.Compared with the SRM,the proposed CRM has reduced the total energy loss by 138.201 kWh,increased the new energy consumption by 161.642 kWh,and decreased the line loss by 7.271 kWh.With the efficiency of the mPSS improving,the total energy loss reduction of CRM will be 3.5 times that of SRM.Further,the CRMcan significantly reduce the reservoir capacity construction of mPSS and ismore suitable for scenarios where the capacity configuration of mPSS is limited.展开更多
Gas adsorption has an important influence on gas flow in a coal body.Research on the characteristics of coal and gas adsorption is the theoretical basis for studying gas flow in coal.In this paper,the interaction betw...Gas adsorption has an important influence on gas flow in a coal body.Research on the characteristics of coal and gas adsorption is the theoretical basis for studying gas flow in coal.In this paper,the interaction between methane,carbon dioxide and surface molecules of anthracite was simulated using the quantum chemistry method.Adsorption energy and adsorption configurations of different quantities of gas molecules absorbed on the coal surface were calculated.The results show that adsorption between coal and the two kinds of gas molecules is a physical adsorption process and there is an optimal configuration.Gas molecules are more easily adsorbed in the hydroxyl-containing side chain,while it is difficult for them to be adsorbed at the position of the benzene ring.Besides,carbon dioxide molecules are more readily adsorbed on the coal surface than methane molecules.The findings have an important significance in revealing the nature of gas adsorption in coal.展开更多
By introducing the functional theory into the calculation of electric double layer （EDL） interaction, the interaction energies of two parallel plates were calculated respectively at low, moderate, and high potential...By introducing the functional theory into the calculation of electric double layer （EDL） interaction, the interaction energies of two parallel plates were calculated respectively at low, moderate, and high potentials. Compared with the results of two existing methods, Debye-Hückel and Langmuir methods, which are applicable just to the critical potentials and perform poorly in the intermediate potential, the functional approach not only has much simpler expression of the EDL interaction energy, but also performs well in the entire range of potentials.展开更多
Typical cationic and anionic surfactants were chosen and their interactions were calculated by quantum chemical method. Interaction energies are -0.2378 kJ·mol-1, -3.3394kJ·mol-1 and 0.1204kJ·mol-1 for ...Typical cationic and anionic surfactants were chosen and their interactions were calculated by quantum chemical method. Interaction energies are -0.2378 kJ·mol-1, -3.3394kJ·mol-1 and 0.1204kJ·mol-1 for the molecular pairs with fluocarbon and hydrocarbon chain: C4H10/C5H12, C4F10/C5H12, and C4F10 /C5F12, respectively. When hydrophilic group with cationic and anionicions is introduced, interaction energies are -287.40kJ·mol-1, -311.18kJ·mol-1 and -345.83kJ·mol-1. The results show that there is strong static interaction between cationic and anionic surfactants. It has been predicted that mixed monolayer may be formed and surface activity is enhanced favorably, especially for mixtures of cationic and anionic surfactants with fluocarbon and hydrocarbon chains. The anionic surfactants, sodium octadecylbenzenesulfonate perfluopolyetherbenzenesulonate(ANF-I) was synthesized, mixture effects of ANF-I with sodium octadecylbenzenesulfonate or dodecyldimethyl benzylammonium bromide were studied. The results indicate that the efficiency of mixing increased and the theoretical prediction was testified. These results can provide useful information for the design of new surfactants.展开更多
The energy of interaction between DNA strands in promoters is of great functional importance. Visualization of the energy of DNA strands distribution in promoter sequences was achieved. The separation of promoters in ...The energy of interaction between DNA strands in promoters is of great functional importance. Visualization of the energy of DNA strands distribution in promoter sequences was achieved. The separation of promoters in groups by their energetic properties enables evaluation of the dependence of promoter strength on the energetic properties. The analysis of groups (clusters) of promoters distributed by the energy of DNA strands interaction in ?55, ?35, ?10 and +6 sequences indicates their connection with the transcriptional activity.展开更多
