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Charge self-consistent dynamical mean field theory calculations incombination with linear combination of numerical atomic orbitalsframework based density functional theory
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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
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The Dynamic System Theory of Legal Protection for Personal Information Rights Infringement
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作者 莫杨燊 NI Weis 《The Journal of Human Rights》 2024年第1期143-172,共30页
The advent of the big data era has presented unprecedented challenges to remedies for personal information infringement in areas such as damage assessment,proof of causation,determination of illegality,fault assessmen... The advent of the big data era has presented unprecedented challenges to remedies for personal information infringement in areas such as damage assessment,proof of causation,determination of illegality,fault assessment,and liability.Traditional tort law is unable to provide a robust response for these challenges,which severely hinders human rights protection in the digital society.The dynamic system theory represents a third path between fixed constitutive elements and general clauses.It both overcomes the rigidity of the“allor-nothing”legal effect evaluation mechanism of the“element-effect”model and avoids the uncertainty of the general clause model.It can effectively enhance the flexibility of the legal system in responding to social changes.In light of this,it is necessary to construct a dynamic foundational evaluation framework for personal information infringement under the guidance of the dynamic system theory.By relying on the dynamic interplay effect of various foundational evaluation elements,this framework can achieve a flexible evaluation of the constitutive elements of liability and the legal effects of liability for personal information infringement.Through this approach,the crisis of personal information infringement in the era of big data can be mitigated,and the realization of personal information rights as digital human rights can be promoted. 展开更多
关键词 personal information digital human rights dynamic system theory constitutive elements of torts LIABILITY
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Structural,Electrical,and Lithium Ion Dynamics of Li2MnO3 from Density Functional Theory
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作者 陈永昌 霍苗 +5 位作者 刘洋 陈桐 冷成财 李强 孙兆林 宋丽娟 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第1期132-136,共5页
The layered Li2MnO3 is investigated by using the first-principles calculations within the GGA and GGA-t-U scheme, respectively. Within the GGA4-U approach, the calculated intercalation voltage (ranges from 4,5 V to 4... The layered Li2MnO3 is investigated by using the first-principles calculations within the GGA and GGA-t-U scheme, respectively. Within the GGA4-U approach, the calculated intercalation voltage (ranges from 4,5 V to 4.9 V) is found to be in good agreement with experiments. From the analysis of electronic structure, the pure phase Li2MnO3 is insulating, which is indicative of poor electronic-conduction properties. However, further studies of lithium ion diffusion in bulk Li2MnO3 show that unlike the two-dimensional diffusion pathways in rock salt structure layered cathode materials, lithium can diffuse in a three-dimensional pathway in Li2MnO3, with moderate lithium migration energy barrier ranges from 0.57 to 0.63 e V. 展开更多
关键词 Li Structural Electrical and Lithium Ion dynamics of Li2MnO3 from Density Functional theory MNO
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Constructing a Teaching Evaluation Model for the Course of Beijing World Cultural Heritage Based on Dynamic Assessment Theory
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作者 TAN Hao XIANYU Jing 《Sino-US English Teaching》 2023年第4期137-142,共6页
The rapid development of international tourism has led to an increasing demand for English professionals. In order to meet this demand, universities have placed greater emphasis on the quality and level of teaching in... The rapid development of international tourism has led to an increasing demand for English professionals. In order to meet this demand, universities have placed greater emphasis on the quality and level of teaching in the courses of tourism English. This paper proposes a dynamic evaluation model for tourism English courses, based on the principles of dynamic assessment theory, such as process-orientation, evaluation-teaching integration, and multiple interactions. Taking the course of Beijing World Cultural Heritage as an example, the model is instantiated to demonstrate the feasibility of applying dynamic assessment theory to tourism English courses and this model helps to provide a reference for the evaluation methods of English courses. 展开更多
关键词 dynamic assessment theory assessment mode Beijing World Heritage Course
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Intensity correlation properties of x-ray beams split with Laue diffraction
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作者 赵昌哲 司尚禹 +3 位作者 张海鹏 薛莲 李中亮 肖体乔 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期379-383,共5页
