期刊文献+
共找到1,042篇文章
< 1 2 53 >
每页显示 20 50 100
Application of self-consistent field theory to self-assembled bilayer membranes
1
作者 张平文 史安昌 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第12期45-52,共8页
Bilayer membranes self-assembled from amphiphilic molecules such as lipids, surfactants, and block copolymers are ubiquitous in biological and physiochemical systems. The shape and structure of bilayer membranes depen... Bilayer membranes self-assembled from amphiphilic molecules such as lipids, surfactants, and block copolymers are ubiquitous in biological and physiochemical systems. The shape and structure of bilayer membranes depend crucially on their mechanical properties such as surface tension, bending moduli, and line tension. Understanding how the molecular properties of the amphiphiles determine the structure and mechanics of the self-assembled bilayers requires a molecularly detailed theoretical framework. The self-consistent field theory provides such a theoretical framework, which is capable of accurately predicting the mechanical parameters of self-assembled bilayer membranes. In this mini review we summarize the formulation of the self-consistent field theory, as exemplified by a model system composed of flexible amphiphilic chains dissolved in hydrophilic polymeric solvents, and its application to the study of self-assembled bilayer membranes. 展开更多
关键词 amphiphilic molecules bilayer membranes elastic moduli self-consistent field theory
在线阅读 下载PDF
Self-consistent field theory of adsorption of flexible polyelectrolytes onto an oppositely charged sphere
2
作者 童朝阳 诸跃进 童朝晖 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第3期577-582,共6页
The adsorption of flexible polyelectrolyte (PE) with the smeared charge distribution onto an oppositely charged sphere immersed in a PE solution is studied numerically with the continuum self-consistent field theory... The adsorption of flexible polyelectrolyte (PE) with the smeared charge distribution onto an oppositely charged sphere immersed in a PE solution is studied numerically with the continuum self-consistent field theory. The power law scaling relationships between the boundary layer thickness and the surface charge density and the charge fraction of PE chains revealed in the study are in good agreement with the existing analytical result. The curvature effect on the degree of charge compensation of the total amount of charges on the adsorbed PE chains over the surface charges is examined, and a clear understanding of it based on the dependences of the degree of charge compensation on the surface charge density and the charge fraction of PE chains is established. 展开更多
关键词 POLYELECTROLYTE ADSORPTION self-consistent field theory
在线阅读 下载PDF
Charge self-consistent dynamical mean field theory calculations incombination with linear combination of numerical atomic orbitalsframework based density functional theory
3
作者 Xin Qu Peng Xu +6 位作者 Zhiyong Liu Jintao Wang Fei Wang Wei Huang Zhongxin Li Weichang Xu Xinguo Ren 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第10期62-69,共8页
We present a formalism of charge self-consistent dynamical mean field theory(DMFT)in combination with densityfunctional theory(DFT)within the linear combination of numerical atomic orbitals(LCNAO)framework.We implemen... We present a formalism of charge self-consistent dynamical mean field theory(DMFT)in combination with densityfunctional theory(DFT)within the linear combination of numerical atomic orbitals(LCNAO)framework.We implementedthe charge self-consistent DFT+DMFT formalism by interfacing a full-potential all-electron DFT code with threehybridization expansion-based continuous-time quantum Monte Carlo impurity solvers.The benchmarks on several 3d,4fand 5f strongly correlated electron systems validated our formalism and implementation.Furthermore,within the LCANOframework,our formalism is general and the code architecture is extensible,so it can work as a bridge merging differentLCNAO DFT packages and impurity solvers to do charge self-consistent DFT+DMFT calculations. 展开更多
关键词 dynamical mean field theory density functional theory strongly correlated electrons
在线阅读 下载PDF
Comparative study on phase transition behaviors of fractional molecular field theory and random-site Ising model
4
作者 刘婷玉 赵薇 +3 位作者 王涛 安小冬 卫来 黄以能 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第3期536-541,共6页