The stability of the magnetic dipole and the metamaterial with negative permeability are investigated. Analytical expressions of the interaction force and stiffness of the magnetic line and metamaterial with negative ...The stability of the magnetic dipole and the metamaterial with negative permeability are investigated. Analytical expressions of the interaction force and stiffness of the magnetic line and metamaterial with negative permeability are derived. The repulsive force between the magnetic line and the metamaterial exceeds the value of the maximum force in the magnet-superconductor system.展开更多
Five optimized geometries of F-?(H2O)n (n = 1, 2) were obtained with ab initio calculation at the B3LYP/6-311++G** level. The accurate intermonomer interaction energy was calculated using the MP2 electron correlation ...Five optimized geometries of F-?(H2O)n (n = 1, 2) were obtained with ab initio calculation at the B3LYP/6-311++G** level. The accurate intermonomer interaction energy was calculated using the MP2 electron correlation correction as well as the basis set superposition error correction by the Boys-Bernardi “counterpoise” protocol. Natural bond orbital (NBO) theory was applied to quantify the relative strength of these interactions and account for their effects on the stability, structural and vibrational parameters of Fˉ?(H2O)n (n = 1, 2). It is shown that the charge transferring from the lone pair of F-1 to the σ?OH(…F) antibonding orbital is important. The results indicate the occupancy of σ?OH(…F) is increased (denoted ?σ?OH(…F)) and the σOH(…F) bond is leng- thened (denoted ?ROH(…F)), leading to the red-shift and the red-shift values have linear correlation with both ?σ?OH(…F) and ?ROH(…F).展开更多
Ab initio calculations were performed using the Gaussian 03 software package to obtain the optimized structure,interaction energy and infrared spectrum of ionic liquids(ILs)containing a tetraalkylphosphonium cation an...Ab initio calculations were performed using the Gaussian 03 software package to obtain the optimized structure,interaction energy and infrared spectrum of ionic liquids(ILs)containing a tetraalkylphosphonium cation and an amino acid anion.In order to investigate the effect of the presence of nitrogen in the cation,the tetraalkylphosphonium cation was replaced by a tetraalkylammonium cation,while amino acids were retained as anions in the ionic liquid.The amino acids studied here included glycine,alanine,serine,lysine,and glutamine.Optimized structures of several ILs in the gas phase were determined at the levels of Hartree-Fock(HF/6-3+G(d))and 1density functional theory(B3LYP/6-31++G(d,p)).At high-level estimations,MP2/6-31+G(d)and MP2/6-31++G(d,p),the interaction energies between the cations and anions of the ILs were determined.In order to investigate the effect of alkyl-chain length on interaction energy,the alkyl groups were varied from methyl to ethyl and propyl in the tetraalkylphosphonium functional groups.This procedure revealed that there is a considerably stronger interaction between the alkylphosphonium cations and amino acids than between alkylammonium cations and amino acids.Vibrational spectroscopy of ILs shows that a significant-OH vibration peak occurs at 4124 cmt in serine-containing ILs,and a prominent C=O vending peak occurs at 1626 cm^-1 in amino acids.展开更多
The self-excited vibration problems of maglev vehicle-bridge interaction system were addressed, which greatly degrades the stability of the levitation control, decreases the ride comfort, and restricts the cost of the...The self-excited vibration problems of maglev vehicle-bridge interaction system were addressed, which greatly degrades the stability of the levitation control, decreases the ride comfort, and restricts the cost of the whole system. Firstly, the coupled model containing the quintessential parts was built, and the mechanism of self-excited vibration was explained in terms of energy transmission from levitation system to bridge. Then, the influences of the parameters of the widely used integral-type proportion and derivation(PD) controller and the delay of signals on the stability of the interaction system were analyzed. The result shows that the integral-type PD control is a nonoptimal approach to solve the self-excited vibration completely. Furthermore, the differential-type PD controller can guarantee the passivity of levitation system at full band. However, the differentiation of levitation gap should be filtered by a low-pass filter due to noise of gap differentiation. The analysis indicates that a well tuned low-pass filter can still keep the coupled system stable.展开更多
