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First-principles study on the structure-property relationship of AlX and InX(X=N,P,As,Sb)
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作者 HE Zhihao DING Jiafu +1 位作者 WANG Yunjie SU Xin 《无机化学学报》 北大核心 2025年第5期1007-1019,共13页
This paper delves into the theoretical mechanisms of the electronic structure and optical properties of aluminum-based semiconductors(AlX,X=N,P,As,Sb)and indium-based semiconductors(InX,X=N,P,As,Sb)as potential materi... This paper delves into the theoretical mechanisms of the electronic structure and optical properties of aluminum-based semiconductors(AlX,X=N,P,As,Sb)and indium-based semiconductors(InX,X=N,P,As,Sb)as potential materials for optical devices.Band structure calculations reveal that,except for InSb,all other compounds are direct bandgap semiconductors,with AlN exhibiting a bandgap of 3.245 eV.The valence band maximum of these eight compounds primarily stems from the p-orbitals of Al/In and X.In contrast,the conduction band minimum is influenced by all orbitals,with a predominant contribution from the p-orbitals.The static dielectric constant increased with the expansion of the unit cell volume.Compared to AlX and InX with larger X atoms,AlN and InN showed broader absorption spectra in the near-ultraviolet region and higher photoelectric conductance.Regarding mechanical properties,AlN and InN displayed greater shear and bulk modulus than the other compounds.Moreover,among these eight crystal types,a higher modulus was associated with a lower light loss function value,indicating that AlN and InN have superior transmission efficiency and a wider spectral range in optoelectronic material applications. 展开更多
关键词 aluminium‑based semiconductor indium‑based semiconductor first principle electronic structure optical property
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First‑principles study on electronic structure,optical and magnetic properties of rare earth elements X(X=Sc,Y,La,Ce,Eu)doped with two‑dimensional GaSe 被引量:3
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作者 QIU Shenhao XIAO Qingquan +1 位作者 TANG Huazhu XIE Quan 《无机化学学报》 SCIE CAS CSCD 北大核心 2024年第11期2250-2258,共9页
The electronic structure,magnetic,and optical properties of two-dimensional(2D)GaSe doped with rare earth elements X(X=Sc,Y,La,Ce,Eu)were calculated using the first-principles plane wave method based on den-sity funct... The electronic structure,magnetic,and optical properties of two-dimensional(2D)GaSe doped with rare earth elements X(X=Sc,Y,La,Ce,Eu)were calculated using the first-principles plane wave method based on den-sity functional theory.The results show that intrinsic 2D GaSe is a p-type nonmagnetic semiconductor with an indi-rect bandgap of 2.6611 eV.The spin-up and spin-down channels of Sc-,Y-,and La-doped 2D GaSe are symmetric,they are non-magnetic semiconductors.The magnetic moments of Ce-and Eu-doped 2D GaSe are 0.908μ_(B)and 7.163μ_(B),which are magnetic semiconductors.Impurity energy levels appear in both spin-up and spin-down chan-nels of Eu-doped 2D GaSe,which enhances the probability of electron transition.Compared with intrinsic 2D GaSe,the static dielectric constant of the doped 2D GaSe increases,and the polarization ability is strengthened.The ab-sorption spectrum of the doped 2D GaSe shifts in the low-energy direction,and the red-shift phenomenon occurs,which extends the absorption spectral range.The optical reflection coefficient of the doped 2D GaSe is improved in the low energy region,and the improvement of Eu-doped 2D GaSe is the most obvious. 展开更多
关键词 first principle two-dimensional GaSe electronic structure magnetic property optical property
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Principles of Shiology——Revealing the Basic Rules of Human Shiance 被引量:1
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作者 Liu Guangwei 《Journal of Northeast Agricultural University(English Edition)》 CAS 2024年第1期83-96,共14页
The objective principles of shiology are mainly reflected in three fields as food acquisition, eaters' health and shiance order. Most of the objective principles in the field of food acquisition have been revealed... The objective principles of shiology are mainly reflected in three fields as food acquisition, eaters' health and shiance order. Most of the objective principles in the field of food acquisition have been revealed by agronomy and foodstuff science. This research mainly focuses on 10 principles in the field of eaters' health and shiance order and in addition, there are also five lemmas that extend from the above principles. The 10 principles are the core theory of the shiology knowledge system, which play an important role in the objective principles revealed by human beings and constitute one of the basic principles of human civilization. Compared with the scientific principles of mathematics, physics, chemistry and economics, the principles of shiology have three characteristics as popularity, practicability and survivability. The principles of shiology in the field of eaters' health are all around us, and everyone can understand and master them. Using the principles of shiology can improve the healthy life span of 8 billion people. The principles of shiology in the field of shiance order is an important tool of social governance, which can reduce human social conflicts, reduce social involution, improve overall efficiency of social operation, and maintain the sustainable development of human beings. 展开更多