Beam splitting is one of the main approaches to achieving x-ray ghost imaging, and the intensity correlation between diffraction beam and transmission beam will directly affect the imaging quality. In this paper, we i... Beam splitting is one of the main approaches to achieving x-ray ghost imaging, and the intensity correlation between diffraction beam and transmission beam will directly affect the imaging quality. In this paper, we investigate the intensity correlation between the split x-ray beams by Laue diffraction of stress-free crystal. The analysis based on the dynamical theory of x-ray diffraction indicates that the spatial resolution of diffraction image and transmission image are reduced due to the position shift of the exit beam. In the experimental setup, a stress-free crystal with a thickness of hundredmicrometers-level is used for beam splitting. The crystal is in a non-dispersive configuration equipped with a double-crystal monochromator to ensure that the dimension of the diffraction beam and transmission beam are consistent. A correlation coefficient of 0.92 is achieved experimentally and the high signal-to-noise ratio of the x-ray ghost imaging is anticipated.Results of this paper demonstrate that the developed beam splitter of Laue crystal has the potential in the efficient data acquisition of x-ray ghost imaging. 展开更多
关键词 x-ray ghost imaging beam splitting with Laue diffraction intensity correlation dynamical theory of x-ray diffraction
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Half-metallic ferromagneticWeyl fermions related to dynamic correlations in the zinc-blende compound VAs
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作者 Xianyong Ding Haoran Wei +3 位作者 Ruixiang Zhu Xiaoliang Xiao Xiaozhi Wu Rui Wang 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第9期528-533,共6页
The realization of 100%polarized topologicalWeyl fermions in half-metallic ferromagnets is of particular importance for fundamental research and spintronic applications.Here,we theoretically investigate the electronic... The realization of 100%polarized topologicalWeyl fermions in half-metallic ferromagnets is of particular importance for fundamental research and spintronic applications.Here,we theoretically investigate the electronic and topological properties of the zinc-blende compound VAs,which was deemed as a half-metallic ferromagnet related to dynamic correlations.Based on the combination of density functional theory and dynamical mean field theory,we uncover that the half-metallic ferromagnet VAs exhibits attractive Weyl semimetallic behaviors which are very close to the Fermi level in the DFT+U regime with effect U values ranging from 1.5 eV to 2.5 eV.Meanwhile,we also investigate the magnetization-dependent topological properties;the results show that the change of magnetization directions only slightly affects the positions of Weyl points,which is attributed to the weak spin–orbital coupling effects.The topological surface states of VAs projected on semi-infinite(001)and(111)surfaces are investigated.The Fermi arcs of all Weyl points are clearly visible on the projected Fermi surfaces.Our findings suggest that VAs is a fully spin-polarized Weyl semimetal with many-body correlated effects in the effective U values range from 1.5 eV to 2.5 eV. 展开更多
关键词 density functional theory Weyl semimetal dynamical mean field theory half metallic ferromagnet
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ON SOME BASIC PRINCIPLES IN DYNAMIC THEORY OF ELASTIC MATERIALS WITH VOIDS 被引量:2
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作者 罗恩 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 1993年第2期142-148,共7页
According to the basic idea of dual-complementarity,in a simple and unified way proposed by the author,some basic principles in dynamic theory of elastic materials with voids can be established sys- tematically.In thi... According to the basic idea of dual-complementarity,in a simple and unified way proposed by the author,some basic principles in dynamic theory of elastic materials with voids can be established sys- tematically.In this paper, an important integral relation in terms of convolutions is given,which can be con- sidered as the generalized principle of virtual work in mechanics.Based on this relation,it is possible not on- ly to obtain the principle of virtual work and the reciprocal theorem in dynamic theory of elastic materials with voids,but also to derive systematically the complementary functionals for the eight-field,six-field, four-field and two-field simplified Gurtin-type variational principles.Furthermore,with this approach,the in- trinsic relationship among various principles can be explained clearly. 展开更多
关键词 dynamic theory of elastic materials with voids principle of virtual work reciprocal theorem variational principle complementary relation
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Generalization of iterative perturbation theory and coherent potential approximation (ITP+CPA) to double exchange model with orbital degeneracy 被引量:2
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作者 刘自信 文生辉 李明 《Chinese Physics B》 SCIE EI CAS CSCD 2008年第6期2277-2280,共4页
A combination of the iterative perturbation theory (ITP) of the dynamical mean field theory (DMFT) and coherentpotential approximation (CPA) is generalized to the double exchange model with orbital degeneracy. T... A combination of the iterative perturbation theory (ITP) of the dynamical mean field theory (DMFT) and coherentpotential approximation (CPA) is generalized to the double exchange model with orbital degeneracy. The Hubbard interaction and the off-diagonal components for the hopping matrix tij^mn(m ≠ n) are considered in our calculation of spectrum and optical conductivity. The numerical results show that the effects of the non-diagonal hopping matrix elements are important. 展开更多
关键词 iterative perturbation theory coherent-potential approximation dynamical mean field theory optical conductivity