China is in a critical period of transforming from the oil and gas era to the renewable energy era.To better understand the process of energy interaction between China and the rest of the world,this study aimed to inv...China is in a critical period of transforming from the oil and gas era to the renewable energy era.To better understand the process of energy interaction between China and the rest of the world,this study aimed to investigate the basic theoretical cognition of global energy interaction and analyze the pattern and changes of energy interaction between China and the rest of the world with the method of complex networks,multi-region input-output analysis,and other technical methods.The main findings are as follows:(1)Chinas coal-based energy production structure and the huge demand for oil and gas indicate that ensuring overseas oil and gas supply is the most direct logic of energy interaction between China and the rest of the world,and the interaction scopes are mainly concentrated in oil-and gas-rich countries and regions.(2)With the development of renewable energy,the logic of energy interaction of China with the rest of the world has changed from countries and regions rich in oil and gas to countries with global renewable energy development and installation needs for its comparative advantages for manufacturing,which forms a renewable energy trade map that covers all major countries and regions in the world.(3)The overseas energy investment target of China has expanded from a limited number of host countries to Europe,Southeast Asia,and other countries and regions.The investment business is not only limited to the oil and gas field,but also expanded to solar energy,wind energy,hydro-power,and other renewable electricity generation projects.(4)As a global manufacturing and trading power,part of the energy consumed by China is embodied in the global production network and trade network for redistribution.The scope of energy interactions between China and the world will further expand to countries with general commodity trade relations with China,forming the global“energy hub”function.This study can provide a theoretical perspective and decision-making for a deeper understanding of the energy interactions between China and the world,maintaining national energy security,and participating in global energy economic governance.展开更多
The main goal of this study was to investigate the effects of selected ship collision parameter values on the characteristics of the absorbed energy in several ship collision scenarios. Non-linear simulations were per...The main goal of this study was to investigate the effects of selected ship collision parameter values on the characteristics of the absorbed energy in several ship collision scenarios. Non-linear simulations were performed using a finite element method （FEM） to obtain virtual experiment data. In the present research, the size of the side damage from a collision phenomenon were measured and used to verify the numerical configuration together with the calculation results using an empirical equation. Parameters in the external dynamics of a ship collision such as the location of the contact point and velocity of the striking ship were taken into consideration. The internal energy and deformation size on the side structure were discussed further in a comparative study. The effects of the selected parameters on several structural behaviors, namely energy, force, and damage extent were also observed and evaluated in this section. Stiffener on side hull was found to contribute significantly into resistance capability of the target ship against penetration of the striking bow. Remarkable force during penetration was observed to occur when inner shell was crushed as certain velocity was applied in the striking bow.展开更多
A series of “H-shaped” organic dimers （azobenzene derivatives） exhibit linear absorption red shift compared with their corresponding monomers experimentally. Dipolar interaction model is not appropriate for the az...A series of “H-shaped” organic dimers （azobenzene derivatives） exhibit linear absorption red shift compared with their corresponding monomers experimentally. Dipolar interaction model is not appropriate for the azobenzene derivatives due to the small distance between two “D-π-A” chains. Energy transfer model is suggested for explanation of the absorption red shift. Two necessary conditions for energy transfer were verified. In addition, bi-exponential florescence-delay behavior of the dimer as well as Bella＇s quantum chemistry calculation shows evidence of energy transfer.展开更多