Fractional molecular field theory(FMFT)is a phenomenological theory that describes phase transitions in crystals with randomly distributed components,such as the relaxor-ferroelectrics and spin glasses.In order to ver... Fractional molecular field theory(FMFT)is a phenomenological theory that describes phase transitions in crystals with randomly distributed components,such as the relaxor-ferroelectrics and spin glasses.In order to verify the feasibility of this theory,this paper fits it to the Monte Carlo simulations of specific heat and susceptibility versus temperature of two-dimensional(2D)random-site Ising model(2D-RSIM).The results indicate that the FMFT deviates from the 2D-RSIM significantly.The main reason for the deviation is that the 2D-RSIM is a typical system of component random distribution,where the real order parameter is spatially heterogeneous and has no symmetry of space translation,but the basic assumption of FMFT means that the parameter is spatially uniform and has symmetry of space translation. 展开更多
关键词 phase transition molecular field theory Ising model Monte Carlo
在线阅读 下载PDF
Self-consistent assessment of Li^(+) ion cathodes:Theory vs.experiments 被引量:2
5
作者 Hongjie Xu Weidong Xiao +2 位作者 Zhuo Wang Junhua Hu Guosheng Shao 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2021年第8期229-241,I0006,共14页
Transition metal oxide cathodes such as layered Li Co O_(2),spinel Li Mn_(2)O_(4) and olivine Li Fe PO4 have been commercialized for several decades and widely used in the rechargeable Li-ion batteries(LIBs).While gre... Transition metal oxide cathodes such as layered Li Co O_(2),spinel Li Mn_(2)O_(4) and olivine Li Fe PO4 have been commercialized for several decades and widely used in the rechargeable Li-ion batteries(LIBs).While great theoretical efforts have been made using the density functional theory(DFT)method,leading to insightful understanding covering materials stability and functional properties,the lack of consistency in choices of functionals and/or convergence criteria makes it somewhat difficult to compare results.It is therefore highly useful to assess these established systems towards self-consistency,thus offering a reliable working basis for theoretical formulation of novel cathodes.Here in this work,we have carried out systematic DFT calculations on the basis of recently established framework covering both thermodynamic stability,functional properties and associated mechanisms.Efforts have been made in selfconsistent selection of exchange-correlation(XC)functionals in terms of dependable accuracy with affordable computational cost,which is essential for high-throughput first-principles calculations.The outcome of the current work on three established cathode systems is in very good agreement with experimental data,and the methodology is to provide a solid basis for designing novel cathode materials without using costing non-local exchange-correlation functionals for structure-energy calculations. 展开更多
关键词 Li-ion batteries Intercalation-type oxide cathodes Ab initio approaches self-consistENCY Density functional theory
在线阅读 下载PDF
The Self-Consistent Nonlinear Theory of Charged Particle Beam Acceleration by Slowed Circularly Polarized Electromagnetic Waves 被引量:1
6
作者 孔令宝 王虹宇 +1 位作者 侯志灵 金海波 《Plasma Science and Technology》 SCIE EI CAS CSCD 2013年第12期1174-1177,共4页
The relativistic interaction of charged particle beams with a circularly polarized electromagnetic wave propagating along a uniform guiding magnetic field in the tunneling of a dielectric medium is analyzed. The accel... The relativistic interaction of charged particle beams with a circularly polarized electromagnetic wave propagating along a uniform guiding magnetic field in the tunneling of a dielectric medium is analyzed. The acceleration mechanism and a self-consistent nonlinear theory are presented for the interaction of relativistic charged particle beams with electromagnetic waves. Numerical results show that the beam particle can be efficiently accelerated in the interaction process. 展开更多
关键词 charged particle acceleration slowed circular electromagnetic wave self-consistent nonlinear equation guiding magnetic field
在线阅读 下载PDF
A numerical Hartree self-consistent field calculation of an autoionization resonance parameters for a doubly excited 2s^2, 3s^2, and 4s^2 states of He atom with a complex absorbing potential
7