关键词 principle of shiology RULE shiance eater eating matter eatology
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Chatter Suppression with Ultrasonic Elliptical Vibration Based on Energy Principle 被引量:5
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作者 马春翔 E Shamoto T Moriwaki 《Defence Technology(防务技术)》 SCIE EI CAS 2005年第2期229-232,共4页
A new method is proposed to suppress chatter, in which the ultrasonic elliptical vibration is added on the cutting tool edge. It results in the fact that the rake face of tool is separated from the chip and the direct... A new method is proposed to suppress chatter, in which the ultrasonic elliptical vibration is added on the cutting tool edge. It results in the fact that the rake face of tool is separated from the chip and the direction of the frictional force between the rake face and the chip is reversed in each cycle of elliptical vibration cutting. The experimental investigations show that the chatter can be suppressed effectively by adding ultrasonic elliptical vibration on the cutting tool edge. In order to make clear the reason of chatter suppression, the mechanism of chatter suppression is analyzed theoretically from the viewpoint of energy. 展开更多
关键词 ULTRASONIC ELLIPTICAL VIBRATION chatter SUPPRESSION ENERGY principle
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Mathematic principle of active jamming against wideband LFM radar 被引量:13
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作者 Shixian Gong Xizhang Wei +1 位作者 Xiang Li Yongshun Ling 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2015年第1期50-60,共11页
The inherent mathematic principle of active jamming against the wideband linear frequency modulated(LFM) radar is investigated. According to different generation strategies, the active jamming methods are reclassifi... The inherent mathematic principle of active jamming against the wideband linear frequency modulated(LFM) radar is investigated. According to different generation strategies, the active jamming methods are reclassified into three groups, i.e.,non-coherent jamming(NCJ), convolution jamming(CJ) and multiplying jamming(MJ). Based on the classification, the mathematic principles of different active jamming groups are put forward, which describe the relationships between the modulated signals and the jamming results. The advantages and disadvantages of different groups are further analyzed, which provides a new perspective for the study of jamming/anti-jamming methods and a potential for engineers to integrate similar jamming methods into one jammer platform. The analyses and simulation results of some typical active jamming methods prove the validity of the proposed mathematics principle. 展开更多
关键词 linear frequency modulated(LFM) mathematic principle active jamming
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Process Principle of Information
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作者 张高锋 任君 《陕西师范大学学报(哲学社会科学版)》 CSSCI 北大核心 2006年第S1期332-333,共2页
This paper focuses on how to process the information in a discourse and studies the process principles of information.They are Deletion Principle,Generalization Principle,Construction Principle,Fuzzy Parsing Principle... This paper focuses on how to process the information in a discourse and studies the process principles of information.They are Deletion Principle,Generalization Principle,Construction Principle,Fuzzy Parsing Principle.They can be used in the reading comprehension. 展开更多
关键词 INFORMATION Process principles Discourse analysis
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Plastic variational principle based on the least work consumption principle 被引量:1
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作者 唐松花 罗迎社 +1 位作者 周筑宝 王智超 《Journal of Central South University》 SCIE EI CAS 2008年第S1期39-42,共4页
Plastic variational principles are foundation to solve the boundary-value problems of plastic mechanics with the variational method(or energy method) and finite element method.The most convenient way of establishing d... Plastic variational principles are foundation to solve the boundary-value problems of plastic mechanics with the variational method(or energy method) and finite element method.The most convenient way of establishing different kinds of variational principles is to set up the extreme principle related to the studied problem.Based on a general new extreme principle-the Least work consumption principle,the variational principles of the rigid-plastic and rigid-viscoplastic material were derived.In comparison with existing methods,the method in this paper is more clear and direct,and the physical meaning is clear-cut.This method can offer a new way for establishing other kinds of variational principles. 展开更多
关键词 RIGID-PLASTIC rigid-viscoplastic VARIATIONAL principle the least work CONSUMPTION principle
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Study for the Forming Principle of Logix Gear Tooth Profile and Its Mesh Performance 被引量:3
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作者 Lee Leckseng Linda Lee 《厦门大学学报(自然科学版)》 CAS CSCD 北大核心 2002年第S1期91-92,共2页