Multi-messenger gravitational wave(GW)observation for binary neutron star merger events could provide a rather useful tool to explore the evolution of the Universe.In particular,for the third-generation GW detectors,i...Multi-messenger gravitational wave(GW)observation for binary neutron star merger events could provide a rather useful tool to explore the evolution of the Universe.In particular,for the third-generation GW detectors,i.e.the Einstein Telescope(ET)and the Cosmic Explorer(CE),proposed to be built in Europe and the U.S.,respectively,lots of GW standard sirens with known redshifts could be obtained,which would exert great impacts on the cosmological parameter estimation.The total neutrino mass could be measured by cosmological observations,but such a measurement is model-dependent and currently only gives an upper limit.In this work,we wish to investigate whether the GW standard sirens observed by ET and CE could help improve the constraint on the neutrino mass,in particular in the interacting dark energy(IDE)models.We find that the GW standard siren observations from ET and CE can only slightly improve the constraint on the neutrino mass in the IDE models,compared to the current limit.The improvements in the IDE models are weaker than those in the standard cosmological model.Although the limit on neutrino mass can only be slightly updated,the constraints on other cosmological parameters can be significantly improved by using the GW observations.展开更多
基金Project supported by the National Project of Scientific and Technical Supporting Programs Funded by Ministry of Science&Technology of China(No.2009BAG12A01-A03-2)the National Natural Science Foundation of China(Nos.10972196,11090333,11172273,and 11321202)
文摘In addition to the hexagonal crystals of class 6 mm, many piezoelectric materials （e.g., BaTiO3）, piezomagnetic materials （e.g., CoFe2O4）, and multiferroic com-posite materials （e.g., BaTiO3-CoFe2O4 composites） also exhibit symmetry of transverse isotropy after poling, with the isotropic plane perpendicular to the poling direction. In this paper, simple and elegant line-integral expressions are derived for extended displace-ments, extended stresses, self-energy, and interaction energy of arbitrarily shaped, three-dimensional （3D） dislocation loops with a constant extended Burgers vector in trans-versely isotropic magneto-electro-elastic （MEE） bimaterials （i.e., joined half-spaces）. The derived solutions can also be simply reduced to those expressions for piezoelectric, piezo-magnetic, or purely elastic materials. Several numerical examples are given to show both the multi-field coupling effect and the interface/surface effect in transversely isotropic MEE materials.
基金supports from the National Natural Science Foundation of China(11402133 and 11502128)
文摘Interface dislocations may dramatically change the electric properties, such as polarization, of the piezoelectric crystals. In this paper, we study the linear interactions of two interface dislocation loops with arbitrary shape in generally anisotropic piezoelectric bi-crystals. A simple formula for calculating the interaction energy of the interface dislocation loops is derived and given by a double line integral along two closed dislocation curves. Particularly, interactions between two straight segments of the interface dislocations are solved analytically, which can be applied to approximate any curved loop so that an analytical solution can be also achieved. Numerical results show the influence of the bi-crystal interface as well as the material orientation on the interaction of interface dislocation loops.
基金National Science & Technology Key ProgramNational Nature Science FOundation+1 种基金Chinese Academy of Sciences FoundationAnh
文摘Low energy ions exist widely in natural world, but people pay a little attention on. the interaction between low energy ions and matter, it is even more out of the question of studying on the relation of low energy ions and the complicated organism. The discovery of bioeffect induced by ion implantation has, however, opened a new branch in the field of ion beam application in life sciences. This paper reports recent advances in research on the role of low energy ions in Chemical synthesis of the biomolecules and application in genetic modification.