作者 Tsogbayar Tsednee Danny L Yeager 《Chinese Physics B》 SCIE EI CAS CSCD 2017年第8期114-122,共9页
The self-consistent Hartree-Fock equation for the He atom is solved using the pseudospectral method. The Feshbach- type autoionization resonance parameters for doubly excited 2s2, 3s2, and 4s2 IS states of He have bee... The self-consistent Hartree-Fock equation for the He atom is solved using the pseudospectral method. The Feshbach- type autoionization resonance parameters for doubly excited 2s2, 3s2, and 4s2 IS states of He have been determined by adding a complex absorbing potential to the Hamiltonian. The Riss-Meyer iterative and Pad6 extrapolation methods are applied to obtain reliable values for the autoionization resonance parameters, which are compared to previous results in the literature. 展开更多
关键词 self-consistent field Hartree-Fock equation helium autoionization pseudospectral method
在线阅读 下载PDF
ELECTRICALLY CHARGED SOLITONS IN GAUGE FIELD THEORY 被引量:2
8
作者 杨亦松 《Acta Mathematica Scientia》 SCIE CSCD 2010年第6期1975-2005,共31页
Monopoles and vortices are well known magnetically charged soliton solutions of gauge field equations. Extending the idea of Dirac on monopoles, Schwinger pioneered the concept of solitons carrying both electric and m... Monopoles and vortices are well known magnetically charged soliton solutions of gauge field equations. Extending the idea of Dirac on monopoles, Schwinger pioneered the concept of solitons carrying both electric and magnetic charges, called dyons, which are useful in modeling elementary particles. Mathematically, the existence of dyons presents interesting variational partial differential equation problems, subject to topological constraints. This article is a survey on recent progress in the study of dyons. 展开更多
关键词 gauge field theory MONOPOLES VORTICES DYONS calculus of variations topological invariants
在线阅读 下载PDF
Improved routing strategy based on gravitational field theory 被引量:2
9
作者 宋海权 郭进 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第10期651-658,共8页
Routing and path selection are crucial for many communication and logistic applications. We study the interaction between nodes and packets and establish a simple model for describing the attraction of the node to the... Routing and path selection are crucial for many communication and logistic applications. We study the interaction between nodes and packets and establish a simple model for describing the attraction of the node to the packet in transmission process by using the gravitational field theory, considering the real and potential congestion of the nodes. On the basis of this model, we propose a gravitational field routing strategy that considers the attractions of all of the nodes on the travel path to the packet. In order to illustrate the efficiency of proposed routing algorithm, we introduce the order parameter to measure the throughput of the network by the critical value of phase transition from a free flow phase to a congested phase,and study the distribution of betweenness centrality and traffic jam. Simulations show that, compared with the shortest path routing strategy, the gravitational field routing strategy considerably enhances the throughput of the network and balances the traffic load, and nearly all of the nodes are used efficiently. 展开更多
关键词 complex network network transport routing strategy gravitational field theory CONGESTION
在线阅读 下载PDF
Development of mean-field electrical double layer theory 被引量:1
10
作者 黄一珂 刘晓红 +1 位作者 李姝 言天英 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第1期282-288,共7页
In order to understand the electric interfacial behavior, mean field based electric double layer (EDL) theory has been continuously developed over the past 150 years. In this article, we briefly review the developme... In order to understand the electric interfacial behavior, mean field based electric double layer (EDL) theory has been continuously developed over the past 150 years. In this article, we briefly review the development of the EDL model, from the dimensionless Gouy-Chapman model to the symmetric Bikerman-Freise model, and finally toward size-asymmetric mean field theory models. We provide the general derivations within the framework of Helmholtz free energy of the lattice- gas model, and it can be seen that the above-mentioned models are consistent in the sense that the interconversi0n among them can be achieved by reducing the basic assumptions. 展开更多