In recent years, a new type of gear named Logix gea r was developed. Actually, the tooth profile of this new type of gear is composed of lots of micro-segment involute curves, and on the profile, there exist lots of p... In recent years, a new type of gear named Logix gea r was developed. Actually, the tooth profile of this new type of gear is composed of lots of micro-segment involute curves, and on the profile, there exist lots of points, which their relative curvatures are equal to zero. This can result in the sliding coefficient smaller between two meshed Logix gears, and the mesh ch aracteristic becomes almost rolling transmission from sliding transmission accor dingly. So, this new type of gear has lots of advantages such as higher contact intensity, longer useful life and can easily realize power transfer of bigger tr ansmission ratio than standard involute gear. Study results showed that the cont act fatigue strength is 3 times larger, the bend fatigue strength is 2.5 times l arger, and the minimum tooth number can be decreased to 3, much smaller than tha t of standard involute gear. In this paper, following studies had been done: 1) The formation principle of Logix gear tooth profile was studied. The theoreti cal models describing the geometrical formations of this type of gear and its re lative Logix rack had been deduced. 2) While cutting a Logix gear, its tooth profile is decided by its normal tooth profile of Logix rack. Besides the basic parameters of standard involute gear, L ogix rack has its own specific parameters such as preliminary pressure angle, re lative pressure angle, and preliminary referential circle radius etc. So, the in fluence of connatural parameters of Logix rack on the tooth profile of Logix gea r had been farther studied. Reasonable selection for these parameters had been d iscussed. 3) Several kinds of transition curves for gear’s tooth profile had been introdu ced, its selection used by Logix gear had been described, and also its mathemati cal description model had been deduced. 4) The mesh theories of Logix gears had been developed. It had been proved that the transmission performance between Logix gears coincides with E-W theorem as that of ordinary standard involute gears. The formula calculating superposition coefficient was deduced according to its definition. Different from standard inv olute gears, the parameter of gear number has no effect on the superposition coe fficient of the Logix gears. Accordingly, bigger ratio transmission can be acqui red by means of decreasing the gear number, and its minimum gear number can be r eached to 3, much smaller than the minimum gear number of ordinary standard invo lute gear: 14~17. This is very important to realize the miniaturization of prod uction design. 5) The CAD special software was developed to design all kinds of Logix gears, an d a solid design example was offered. To sum up, by means of above study, the system info about Logix gear had been de veloped and enriched. This has most significant impact on its widely promotion a nd practical application, on the improvement of carrying capacity, miniaturizati on, and life of kinetic transmission products. 展开更多
关键词 Logix gear forming principle mesh performance big transmission ratio
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Gradient principle of horizontal stress inducing rock burst in coal mine 被引量:7
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作者 何江 窦林名 《Journal of Central South University》 SCIE EI CAS 2012年第10期2926-2932,共7页
Based on the stress distribution characteristics of rock burst multiple sites, the criterion of horizontal stress inducing layer dislocation rock burst was established. Accordingly, the influencing factors were analyz... Based on the stress distribution characteristics of rock burst multiple sites, the criterion of horizontal stress inducing layer dislocation rock burst was established. Accordingly, the influencing factors were analyzed. The analysis results indicate that the stress condition, edge of etastic zone depth, supporting strength, and the friction angle and cohesion among coal stratum, roof and floor are sensitive factors. By introducing double-couple model, the layer dislocation rock burst was explained and the energy radiation characteristics were analyzed. The SOS micro-seismic monitoring system was applied to observe the rock burst hazards about a mining face. The results show that P- and S-wave energy radiations produced by rock burst have directional characteristics. The energy radiation characteristics of the 22 rock bursts occurring on 79Z6 long-wall face are basically the same as theoretical results, that is, the ratio of S-wave energy of sensor 4 to 6 is about 1.5 and that of P-wave is smaller than 0.5. The consistency of the monitored characteristics of the energy radiation theoretically increases with the total energy increasing. 展开更多
关键词 horizontal stress rock burst gradient principle micro-seismic monitoring directional characteristic energy radiation
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Scaling parameters selection principle for the scaled unscented Kalman filter 被引量:1
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作者 NIE Yongfang ZHANG Tao 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2018年第3期601-610,共10页
