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vip Review:Potential theory method for 3D crack and contact problems of multi-field coupled media: A survey 被引量:2
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作者 陈伟球 丁皓江 《Journal of Zhejiang University Science》 CSCD 2004年第9期1009-1021,共13页
This paper presents an overview of the recent progress of potential theory method in the analysis of mixed boundary value problems mainly stemming from three-dimensional crack or contact problems of multi-field couple... This paper presents an overview of the recent progress of potential theory method in the analysis of mixed boundary value problems mainly stemming from three-dimensional crack or contact problems of multi-field coupled media. This method was used to derive a series of exact three dimensional solutions which should be of great theoretical significance because most of them usually cannot be derived by other methods such as the transform method and the trial-and-error method. Further, many solutions are obtained in terms of elementary functions that enable us to treat more complicated problems easily. It is pointed out here that the method is usually only applicable to media characterizing transverse isotropy, from which, however, the results for the isotropic case can be readily obtained. 展开更多
关键词 Potential theory method Mixed boundary value problem Multi-field coupled media
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A Cost-Effective Approach to Precisely Estimate Singlet-Triplet Energy Gaps in MR-TADF Molecules:Combining Delta Self-Consistent Field and Time-Dependent Density Functional Theory Methods
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作者 Qian Jina Dong Wang 《Chinese Journal of Chemical Physics》 2026年第1期41-50,I0021-I0032,I0042,共23页
As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency... As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters. 展开更多
关键词 Organic light-emitting diode Multiple resonance thermally activated delayed fluorescence emitter Single-triplet energy gap Delta self-consistent field method Time-de-pendent density functional theory method
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GROUP THEORY METHODFOR ENUMERATION OFOUTERPLANAR GRAPHS
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作者 胡冠章 《Acta Mathematicae Applicatae Sinica》 SCIE CSCD 1998年第4期381-387,共7页
In this paper we give an enumeration formula of the outerplanar graphs by means of graph compression, group theory and combinatorial numbers. Some simple examples are exhibited for illustrating the method. The computa... In this paper we give an enumeration formula of the outerplanar graphs by means of graph compression, group theory and combinatorial numbers. Some simple examples are exhibited for illustrating the method. The computational results are shown in the table at the end of this paper. 展开更多
关键词 ENUMERATION outerplanar graphs group theory method compression method
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Design Theory and Method of Complex Products:A Review 被引量:4
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作者 Chan Qiu Jianrong Tan +2 位作者 Zhenyu Liu Haoyang Mao Weifei Hu 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2022年第5期1-16,共16页
Design is a high-level and complex thinking activity of human beings,using existing knowledge and technology to solve problems and create new things.With the rise and development of intelligent manufacturing,design ha... Design is a high-level and complex thinking activity of human beings,using existing knowledge and technology to solve problems and create new things.With the rise and development of intelligent manufacturing,design has increasingly reflected its importance in the product life cycle.Firstly,the concept and connotation of complex product design is expounded systematically,and the different types of design are discussed.The four schools of design theory are introduced,including universal design,axiomatic design,TRIZ and general design.Then the research status of complex product design is analyzed,such as innovative design,digital design,modular design,reliability optimization design,etc.Finally,three key scientific issues worthy of research in the future are indicated,and five research trends of“newer,better,smarter,faster,and greener”are summarized,aiming to provide references for the equipment design and manufacturing industry. 展开更多
关键词 Product design Design theory and method Innovative design Digital design
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Theory and Method of Mineral Resource Prediction Based on Synthetic Information 被引量:3
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作者 Wang Shicheng Ye Shuisheng Zhou Dongdai Mineral Resources Institute of Comprehensive Information Prediction, Jilin University, Changchun 130026 《Journal of China University of Geosciences》 SCIE CSCD 2003年第3期207-214,共8页
Metallogenic prognosis of synthetic information uses the geological body and the mineral resource body as a statistical unit to interpret synthetically the information of geology, geophysics, geochemistry and remote s... Metallogenic prognosis of synthetic information uses the geological body and the mineral resource body as a statistical unit to interpret synthetically the information of geology, geophysics, geochemistry and remote sensing from the evolution of geology and puts all the information into one entire system by drawing up digitalized interpretation maps of the synthetic information. On such basis, different grades and types of mineral resource prospecting models and predictive models of synthetic information can be established. Hence, a new integrated prediction system will be formed of metallogenic prognosis (qualitative prediction), mineral resources statistic prediction (determining targets) and mineral resources prediction (determining resources amount). 展开更多
关键词 synthetic information mineral resources prediction theory and method
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The theory and method research on the double evaluation of land and space:A survey 被引量:1