关键词 electric double layer mean field theory differential capacitance SUPERCAPACITOR
在线阅读 下载PDF
TOPOLOGICAL STRUCTURE OF RENORM ALIZATION CONSTANTS I N QUANTUM FIELD THEORY AT SHORT DISTANCE KUNMING COLLABRATION OF MULTIHADRON DYNAMIOS 被引量:4
11
作者 赵树松 《Acta Mathematica Scientia》 SCIE CSCD 1991年第2期221-224,共4页
The anomalous dimensions of the quantum fields are the Hausdorff dimensiongrad. The present candidate of the renormalization constant is the generalized Cantor discontinuum. The Hausdorff dimensiongrad of the Minkowsk... The anomalous dimensions of the quantum fields are the Hausdorff dimensiongrad. The present candidate of the renormalization constant is the generalized Cantor discontinuum. The Hausdorff dimensiongrad of the Minkowski space time is based upon the point set with σ-length on light cone. 展开更多
关键词 TOPOLOGICAL STRUCTURE OF RENORM ALIZATION CONSTANTS I N QUANTUM field theory AT SHORT DISTANCE KUNMING COLLABRATION OF MULTIHADRON DYNAMIOS 110
在线阅读 下载PDF
Kinetic Ising model in a time-dependent oscillating external magnetic field:effective-field theory 被引量:1
12
作者 Bayram Deviren Osman Canko Mustafa Keskin 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第5期187-194,共8页
Recently, Shiet al. [2008 Phys. Left. A 372 5922] have studied the dynamical response of the kinetic Ising model in the presence of a sinusoidal oscillating field and presented the dynamic phase diagrams by using an e... Recently, Shiet al. [2008 Phys. Left. A 372 5922] have studied the dynamical response of the kinetic Ising model in the presence of a sinusoidal oscillating field and presented the dynamic phase diagrams by using an effective-field theory (EFT) and a mean-field theory (MFT). The MFT results are in conflict with those of the earlier work of Tome and de Oliveira, [1990 Phys. Rev. A 41 4251]. We calculate the dynamic phase diagrams and find that our results are similar to those of the earlier work of Tome and de Oliveira; hence the dynamic phase diagrams calculated by Shiet al. are incomplete within both theories, except the low values of frequencies for the MFT calculation. We also investigate the influence of external field frequency (w) and static external field amplitude (h0) for both MFT and EFT calculations. We find that the behaviour of the system strongly depends on the values of w and h0. 展开更多
关键词 kinetic Ising model effective-field theory mean-field theory
在线阅读 下载PDF
The effect of a magnetic field on a 2D problem of fibre-reinforced thermoelasticity rotation under three theories
13
作者 Kh.Lotfy 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第6期264-275,共12页
In the present paper, we introduce the coupled theory (CD), Lord-Schulman (LS) theory, and Green-Lindsay (GL) theory to study the influences of a magnetic field and rotation on a two-dimensional problem of fibre... In the present paper, we introduce the coupled theory (CD), Lord-Schulman (LS) theory, and Green-Lindsay (GL) theory to study the influences of a magnetic field and rotation on a two-dimensional problem of fibre-reinforced thermoelasticity. The material is a homogeneous isotropic elastic half-space. The method applied here is to use normal mode analysis to solve a thermal shock problem. Some particular cases are also discussed in the context of the problem. Deformation of a body depends on the nature of the force applied as well as the type of boundary conditions. Numerical results for the temperature, displacement, and thermal stress components are given and illustrated graphically in the absence and the presence of the magnetic field and rotation. 展开更多
关键词 Lord-Schulman theory Green-Lindsay theory coupled theory reinforcement rotation magnetic field
在线阅读 下载PDF
One-loop renormalizability of noncommutative U(1) gauge theory with scalar fields
14
作者 黄家辉 盛正卯 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第1期111-116,共6页
This paper uses the background field method to calculate one-loop divergent corrections to the gauge field propa- gators in noncommutative U(1) gauge theory with scalar fields. It shows that for a massless scalar fi... This paper uses the background field method to calculate one-loop divergent corrections to the gauge field propa- gators in noncommutative U(1) gauge theory with scalar fields. It shows that for a massless scalar field, the gauge field propagators are renormalizable to 02-order, but for a massive scalar field they are renormalizable only to O-order. 展开更多
