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
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
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
Self-assembled nanostructures of lipids and nanoparticles hold great promise for applications in such fields as nanomedicine. This paper uses the self-consistent field theory to investigate the self-assembly behavior ...Self-assembled nanostructures of lipids and nanoparticles hold great promise for applications in such fields as nanomedicine. This paper uses the self-consistent field theory to investigate the self-assembly behavior of lipid molecules and nanoparticles with different shapes in an aqueous solution. It is found that the lipid molecules can form monolayered and bilayered nanostructures around the nanopartieles with different shapes （e.g., triangular, square, hexagonal and octangular）. With decreasing the size of nanoparticles or increasing the number of polygon edges, the shape of lipid layers will approach an approximately spherical shape. These findings may help to predict and design novel drug delivery nanocarriers.展开更多
Although the Chinese visual poetry and western visual poetry have a lot of differences,the similarity of visual poetry is the combination of poetry and painting.This research will apply the method of comparative analy...Although the Chinese visual poetry and western visual poetry have a lot of differences,the similarity of visual poetry is the combination of poetry and painting.This research will apply the method of comparative analysis and multimodal theories,aiming to provide a new view to evaluate Chinese and western poetry,so as to promote the aesthetic experiences of Chinese and western culture for public.The research finds that Chinese and western poetry can be analyzed from the perspective of framework of visual-image analysis based on multimodal theories,which is composed of three major meanings:representation,interaction and composition.The comparative aesthetics based on the multimodal theories is of great significance to the appreciation and enjoyment of Chinese and western visual poetry.展开更多
Nowadays, the multimodal discourse analysis theory becomes increasingly important in the language teaching. This paper tries to elaborate the ways to apply the multimodal discourse analysis theory into College English...Nowadays, the multimodal discourse analysis theory becomes increasingly important in the language teaching. This paper tries to elaborate the ways to apply the multimodal discourse analysis theory into College English teaching after analyzing the status-quo of College English teaching on the basis of the theory and the significance of the application of multimodal discourse analysis theory in the College English teaching, hoping to contribute to the College English teaching reform.展开更多
It is based on multimodal discourse theory,with the help of a questionnaire survey,to study the multimodal choice of online courses and its dominant factors under the condition of virtual technology.It puts forward ta...It is based on multimodal discourse theory,with the help of a questionnaire survey,to study the multimodal choice of online courses and its dominant factors under the condition of virtual technology.It puts forward targeted implementation suggestions for online teaching and providings references for the rapid deployment and implementation of online teaching in domestic colleges and universities.展开更多
This paper proposes a multimodal biometric system through Gaussian Mixture Model (GMM) for face and ear biometrics with belief fusion of the estimated scores characterized by Gabor responses and the proposed fusion is...This paper proposes a multimodal biometric system through Gaussian Mixture Model (GMM) for face and ear biometrics with belief fusion of the estimated scores characterized by Gabor responses and the proposed fusion is accomplished by Dempster-Shafer (DS) decision theory. Face and ear images are convolved with Gabor wavelet filters to extracts spatially enhanced Gabor facial features and Gabor ear features. Further, GMM is applied to the high-dimensional Gabor face and Gabor ear responses separately for quantitive measurements. Expectation Maximization (EM) algorithm is used to estimate density parameters in GMM. This produces two sets of feature vectors which are then fused using Dempster-Shafer theory. Experiments are conducted on two multimodal databases, namely, IIT Kanpur database and virtual database. Former contains face and ear images of 400 individuals while later consist of both images of 17 subjects taken from BANCA face database and TUM ear database. It is found that use of Gabor wavelet filters along with GMM and DS theory can provide robust and efficient multimodal fusion strategy.展开更多
Multimodal Discourse Analysis which is based on the Systematic Functional Linguistic Theory has been hotly discussed in the field of linguistics and social semiotics recently.Based on Kress and Van Leeuween s the Gram...Multimodal Discourse Analysis which is based on the Systematic Functional Linguistic Theory has been hotly discussed in the field of linguistics and social semiotics recently.Based on Kress and Van Leeuween s the Grammar of Visual Design,this paper analyzes the advertisement of Vivo from the representational meaning,interactive meaning and compositional meaning of the images.This reveals the expressional function of the images as a kind of social semiotics.展开更多
基金supported in part by the 1000 Talents Program of Chinathe Zhengzhou Materials Genome Institute+2 种基金the National Natural Science Foundation of China(No.51001091,51571182,111174256,91233101,51602094,11274100)the Fundamental Research Program from the Ministry of Science and Technology of China(No.2014CB931704)the Program for Science&Technology Innovation Talents in the Universities of Henan Province(18HASTIT009)。
文摘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.