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作者 WANG You-xiao LU Ru-cheng 《Ecological Economy》 2020年第4期307-316,共10页
By reviewing the theories and methods of resource and environmental carrying capacity evaluation and suitability evaluation of land and space development,it provides theoretical and technical support for rational layo... By reviewing the theories and methods of resource and environmental carrying capacity evaluation and suitability evaluation of land and space development,it provides theoretical and technical support for rational layout and optimization of land and space development pattern.From the aspects of resource carrying capacity,environmental carrying capacity,the importance of ecological protection,the suitability of agricultural production,and the suitability of urban construction,we sort out domestic and foreign documents.The evaluation of resource carrying capacity has changed from single-factor evaluation to multi-factor comprehensive evaluation.At present,the optimization of land use pattern based on the“three-generation”space is still under exploration,it is not enough to systematize and summarize the thought of optimizing the spatial pattern of the national territory.The theoretical framework,model,method and index of“dual evaluation”of territorial space need to be improved continuously,it also needs the scientific analysis and cognition from the natural direction to the human location direction and the spatial equilibrium state as the new driving force. 展开更多
关键词 resource and environmental carrying capacity suitability of land and space development EVALUATION theory and method research progress
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Numerical Mathematics Theory,Methods and Applications
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《Numerical Mathematics(Theory,Methods and Applications)》 SCIE 2008年第2期F0002-F0002,共1页
Aims and Scope: Numerical Mathematics:Theory, Methods and Applications (NM-TMA) publishes high-quality original research papers on the construction,analysis and application of numerical methods for solving scientific ... Aims and Scope: Numerical Mathematics:Theory, Methods and Applications (NM-TMA) publishes high-quality original research papers on the construction,analysis and application of numerical methods for solving scientific problems.Important research and expository papers devoted to the numerical solution of mathematical problems arising in all areas of science and technology are expected.The journal originates from the journal Numerical Mathematics:A Journal of Chinese Universities (English Edition). 展开更多
关键词 TMA Numerical Mathematics theory methods and Applications WORK
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Numerical Mathematics Theory,Methods and Applications
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《Numerical Mathematics(Theory,Methods and Applications)》 SCIE 2008年第1期F0002-F0002,共1页
Aims and Scope: Numerical Mathematics:Theory, Methods and Applications(NM-TMA) publishes high-quality original
关键词 TMA Numerical Mathematics theory methods and Applications
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Theory of and Method for Nontraditional Mining Assessment
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《Journal of Earth Science》 SCIE CAS CSCD 2000年第2期49-51,共3页
关键词 theory of and method for Nontraditional Mining Assessment
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THE RATIONALISM THEORY AND ITS FINITE ELEMENT ANALYSIS METHOD OF SHELL STRUCTURES
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作者 李龙元 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 1990年第4期395-402,共8页
In this paper, a kind of rationalism theory of shell is established which is of different mechanic characters in tension and in compression, and the finite element numerical analysis method is also described.
关键词 THE RATIONALISM theory AND ITS FINITE ELEMENT ANALYSIS method OF SHELL STRUCTURES THAN
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The Theory and Methods Research on Ecological Quality Control of Enterprises
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作者 Han Furong 《China Standardization》 2005年第2期21-26,共6页
So far, most theories of economics and management are under the same premisethat the natural resources are never exhausted and regenerated repeatedly. The magic of technologybrought by industrial revolution endowed hu... So far, most theories of economics and management are under the same premisethat the natural resources are never exhausted and regenerated repeatedly. The magic of technologybrought by industrial revolution endowed human with power that they can do anything they want. Italso turns natural resources into industrial energy and enhances the development of human societyand civilization. Human uses direct comparison of input and output and the satisfaction degree ofdemands to measure the production activities, the economic benefit and management performance,regardless of the change of ecology that serves as the natural resources. However, since theecological environment has been changing worse recently and natural disaster happened frequentlyhuman's dream of conquering the nature has been broken. The nature implements reprisal against humanagain and again, and human is faced with the development limit because of the environmentalrestriction. 展开更多
关键词 The theory and methods Research on Ecological Quality Control of Enterprises
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RESEARCH ON THE THEORY AND METHODS OF COMPREHENSIVE EVALUATION OF REGIONAL COAL RESOURCES
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《石家庄经济学院学报》 1995年第S1期99-105,共7页