关键词 noncommutative geometry quantum field theory RENORMALIZATION
在线阅读 下载PDF
Comparative study on atomic ionization in bicircular laser fields by length and velocity gauges S-matrix theory
15
作者 Hong Xia Xin-Yan Jia +4 位作者 Xiao-Lei Hao Li Guo Dai-He Fan Gen-Bai Chu Jing Chen 《Chinese Physics B》 SCIE EI CAS CSCD 2020年第2期254-261,共8页
Ionization of atoms in counter-rotating and co-rotating bicircular laser fields is studied using the S-matrix theory in both length and velocity gauges.We show that for both the bicircular fields,ionization rates are ... Ionization of atoms in counter-rotating and co-rotating bicircular laser fields is studied using the S-matrix theory in both length and velocity gauges.We show that for both the bicircular fields,ionization rates are enhanced when the two circularly polarized lights have comparable intensities.In addition,the curves of ionization rate versus the field amplitude ratio of the two colors for counter-rotating and co-rotating fields coincide with each other in the length gauge case at the total laser intensity 5×10^14 W/cm^2,which agrees with the experimental observation.Moreover,the degree of the coincidence between the ionization rate curves of the two bicircular fields decreases with the increasing field amplitude ratio and decreasing total laser intensity.With the help of the ADK theory,the above characteristics of the ionization rate curves can be well interpreted,which is related to the transition from the tunneling to multiphoton ionization mechanism. 展开更多
关键词 ABOVE-THRESHOLD ionization(ATI) bicircular laser fields LENGTH GAUGE VELOCITY GAUGE S-MATRIX theory
在线阅读 下载PDF
Fast impurity solver for dynamical mean field theory based on second order perturbation around the atomic limit
16
作者 庄嘉宁 刘青梅 +1 位作者 方忠 戴希 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第8期535-542,共8页
This paper proposes an impurity solver for the dynamical mean field theory (DMFT) study of the Mott insulators, which is based on the second order perturbation of the hybridization function. After careful benchmarki... This paper proposes an impurity solver for the dynamical mean field theory (DMFT) study of the Mott insulators, which is based on the second order perturbation of the hybridization function. After careful benchmarking with quantum Monte Carlo results on the anti-ferromagnetic phase of the Hubbard model, it concludes that this impurity solver can capture the main physical features in the strong coupling regime and can be a very useful tool for the LDA (local density approximation) + DMFT studies of the Mort insulators with long range order. 展开更多
关键词 dynamical mean field theory impurity solver Mott insulator antiferromagnetic order
在线阅读 下载PDF
Phase diagrams of spin-3/2 Ising model in the presence of random crystal field within the effective field theory based on two approximations
17
作者 Ali Yigit Erhan Albayrak 《Chinese Physics B》 SCIE EI CAS CSCD 2013年第10期186-191,共6页
The bimodal random crystal field (A) effects are investigated on the phase diagrams of spin-3/2 Ising model by using the effective-field theory with correlations based on two approximations: the general van der Wae... The bimodal random crystal field (A) effects are investigated on the phase diagrams of spin-3/2 Ising model by using the effective-field theory with correlations based on two approximations: the general van der Waerden identity and the approximated van der Waerden identity. In our approach, the crystal field is either turned on or turned off randomly for a given probability p or q = 1 -p, respectively. Then the phase diagrams are constructed on the (A,kT/J) and (p,kT/J) planes for given p and A, respectively, when the coordination number is z = 3. Furthermore, the effect of randomization of the crystal field is illustrated on the (△,kT/J) plane for p = 0.5 when z - 3,4, and 6. All these are carried out for both approximations and then the results are compared to point out the differences. In addition to the lines of second-order phase transitions, the model also exhibits first-order phase transitions and the lines of which terminate at the isolated critical points for high p values. 展开更多
关键词 spin-3/2 random crystal field effective-field theory isolated critical point
在线阅读 下载PDF
Investigations on Nuclei near Z = 82 in Relativistic Mean Field Theory with FSUGold
18