基金supported by the National Science Foundation of China (10732050,10872115 and 11025208)Excellent Young Scholars Research Fund of Beijing Institute of Technology
文摘Jarzynski＇ identity （JI） method was suggested a promising tool for reconstructing free energy landscape of biomolecular interactions in numerical simulations and ex- periments. However, JI method has not yet been well tested in complex systems such as ligand-receptor molecular pairs. In this paper, we applied a huge number of steered molec- ular dynamics （SMD） simulations to dissociate the protease of human immunodeficiency type I virus （HIV-1 protease） and its inhibitors. We showed that because of intrinsic com- plexity of the ligand-receptor system, the energy barrier pre- dicted by JI method at high pulling rates is much higher than experimental results. However, with a slower pulling rate and fewer switch times of simulations, the predictions of JI method can approach to the experiments. These results sug- gested that the JI method is more appropriate for reconstruct- ing free energy landscape using the data taken from experi- ments, since the pulling rates used in experiments are often much slower than those in SMD simulations. Furthermore, we showed that a higher loading stiffness can produce higher precision of calculation of energy landscape because it yields a lower mean value and narrower bandwidth of work distri- bution in SMD simulations.
基金Supported by the National Natural Science Foundation of China under Grant No 11205024the Doctoral Scientific Fund Project of the Ministry of Education of China under Grant No 2012004112004
文摘The strong force effect on gluon distribution of quark-gluon plasma and its influence on jet energy loss with detailed balance are studied. We solve the possibility equation and obtain the value of non-extensive parameter q. In the presence of strong interaction, more gluons stay at low-energy state than the free gluon case. The strong interaction effect is found to be important for jet energy loss with detailed balance at intermediate jet energy. The energy gain via absorption increases with the strong interaction. This will affect the nuclear modification factor RAA and the parameter of q at intermediate jet energy.
基金Supported by National Nature Science Foundation of China under Grant No.51405181Natural Science Foundation for Youths of Jiangsu Province under Grant No.BK20130407Colleges and Universities Natural Science Fundation of Jiangsu Province under Grant No.13KJB460001
文摘In this paper,we investigate the agegraphic dark energy(ADE) model by including the sign-changeable interaction between ADE and dark matter in non-flat universe.The interaction Q can change its sign from Q < 0 to Q > 0 as the universe expands.This indicates that at first dark matter decays to ADE,and then ADE decays to dark matter.We study the dynamical behavior of the model by using the phase-plane analysis.It is shown numerically that the coupling constant β plays an important role in the evolution of the universe.The equation of state(Eo S) of ADE with the sign-changeable interaction is more likely to cross the phantom divide w_d =-1 from top to bottom with the increasing of the |β|.Whereas in ADE model with usual interaction,wd can cross the phantom divide from bottom to top.We also find that our model is consistent with the observational data.
基金Supported by the National Natural Science Foundation of China under Grant No 11447148
文摘We give a detailed examination of potential energy curves of the singlet and triplet states of CFC1 correlated with the lowest three dissociation limits. The calculations are carried out at the internally contracted multi- reference configuration interaction/cc-pV（T＋d）Z level with the other two geometric parameters fixed at the state equilibrium conformation. The vertical transition energy, the oscillator strength, the main configuration and the electron transition are also investigated at the same level.
基金sponsored by the State Grid Corporation of China Technology Project(Research on Key Technologies and Equipment Development of Micro Pumped Storage for Distributed New Energy Consumption in Distribution Networks,5400-202324196A-1-1-ZN).
文摘To enhance energy interaction among low-voltage stations(LVSs)and reduce the line loss of the distribution network,a novel operation mode of the micro-pumped storage system(mPSS)has been proposed based on the common reservoir.First,some operation modes of mPSS are analyzed,which include the separated reservoir mode(SRM)and common reservoir mode(CRM).Then,based on the SRM,and CRM,an energy mutual assistance control model between LVSs has been built to optimize energy loss.Finally,in the simulation,compared to the model without pumped storage in the LVS,the SRMand CLRMcan decrease the total energy loss by 294.377 and 432.578 kWh,respectively.The configuration of mPSS can improve the utilization rate of the new energy source generation system,and relieve the pressure of transformer capacity in the LVS.Compared with the SRM,the proposed CRM has reduced the total energy loss by 138.201 kWh,increased the new energy consumption by 161.642 kWh,and decreased the line loss by 7.271 kWh.With the efficiency of the mPSS improving,the total energy loss reduction of CRM will be 3.5 times that of SRM.Further,the CRMcan significantly reduce the reservoir capacity construction of mPSS and ismore suitable for scenarios where the capacity configuration of mPSS is limited.