consists of forecasting for the total reserves of regional mineral resources and evaluation,compreIn general,based on evaluated objects and factors involved,evaluation of mineral resources hensive evaluation of region... consists of forecasting for the total reserves of regional mineral resources and evaluation,compreIn general,based on evaluated objects and factors involved,evaluation of mineral resources hensive evaluation of regional mineral resources, and economic and technical evaluation of deposits. Here a region can be a country, a province, or a mining area, while a deposit is mainly related to a single type of mineral, although it can contain more than one types of minerals. In the past, to assess mineral resources was primarily to evaluate and forecast the total reserves of regional mineral resources. With the advancement of science, technology, and economy, the evaluation of mineral resources has developed from forecasting the reserves of them to comprehensively evaluating them on the basis of numerous factors. 展开更多
关键词 RESEARCH ON THE theory AND methodS OF COMPREHENSIVE EVALUATION OF REGIONAL COAL RESOURCES
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GUIDE FOR AUTHORS
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《Plant Diversity》 2026年第1期I0003-I0007,共5页
Introduction Types of paper Contributions falling into the following categories will be considered for publication:original articles,review articles,short letters,modelling/theory and methods articles,rapid reports an... Introduction Types of paper Contributions falling into the following categories will be considered for publication:original articles,review articles,short letters,modelling/theory and methods articles,rapid reports and special thematic issues.Please ensure that you select the appropriate article type from the list of options when making your submission.Authors contributing to special issues should ensure that they select the special issue article type from this list. 展开更多
关键词 review articles modelling theory methods articles original articles short letters rapid reports special thematic issues
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Density Functional Theory Study on the Adsorption of Dioxygen on Small Pt-Pd Clusters 被引量:1
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作者 李钠 官文佳 +3 位作者 王艳丽 马琳 孙仁安 孙公权 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2007年第1期63-78,共16页
The electronic and physical properties of PtmPdn (m+n≤5) metal clusters and their interactions with dioxygen have been studied by using hybrid density functional B3LYP method. The total energies, atomization energ... The electronic and physical properties of PtmPdn (m+n≤5) metal clusters and their interactions with dioxygen have been studied by using hybrid density functional B3LYP method. The total energies, atomization energies, vibration frequencies, and charge distributions were reported. The Pt-Pt bridge site modified by Pd atoms was found to be the most active site for the dissociation of dioxygen, which was mainly due to the change of electronic structures of the Pt atoms in bimetallic Pt-Pd clusters. 展开更多
关键词 CLUSTERS bridge site charge transfer density functional theory method
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Regioselectivity Study on Propylene Polymerization Catalyzed by Neutral Salicyladiminato Pd(II) Model Complex with DFT Method
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作者 YANGZhao-Di LIUYue LIUYing 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2005年第6期723-728,共6页
Many attempts have been made to control the regioselectivity for olefin poly- merization by varying the structures of ligands in catalysts. The regioselectivity of propylene polymerization was investigated by replacin... Many attempts have been made to control the regioselectivity for olefin poly- merization by varying the structures of ligands in catalysts. The regioselectivity of propylene polymerization was investigated by replacing a nitrogen atom in the Pd(II) diimine catalyst with an oxygen atom from density functional theory method at the B3LYP/LANL2DZ level. The results show that the 1,2-insertion becomes a rival mechanism to the 2,1-insertion when the nitrogen atom is replaced by the oxygen atom leading to an asymmetric environment in the catalyst, and that the steric effect in the asymmetrical catalyst plays an important part in the polymerization. The insertion barrier from 2-O is much higher than that from 2-N. A pyramid transition state was characterized for the catalyst to convert 2-O back to 2-N through internal rotation. The propylene prefers to coordinate at the opposite side of O in the catalyst. This is the driving force for the internal rotation. The results are significant for isotactic and syndiotactic polymerization. 展开更多
关键词 regioselectivity salicyladiminato-Pd(II) catalyst propylene polymerization density functional theory method (DFT)
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Completeness of the system of eigenvectors of off-diagonal operator matrices and its applications in elasticity theory 被引量:7
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作者 黄俊杰 阿拉坦仓 王华 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第12期9-17,共9页
This paper deals with off-diagonal operator matrices and their applications in elasticity theory. Two kinds of completeness of the system of eigenvectors are proven, in terms of those of the compositions of two block ... This paper deals with off-diagonal operator matrices and their applications in elasticity theory. Two kinds of completeness of the system of eigenvectors are proven, in terms of those of the compositions of two block operators in the off-diagonal operator matrices. Using these results, the double eigenfunction expansion method for solving upper triangular matrix differential systems is proposed. Moreover, we apply the method to the two-dimensional elasticity problem and the problem of bending of rectangular thin plates on elastic foundation. 展开更多
关键词 off-diagonal operator matrix COMPLETENESS double eigenfunction expansion method elasticity theory
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Fluid–solid coupling analysis of rock pillar stability for concealed karst cave ahead of a roadway based on catastrophic theory 被引量:10