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AXIAL HEAT CONDUCTION MODEL TO PREDICT MAXIMUM HEAT REMOVE OF MINIATURE HEAT PIPE BASED ON GREY MODEL THEORY 被引量:3
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作者 Tsai Mengchang Chang Shinhsing Kang Shungwen 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2005年第4期477-481,共5页
Computer chip is always accompanied by the increase of heat dissipation and miniaturization. The miniature heat pipes are widely used in notebook computer to resolve the heat dissipation problems. Maximum heat removed... Computer chip is always accompanied by the increase of heat dissipation and miniaturization. The miniature heat pipes are widely used in notebook computer to resolve the heat dissipation problems. Maximum heat removed model of miniature heat pipes building by grey model is presented. In order to know the foundation for modeling, the smooth grade of error examination is inquired and the accuracy of grey relational grade is verified. The model can be used to select a suitable heat pipes to solve electric heat problems in the future. Final results show that the grey model only needs four experiment data and its error value is less than 10%, further, it is better than computational fluid dynamics (CFD) model. 展开更多
关键词 Maximum heat removed model Miniature heat pipe Grey model theory Computational fluid dynamics (CFD) Grey relational grade
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A Nonlinear Dynamical Theory of Non-Classical Plates
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作者 叶志明 《Advances in Manufacturing》 SCIE CAS 1997年第1期28-35,共8页
In ths paper. a new nonlinear formulation of plates. including shear and rotatory inertia and transverse normal stress effects, is developed by means of general assumptions, of which the von Karman-type formulation an... In ths paper. a new nonlinear formulation of plates. including shear and rotatory inertia and transverse normal stress effects, is developed by means of general assumptions, of which the von Karman-type formulation and some thick plate theories are special cases. To keep the formulation fairly general, the problem addressed in this paper simultaneously includes: the effects of shear deformation according to the geometric deformation similarity of the crosssection, the rotatory inertia, and the transverse normal stress. The three-dimensional compatible equations are applied to derive the basic equations. Numerical results are given for linear and non-linear analysis of plates. 展开更多
关键词 Non-classical plate Dynamical theory Shear & rotatory inertia Transverse normal stress
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THE COUPLING DYNAMICAL MODELING THEORY OF FLEXIBLE MULTIBODY SYSTEM
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作者 Jiang, LZ Hong, JZ 《Acta Mechanica Solida Sinica》 SCIE EI 1999年第4期365-372,共8页
Based on the deformation theory of elastic beams, the coupling effect between the coupling displacements of a point on the middle line of beam and large overall motion is presented. The 'coupling matrix library... Based on the deformation theory of elastic beams, the coupling effect between the coupling displacements of a point on the middle line of beam and large overall motion is presented. The 'coupling matrix library' and Jourdain's variation principle and single direction recursive formulation method are used to establish the general coupling dynamical equations of flexible multibody system. Two typical examples show the coupling effect between coupling displacements and large overall motion on the dynamics of flexible multibody system consisting of beams. 展开更多
关键词 coupling displacement coupling dynamical modeling theory large overall motion single direction recursive formulation flexible multibody system
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Fast impurity solver for dynamical mean field theory based on second order perturbation around the atomic limit
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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
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Decision-Making Model for Farmer Choosing Land Use Based upon Dynamic Optimization Theory
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作者 张学军 王顺洪 《Journal of Southwest Jiaotong University(English Edition)》 2009年第3期248-252,共5页
Using the dynamic optimization theory, we described a decision-making model for farmer choosing land use when there are several different kinds of uses for land. To obtain an empirical model that could be easily appli... Using the dynamic optimization theory, we described a decision-making model for farmer choosing land use when there are several different kinds of uses for land. To obtain an empirical model that could be easily applied, decision rules for farmer with a single static expectation were given. 展开更多
关键词 Land use Dynamic optimization theory Decision-making model
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Modal interactions in primary and subharmonic resonant dynamics of imperfect microplates with geometric nonlinearities
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作者 Hamed Farokhi Mergen H.Ghayesh 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2016年第3期469-480,共12页