基金foundation by the National Key Basic Research and Development Project Program of China(No.2011CB201202-2)the Research Fund for the Doctoral Program of Higher Education(No.20120023120005)+1 种基金the Foundation of State Key Laboratory of Coal Resources and Safety Mining(No.SKLCRSM11KFB04)the Fundamental Research Funds for the Central Universities(No.2009kz03)
文摘Gas adsorption has an important influence on gas flow in a coal body.Research on the characteristics of coal and gas adsorption is the theoretical basis for studying gas flow in coal.In this paper,the interaction between methane,carbon dioxide and surface molecules of anthracite was simulated using the quantum chemistry method.Adsorption energy and adsorption configurations of different quantities of gas molecules absorbed on the coal surface were calculated.The results show that adsorption between coal and the two kinds of gas molecules is a physical adsorption process and there is an optimal configuration.Gas molecules are more easily adsorbed in the hydroxyl-containing side chain,while it is difficult for them to be adsorbed at the position of the benzene ring.Besides,carbon dioxide molecules are more readily adsorbed on the coal surface than methane molecules.The findings have an important significance in revealing the nature of gas adsorption in coal.
基金This work was supported by the National Natural Science Foundation of China （No.20676051 and No.20573048） and the Important Construction Project （category A） of Shanghai Jiao Tong University （No.AE150085）.
文摘By introducing the functional theory into the calculation of electric double layer （EDL） interaction, the interaction energies of two parallel plates were calculated respectively at low, moderate, and high potentials. Compared with the results of two existing methods, Debye-Hückel and Langmuir methods, which are applicable just to the critical potentials and perform poorly in the intermediate potential, the functional approach not only has much simpler expression of the EDL interaction energy, but also performs well in the entire range of potentials.
文摘Typical cationic and anionic surfactants were chosen and their interactions were calculated by quantum chemical method. Interaction energies are -0.2378 kJ·mol-1, -3.3394kJ·mol-1 and 0.1204kJ·mol-1 for the molecular pairs with fluocarbon and hydrocarbon chain: C4H10/C5H12, C4F10/C5H12, and C4F10 /C5F12, respectively. When hydrophilic group with cationic and anionicions is introduced, interaction energies are -287.40kJ·mol-1, -311.18kJ·mol-1 and -345.83kJ·mol-1. The results show that there is strong static interaction between cationic and anionic surfactants. It has been predicted that mixed monolayer may be formed and surface activity is enhanced favorably, especially for mixtures of cationic and anionic surfactants with fluocarbon and hydrocarbon chains. The anionic surfactants, sodium octadecylbenzenesulfonate perfluopolyetherbenzenesulonate(ANF-I) was synthesized, mixture effects of ANF-I with sodium octadecylbenzenesulfonate or dodecyldimethyl benzylammonium bromide were studied. The results indicate that the efficiency of mixing increased and the theoretical prediction was testified. These results can provide useful information for the design of new surfactants.
文摘The energy of interaction between DNA strands in promoters is of great functional importance. Visualization of the energy of DNA strands distribution in promoter sequences was achieved. The separation of promoters in groups by their energetic properties enables evaluation of the dependence of promoter strength on the energetic properties. The analysis of groups (clusters) of promoters distributed by the energy of DNA strands interaction in ?55, ?35, ?10 and +6 sequences indicates their connection with the transcriptional activity.
文摘The stability of the magnetic dipole and the metamaterial with negative permeability are investigated. Analytical expressions of the interaction force and stiffness of the magnetic line and metamaterial with negative permeability are derived. The repulsive force between the magnetic line and the metamaterial exceeds the value of the maximum force in the magnet-superconductor system.