作者 圣宗强 任中洲 《Plasma Science and Technology》 SCIE EI CAS CSCD 2012年第6期534-538,共5页
In this work, the ground-state properties of Pt, Hg, Pb, and Po isotopes have been systematically investigated in the deformed relativistic mean field (RMF) theory with the new parameter set FSUGold. The calculated ... In this work, the ground-state properties of Pt, Hg, Pb, and Po isotopes have been systematically investigated in the deformed relativistic mean field (RMF) theory with the new parameter set FSUGold. The calculated results show that FSUGold is as successful as NL3 in reproducing the ground-state binding energies of the nuclei in this region. The calculated two- neutron separation energies, quadrupole deformations, and root-mean-square charge radii are in agreement with the experimental data. The parameter set FSUGold can successfully describe the shell effect of the neutron magic number N = 126 and give smaller neutron skin thicknesses than NL3 for all the nuclei considered. 展开更多
关键词 relativistic mean field theory parameter set FSUGold binding energy DEFORMATION
在线阅读 下载PDF
Inverse scattering method and soliton solution family for the Einstein-Maxwell theory with multiple Abelian gauge fields
19
作者 高亚军 《Chinese Physics B》 SCIE EI CAS CSCD 2008年第10期3574-3579,共6页
A Hauser-Ernst-type extended hyperbolic complex linear system given in our previous paper [Gao Y J 2004 Chin. Phys. 13 602] is slightly modified and used to develop a new inverse scattering method for the stationary a... A Hauser-Ernst-type extended hyperbolic complex linear system given in our previous paper [Gao Y J 2004 Chin. Phys. 13 602] is slightly modified and used to develop a new inverse scattering method for the stationary axisymmetric Einstein-Maxwell theory with multiple Abelian gauge fields. The reduction procedures in this inverse scattering method are found to be fairly simple, which makes the inverse scattering method be fine and effective in practical application. As an example, a concrete family of soliton solutions for the considered theory is obtained. 展开更多
关键词 Einstein-Maxwell theory with multiple Abelian gauge fields inverse scattering method soliton solution family
在线阅读 下载PDF
Discovering exact,gauge-invariant,local energy–momentum conservation laws for the electromagnetic gyrokinetic system by high-order field theory on heterogeneous manifolds
20
作者 Peifeng FAN Hong QIN Jianyuan XIAO 《Plasma Science and Technology》 SCIE EI CAS CSCD 2021年第10期120-136,共17页
Gyrokinetic theory is arguably the most important tool for numerical studies of transport physics in magnetized plasmas.However,exact local energy–momentum conservation laws for the electromagnetic gyrokinetic system... Gyrokinetic theory is arguably the most important tool for numerical studies of transport physics in magnetized plasmas.However,exact local energy–momentum conservation laws for the electromagnetic gyrokinetic system have not been found despite continuous effort.Without such local conservation laws,energy and momentum can be instantaneously transported across spacetime,which is unphysical and casts doubt on the validity of numerical simulations based on the gyrokinetic theory.The standard Noether procedure for deriving conservation laws from corresponding symmetries does not apply to gyrokinetic systems because the gyrocenters and electromagnetic field reside on different manifolds.To overcome this difficulty,we develop a high-order field theory on heterogeneous manifolds for classical particle-field systems and apply it to derive exact,local conservation laws,in particular the energy–momentum conservation laws,for the electromagnetic gyrokinetic system.A weak Euler–Lagrange(EL)equation is established to replace the standard EL equation for the particles.It is discovered that an induced weak EL current enters the local conservation laws,and it is the new physics captured by the high-order field theory on heterogeneous manifolds.A recently developed gauge-symmetrization method for high-order electromagnetic field theories using the electromagnetic displacement-potential tensor is applied to render the derived energy–momentum conservation laws electromagnetic gauge-invariant. 展开更多
关键词 electromagnetic gyrokinetic system high-order field theory heterogeneous manifolds exact local energy–momentum conservation laws weak Euler–Lagrange equation gauge-invariant theory
在线阅读 下载PDF
上一页 1 2 53 下一页 到第
使用帮助 返回顶部