This paper analyses the modal interactions in the nonlinear, size-dependent dynamics of geometrically imperfect microplates. Based on the modified couple stress theory,the equations of motion for the in-plane and out-... This paper analyses the modal interactions in the nonlinear, size-dependent dynamics of geometrically imperfect microplates. Based on the modified couple stress theory,the equations of motion for the in-plane and out-of-plane motions are obtained employing the von Kármán plate theory as well as Kirchhoff's hypotheses by means of the Lagrange equations. The equations of motions are solved using the pseudo-arclength continuation technique and direct timeintegration method. The system parameters are tuned to the values associated with modal interactions, and then nonlinear resonant responses and energy transfer are analysed.Nonlinear motion characteristics are shown in the form of frequency-response and force-response curves, time histories, phase-plane portraits, and fast Fourier transforms. 展开更多
关键词 Modal interactions Microplate Sizedependent dynamics Modified couple stress theory Stability
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Developmental Routines of Oral English Ability for English Major Students:Based on Complex and Dynamic Systems Theory
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作者 MA Yi-ze CHEN Zheng 《Journal of Literature and Art Studies》 2022年第9期916-924,共9页
This study employs a Q methodology to explore the developmental routines of oral English ability for 12 English major students in China inspired by Complex and Dynamic Systems Theory(CDST).The data analysis suggests t... This study employs a Q methodology to explore the developmental routines of oral English ability for 12 English major students in China inspired by Complex and Dynamic Systems Theory(CDST).The data analysis suggests the next findings:(1)two developmental patterns emerge as the gradual improvement and the strong phase shift influenced by internal and external factors for interactions among different subsystems;(2)guided by CDST,the study proves the importance of self-organization and initial condition in previous studies.According to the above findings,It is highly suggested for teachers to form a holistic view of students’oral English development concerning the non-linear characteristic and individual differences. 展开更多
关键词 oral English Complex and Dynamic Systems theory(CDST) developmental routines Q methodology
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To watch English Chinese Translation of online language from the perspective of the theory of dynamic
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作者 Haixia Zhou 《International Journal of Technology Management》 2015年第7期40-42,共3页
English and Chinese belong to different language families, so they have difference on their own characteristics, habits expression, syntactic structure and many other aspects. Nida' s dynamic equivalence theory think... English and Chinese belong to different language families, so they have difference on their own characteristics, habits expression, syntactic structure and many other aspects. Nida' s dynamic equivalence theory thinks that translation is not Simple literal equivalence, but it is corresponding to two languages meanings and styles that are not rigidly adhered to forms. Therefore, we also need consider the cultural context in addition to understanding features of two languages in the process of translation, This paper makes a preliminary summary research on the parts of speech translation of English and Chinese translation to help translators better to deal with the parts of speech translation in the English and Chinese translation under the guidance of dynamic equivalence. 展开更多
关键词 dynamic equivalence theory network terms English and Chinese translation
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Dynamic Quantity Theory of Money:Research on Monetary Cycle and Business Cycle Based on the Concepts of Issuing Money and Operating Money
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作者 Liankui Gao 《Proceedings of Business and Economic Studies》 2022年第1期1-7,共7页
The Quantity Theory of Money and the Theory of Credit Creation have been the major streams in the study of the quantity of money.Nowadays,monetary theory is dominated by the Quantity Theory of Money because the Moneta... The Quantity Theory of Money and the Theory of Credit Creation have been the major streams in the study of the quantity of money.Nowadays,monetary theory is dominated by the Quantity Theory of Money because the Monetarist School and the Rational Expectation School are both the advocates of the Quantity Theory of Money,which has resulted in a sharp decrease of scholars studying the Theory of Credit Creation.Nevertheless,the two theories will ultimately converge.Given that reason,we propose a new theory-Dynamic Quantity Theory of Money in this paper,by which the unification of the Quantity Theory of Money and the Theory of Credit Creation can be achieved.Based on the Dynamic Quantity Theory of Money,we further put forward the Theory of Money Operation Cycle,the Theory of Monetary Compensation and Theory of Investment Compensation targeting economic crises,expound why Quantitative Easing monetary policy fails and why Quantitative Easing does not cause inflation in the short term under the premise of these theories,and demonstrate the necessity of fiscal investment for rescuing economic crisis from the perspective of theories of money. 展开更多
关键词 Dynamic Quantity theory of Money Issuing money Operating money Monetary compensation and investment compensation Monetary cycle
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Call for papers Journal of Control Theory and Applications Special issue on Approximate dynamic programming and reinforcement learning
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《控制理论与应用(英文版)》 EI 2010年第2期257-257,共1页
Approximate dynamic programming (ADP) is a general and effective approach for solving optimal control and estimation problems by adapting to uncertain and nonconvex environments over time.