基金This work was supported by the Foundation of Education Committee of Gansu Province (021-227).
文摘Five optimized geometries of F-?(H2O)n (n = 1, 2) were obtained with ab initio calculation at the B3LYP/6-311++G** level. The accurate intermonomer interaction energy was calculated using the MP2 electron correlation correction as well as the basis set superposition error correction by the Boys-Bernardi “counterpoise” protocol. Natural bond orbital (NBO) theory was applied to quantify the relative strength of these interactions and account for their effects on the stability, structural and vibrational parameters of Fˉ?(H2O)n (n = 1, 2). It is shown that the charge transferring from the lone pair of F-1 to the σ?OH(…F) antibonding orbital is important. The results indicate the occupancy of σ?OH(…F) is increased (denoted ?σ?OH(…F)) and the σOH(…F) bond is leng- thened (denoted ?ROH(…F)), leading to the red-shift and the red-shift values have linear correlation with both ?σ?OH(…F) and ?ROH(…F).
文摘Ab initio calculations were performed using the Gaussian 03 software package to obtain the optimized structure,interaction energy and infrared spectrum of ionic liquids(ILs)containing a tetraalkylphosphonium cation and an amino acid anion.In order to investigate the effect of the presence of nitrogen in the cation,the tetraalkylphosphonium cation was replaced by a tetraalkylammonium cation,while amino acids were retained as anions in the ionic liquid.The amino acids studied here included glycine,alanine,serine,lysine,and glutamine.Optimized structures of several ILs in the gas phase were determined at the levels of Hartree-Fock(HF/6-3+G(d))and 1density functional theory(B3LYP/6-31++G(d,p)).At high-level estimations,MP2/6-31+G(d)and MP2/6-31++G(d,p),the interaction energies between the cations and anions of the ILs were determined.In order to investigate the effect of alkyl-chain length on interaction energy,the alkyl groups were varied from methyl to ethyl and propyl in the tetraalkylphosphonium functional groups.This procedure revealed that there is a considerably stronger interaction between the alkylphosphonium cations and amino acids than between alkylammonium cations and amino acids.Vibrational spectroscopy of ILs shows that a significant-OH vibration peak occurs at 4124 cmt in serine-containing ILs,and a prominent C=O vending peak occurs at 1626 cm^-1 in amino acids.
基金Projects(60404003,11202230)supported by the National Natural Science Foundation of China
文摘The self-excited vibration problems of maglev vehicle-bridge interaction system were addressed, which greatly degrades the stability of the levitation control, decreases the ride comfort, and restricts the cost of the whole system. Firstly, the coupled model containing the quintessential parts was built, and the mechanism of self-excited vibration was explained in terms of energy transmission from levitation system to bridge. Then, the influences of the parameters of the widely used integral-type proportion and derivation(PD) controller and the delay of signals on the stability of the interaction system were analyzed. The result shows that the integral-type PD control is a nonoptimal approach to solve the self-excited vibration completely. Furthermore, the differential-type PD controller can guarantee the passivity of levitation system at full band. However, the differentiation of levitation gap should be filtered by a low-pass filter due to noise of gap differentiation. The analysis indicates that a well tuned low-pass filter can still keep the coupled system stable.