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作者 Zhao Yanlin Peng Qingyang +2 位作者 Wan Wen Wang Weijun Chen Bin 《International Journal of Mining Science and Technology》 SCIE EI 2014年第6期737-745,共9页
In order to study the mechanism of water inrush from a concealed, confined karst cave, we established a fluid–solid coupling model of water inrush from a concealed karst cave ahead of a roadway and a strength reducti... In order to study the mechanism of water inrush from a concealed, confined karst cave, we established a fluid–solid coupling model of water inrush from a concealed karst cave ahead of a roadway and a strength reduction method in a rock pillar for preventing water inrush based on catastrophic theory. Fluid–solid coupling effects and safety margins in a rock pillar were studied. Analysis shows that rock pillar instability, exerted by disturbance stress and seepage stress, is the process of rock pillar catastrophic destabilization induced by nonlinear extension of plastic zones in the rock pillar. Seepage flow emerges in the rock pillar for preventing water inrush, accompanied by mechanical instability of the rock pillar. Taking the accident of a confined karst cave water-inrush of Qiyi Mine as an example, by studying the safety factor of the rock pillar and the relationship between karst cave water pressure and thickness of the rock pillar,it is proposed that rock pillar thickness with a safety factor equal to 1.5 is regarded as the calculated safety thickness of the rock pillar, which should be equal to the sum of the blasthole depth, blasting disturbance depth and the calculated safety thickness of the rock pillar. The cause of the karst water inrush at Qiyi Mine is that the rock pillar was so small that it did not possess a safety margin. Combining fluid–solid coupling theory, catastrophic theory and strength reduction method to study the nonlinear mechanical response of complicated rock engineering, new avenues for quantitative analysis of rock engineering stability evaluation should be forthcoming. 展开更多
关键词 Rock mechanics Catastrophic theory Shear strength reduction method Karst water inrush Safety factor
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Bolt support mechanism based on elastic theory 被引量:9
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作者 Guo Xiaoqian Mao Xianbiao +1 位作者 Ma Chao Huang Jinglong 《International Journal of Mining Science and Technology》 SCIE EI 2013年第4期468-473,共6页
Mechanical model of anchorage surrounding rock considering tray effect was established based on elastic theory,in order to study the mechanism of bolt supporting.Elastic solutions of normal force at point in the inter... Mechanical model of anchorage surrounding rock considering tray effect was established based on elastic theory,in order to study the mechanism of bolt supporting.Elastic solutions of normal force at point in the interior of a semi-infnite solid were obtained by means of classical displacement function method in elasticity.The factors which influence stress of bolted surrounding rock,such as the length of bolt and tray effect,were analyzed.The absolute value of stress along bolt axes decreased rapidly with an increase in radical distance and the maximum appeared near ends of bolt.With increasing radical distance,the value of radical stress changed from positive to negative roughly and then increased to zero,with maximum at the middle of bolt.The evolution of hoop stress as radical distance increasing was similar with stress along bolt axes.With an increase in depth,the radical effect ranges of all normal stress components were reduced.These suggest that the effect from tray on stress along bolt axes of bolted surrounding rock could be neglected,except near surface of surrounding rock. 展开更多
关键词 Elastic theory Bolt support Displacement function method Stress along bolt axes
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Powell dynamic identification of displacement parameters of indeterminate thin-walled curve box based on FCSE theory 被引量:5
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作者 Jian Zhang Chu-Wei Zhou Jia-Shou Zhuo 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2011年第3期452-460,共9页
The FCSE controlling equation of pinned thinwalled curve box was derived and the indeterminate problem of continuous thin-walled curve box with diaphragm was solved based on flexibility theory. With Bayesian statistic... The FCSE controlling equation of pinned thinwalled curve box was derived and the indeterminate problem of continuous thin-walled curve box with diaphragm was solved based on flexibility theory. With Bayesian statistical theory,dynamic Bayesian error function of displacement parameters of indeterminate curve box was founded. The corresponding formulas of dynamic Bayesian expectation and variance were deduced. Combined with one-dimensional Fibonacci automatic search scheme of optimal step size,the Powell optimization theory was utilized to research the stochastic identification of displacement parameters of indeterminate thin-walled curve box. Then the identification steps were presented in detail and the corresponding calculation procedure was compiled. Through some classic examples,it is obtained that stochastic performances of systematic parameters and systematic responses are simultaneously deliberated in dynamic Bayesian error function. The one-dimensional optimization problem of the optimal step size is solved by adopting Fibonacci search method. And the Powell identification of displacement parameters of indeterminate thin-walled curve box has satisfied numerical stability and convergence,which demonstrates that the presented method and the compiled procedure are correct and reliable.During parameters鈥?iterative processes,the Powell theory is irrelevant with the calculation of finite curve strip element(FCSE) partial differentiation,which proves high computation effciency of the studied method. 展开更多
关键词 Powell theory - Indeterminate curve box . Displacement parameters - Fibonacci search method.Flexibility theory
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