关键词 Call for papers Journal of Control theory and Applications Special issue on Approximate dynamic programming and reinforcement learning
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Structural, electronic and magnetic properties of Fe-doped strontium ruthenates
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作者 刘楠 王晓超 司良 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第11期96-104,共9页
By employing a combined approach of density-functional theory(DFT) and dynamical mean-field theory(DMFT) calculations, we examine the structural, electronic, and magnetic characteristics of two distinct strontium ruth... By employing a combined approach of density-functional theory(DFT) and dynamical mean-field theory(DMFT) calculations, we examine the structural, electronic, and magnetic characteristics of two distinct strontium ruthenates: Sr2RuO4,an unconventional superconductor, and the correlated metal SrRuO3, both at 50% Fe-doping level. In both Sr2Fe0.5Ru0.5O4and SrFe0.5Ru0.5O3, the original ruthenium(Ru) and the dopant iron(Fe) atoms adopt 3-dimensional and 2-dimensional G-type structures, respectively. The hybridization between Fe-3d and Ru-4d is comparatively weaker than in other double perovskite systems. The interplay between strong correlations and reduced itinerancy results in significant spin splitting at Fe and Ru sites. Consequently, a charge transfer process, along with the super-exchange effect, leads to antiferromagnetically coupled Fe3+and Ru5+ions and establishes a semiconducting ferrimagnetic order. Subsequent DMFT calculations demonstrate the persistence of the ferrimagnetic order even at room temperature(300 K). These findings align with prior reports on Sr Fe0.5Ru0.5O3, thus reinforcing the notion that 3d–4d transition metal oxides hold considerable promise as candidates for high-performance spintronic devices, such as spin-valve sensors and spintronic giant magnetoresistance devices. 展开更多
关键词 first-principles calculations double perovskites correlation effects dynamical mean-field theory
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The transmission mechanism theory of disease dynamics:Its aims,assumptions and limitations
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作者 Winston Garira Bothwell Maregere 《Infectious Disease Modelling》 CSCD 2023年第1期122-144,共23页
Most of the progress in the development of single scale mathematical and computational models for the study of infectious disease dynamics which now span over a century is build on a body of knowledge that has been de... Most of the progress in the development of single scale mathematical and computational models for the study of infectious disease dynamics which now span over a century is build on a body of knowledge that has been developed to address particular single scale descriptions of infectious disease dynamics based on understanding disease transmission process.Although this single scale understanding of infectious disease dynamics is now founded on a body of knowledge with a long history,dating back to over a century now,that knowledge has not yet been formalized into a scientific theory.In this article,we formalize this accumulated body of knowledge into a scientific theory called the transmission mechanism theory of disease dynamics which states that at every scale of organization of an infectious disease system,disease dynamics is determined by transmission as the main dynamic disease process.Therefore,the transmission mechanism theory of disease dynamics can be seen as formalizing knowledge that has been inherent in the study of infectious disease dynamics using single scale mathematical and computational models for over a century now.The objective of this article is to summarize this existing knowledge about single scale modelling of infectious dynamics by means of a scientific theory called the transmission mechanism theory of disease dynamics and highlight its aims,assumptions and limitations. 展开更多
关键词 Single scale modelling of infectious disease dynamics Multiscale modelling of infectious disease dynamics Scales of organization of infectious disease system Transmission mechanism theory of disease dynamics Levels of organization of infectious disease system The replication-transmission relativity theory of disease dynamics
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