基金National Natural Science Foundation of China(42022007)National Natural Science Foundation of China(41871118)Youth Innovation Promotion Association,Chinese Academy of Sciences(2018069)。
文摘China is in a critical period of transforming from the oil and gas era to the renewable energy era.To better understand the process of energy interaction between China and the rest of the world,this study aimed to investigate the basic theoretical cognition of global energy interaction and analyze the pattern and changes of energy interaction between China and the rest of the world with the method of complex networks,multi-region input-output analysis,and other technical methods.The main findings are as follows:(1)Chinas coal-based energy production structure and the huge demand for oil and gas indicate that ensuring overseas oil and gas supply is the most direct logic of energy interaction between China and the rest of the world,and the interaction scopes are mainly concentrated in oil-and gas-rich countries and regions.(2)With the development of renewable energy,the logic of energy interaction of China with the rest of the world has changed from countries and regions rich in oil and gas to countries with global renewable energy development and installation needs for its comparative advantages for manufacturing,which forms a renewable energy trade map that covers all major countries and regions in the world.(3)The overseas energy investment target of China has expanded from a limited number of host countries to Europe,Southeast Asia,and other countries and regions.The investment business is not only limited to the oil and gas field,but also expanded to solar energy,wind energy,hydro-power,and other renewable electricity generation projects.(4)As a global manufacturing and trading power,part of the energy consumed by China is embodied in the global production network and trade network for redistribution.The scope of energy interactions between China and the world will further expand to countries with general commodity trade relations with China,forming the global“energy hub”function.This study can provide a theoretical perspective and decision-making for a deeper understanding of the energy interactions between China and the world,maintaining national energy security,and participating in global energy economic governance.
文摘The main goal of this study was to investigate the effects of selected ship collision parameter values on the characteristics of the absorbed energy in several ship collision scenarios. Non-linear simulations were performed using a finite element method （FEM） to obtain virtual experiment data. In the present research, the size of the side damage from a collision phenomenon were measured and used to verify the numerical configuration together with the calculation results using an empirical equation. Parameters in the external dynamics of a ship collision such as the location of the contact point and velocity of the striking ship were taken into consideration. The internal energy and deformation size on the side structure were discussed further in a comparative study. The effects of the selected parameters on several structural behaviors, namely energy, force, and damage extent were also observed and evaluated in this section. Stiffener on side hull was found to contribute significantly into resistance capability of the target ship against penetration of the striking bow. Remarkable force during penetration was observed to occur when inner shell was crushed as certain velocity was applied in the striking bow.
文摘A series of “H-shaped” organic dimers （azobenzene derivatives） exhibit linear absorption red shift compared with their corresponding monomers experimentally. Dipolar interaction model is not appropriate for the azobenzene derivatives due to the small distance between two “D-π-A” chains. Energy transfer model is suggested for explanation of the absorption red shift. Two necessary conditions for energy transfer were verified. In addition, bi-exponential florescence-delay behavior of the dimer as well as Bella＇s quantum chemistry calculation shows evidence of energy transfer.
基金This work was supported by the National Natural Science Foundation of China(Grants Nos.11975072,11835009,11875102,and 11690021)the Liaoning Revitalization Talents Program(Grant No.XLYC1905011)+2 种基金the Fundamental Research Funds for the Central Universities(Grant No.N2005030)the National 111 Project of China(Grant No.B16009)the Science Research Grants from the China Manned Space Project(Grant No.CMS-CSST-2021-B01).
文摘Multi-messenger gravitational wave(GW)observation for binary neutron star merger events could provide a rather useful tool to explore the evolution of the Universe.In particular,for the third-generation GW detectors,i.e.the Einstein Telescope(ET)and the Cosmic Explorer(CE),proposed to be built in Europe and the U.S.,respectively,lots of GW standard sirens with known redshifts could be obtained,which would exert great impacts on the cosmological parameter estimation.The total neutrino mass could be measured by cosmological observations,but such a measurement is model-dependent and currently only gives an upper limit.In this work,we wish to investigate whether the GW standard sirens observed by ET and CE could help improve the constraint on the neutrino mass,in particular in the interacting dark energy(IDE)models.We find that the GW standard siren observations from ET and CE can only slightly improve the constraint on the neutrino mass in the IDE models,compared to the current limit.The improvements in the IDE models are weaker than those in the standard cosmological model.Although the limit on neutrino mass can only be slightly updated,the constraints on other cosmological parameters can be significantly improved by using the GW observations.