基金Project supports by the National Natural Science Foundation of China(Grant Nos.21074062 and 11174163)the Scientific Research Foundation for the Returned Overseas Chinese Scholars,Ministry of Education of Chinathe Scientific Research Fund of Zhejiang Provincial Educational Department,China(Grant No.Y200907455)
文摘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.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11421101 and 21274005)the Natural Sciences and Engineering Research Council(NSERC)of Canada
文摘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.
基金supported by the National Natural Science Foundation of China(10972121)the Ministry of Education (SRFDP 20090002110047)the 973 Program of MOST(2012CB934101)
文摘Self-assembled nanostructures of lipids and nanoparticles hold great promise for applications in such fields as nanomedicine. This paper uses the self-consistent field theory to investigate the self-assembly behavior of lipid molecules and nanoparticles with different shapes in an aqueous solution. It is found that the lipid molecules can form monolayered and bilayered nanostructures around the nanopartieles with different shapes （e.g., triangular, square, hexagonal and octangular）. With decreasing the size of nanoparticles or increasing the number of polygon edges, the shape of lipid layers will approach an approximately spherical shape. These findings may help to predict and design novel drug delivery nanocarriers.
文摘Although the Chinese visual poetry and western visual poetry have a lot of differences,the similarity of visual poetry is the combination of poetry and painting.This research will apply the method of comparative analysis and multimodal theories,aiming to provide a new view to evaluate Chinese and western poetry,so as to promote the aesthetic experiences of Chinese and western culture for public.The research finds that Chinese and western poetry can be analyzed from the perspective of framework of visual-image analysis based on multimodal theories,which is composed of three major meanings:representation,interaction and composition.The comparative aesthetics based on the multimodal theories is of great significance to the appreciation and enjoyment of Chinese and western visual poetry.
文摘Nowadays, the multimodal discourse analysis theory becomes increasingly important in the language teaching. This paper tries to elaborate the ways to apply the multimodal discourse analysis theory into College English teaching after analyzing the status-quo of College English teaching on the basis of the theory and the significance of the application of multimodal discourse analysis theory in the College English teaching, hoping to contribute to the College English teaching reform.
文摘It is based on multimodal discourse theory,with the help of a questionnaire survey,to study the multimodal choice of online courses and its dominant factors under the condition of virtual technology.It puts forward targeted implementation suggestions for online teaching and providings references for the rapid deployment and implementation of online teaching in domestic colleges and universities.
文摘This paper proposes a multimodal biometric system through Gaussian Mixture Model (GMM) for face and ear biometrics with belief fusion of the estimated scores characterized by Gabor responses and the proposed fusion is accomplished by Dempster-Shafer (DS) decision theory. Face and ear images are convolved with Gabor wavelet filters to extracts spatially enhanced Gabor facial features and Gabor ear features. Further, GMM is applied to the high-dimensional Gabor face and Gabor ear responses separately for quantitive measurements. Expectation Maximization (EM) algorithm is used to estimate density parameters in GMM. This produces two sets of feature vectors which are then fused using Dempster-Shafer theory. Experiments are conducted on two multimodal databases, namely, IIT Kanpur database and virtual database. Former contains face and ear images of 400 individuals while later consist of both images of 17 subjects taken from BANCA face database and TUM ear database. It is found that use of Gabor wavelet filters along with GMM and DS theory can provide robust and efficient multimodal fusion strategy.
文摘Multimodal Discourse Analysis which is based on the Systematic Functional Linguistic Theory has been hotly discussed in the field of linguistics and social semiotics recently.Based on Kress and Van Leeuween s the Grammar of Visual Design,this paper analyzes the advertisement of Vivo from the representational meaning,interactive meaning and compositional meaning of the images.This reveals the expressional function of the images as a kind of social semiotics.