The paper deals with the state estimation of the widely used scaled unscented Kalman filter(UKF). In particular, the stress is laid on the scaling parameters selection principle for the scaled UKF. Several problems ... The paper deals with the state estimation of the widely used scaled unscented Kalman filter(UKF). In particular, the stress is laid on the scaling parameters selection principle for the scaled UKF. Several problems caused by recommended constant scaling parameters are highlighted. On the basis of the analyses, an effective scaled UKF is proposed with self-adaptive scaling parameters,which is easy to understand and implement in engineering. Two typical strong nonlinear examples are given and their simulation results show the effectiveness of the proposed principle and algorithm. 展开更多
关键词 nonlinear filtering scaled unscented Kalman filter scaling parameter selection principle
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Suspension principle of deep-ocean nodule collector 被引量:1
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作者 郑皓 刘少军 胡琼 《Journal of Central South University》 SCIE EI CAS 2014年第3期920-925,共6页
To make sure that the nodule collector can walk on the soft sediments of seafloor effectively, suspension principle of deep-ocean nodule collector is proposed. The supporting and driving mechanisms are separated to av... To make sure that the nodule collector can walk on the soft sediments of seafloor effectively, suspension principle of deep-ocean nodule collector is proposed. The supporting and driving mechanisms are separated to avoid collector sinking. The supporting mechanism is a streamlined body with large and smooth supporting area. The grounding pressure is reduced to 0.5- 1 N/cm2 to make sure that the sinkage is limited. The impellers serve as the driving mechanism to supply enough driving power. The position between the supporting mechanism and the driving mechanism can be adjusted according to the operating condition to decrease the walking resistance and to increase driving efficiency. The test results indicate that the collector can walk on the surface of the soft sediments with the limited sinkage. The traction forces were up to 800 kg and the sinkage of the impeller was under the limitation. 展开更多
关键词 deep-ocean mining suspension principle NODULE COLLECTOR SINKING
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A modified method to calculate reliability index using maximum entropy principle 被引量:3
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作者 徐志军 郑俊杰 +1 位作者 边晓亚 刘勇 《Journal of Central South University》 SCIE EI CAS 2013年第4期1058-1063,共6页
Routine reliability index method, first order second moment (FOSM), may not ensure convergence of iteration when the performance function is strongly nonlinear. A modified method was proposed to calculate reliability ... Routine reliability index method, first order second moment (FOSM), may not ensure convergence of iteration when the performance function is strongly nonlinear. A modified method was proposed to calculate reliability index based on maximum entropy (MaxEnt) principle. To achieve this goal, the complicated iteration of first order second moment (FOSM) method was replaced by the calculation of entropy density function. Local convergence of Newton iteration method utilized to calculate entropy density function was proved, which ensured the convergence of iteration when calculating reliability index. To promote calculation efficiency, Newton down-hill algorithm was incorporated into calculating entropy density function and Monte Carlo simulations (MCS) were performed to assess the efficiency of the presented method. Two numerical examples were presented to verify the validation of the presented method. Moreover, the execution and advantages of the presented method were explained. From Example 1, after seven times iteration, the proposed method is capable of calculating the reliability index when the performance function is strongly nonlinear and at the same time the proposed method can preserve the calculation accuracy; From Example 2, the reliability indices calculated using the proposed method, FOSM and MCS are 3.823 9, 3.813 0 and 3.827 6, respectively, and the according iteration times are 5, 36 and 10 6 , which shows that the presented method can improve calculation accuracy without increasing computational cost for the performance function of which the reliability index can be calculated using first order second moment (FOSM) method. 展开更多
关键词 reliability index maximum entropy principle first order second moment Newton iteration Monte Carlo simulation
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Principled Pragmatism: Understanding the EU Position on Economic Relations with China
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作者 Men Jing 《国际问题研究》 CSSCI 北大核心 2018年第3期216-230,共15页
关键词 principled PRAGMATISM he EU POSITION on ECONOMIC RELATIONS with China
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OPTIMAL FEED STRATEGY FOR FED-BATCH GLYCEROL FERMENTATION DETERMINED BY MAXIMUM PRINCIPLE
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作者 Xie Dongming, Liu Dehua and Liu Tianzhong (State Key Lab of Biochemical Engineering, Institute of Chemical Metallurgy, Chinese Academy of Science, Beijing 100080 Department of Chemical Engineering, Tsinghua University Beijing 100084) 《化工学报》 EI CAS CSCD 北大核心 2000年第S1期236-239,共4页
Optimal glucose feed strategy for glycerol fed-batch fermentation was investigated by Pontryagin’s maximum principle to maximize the final glycerol yield. The problem was solved by a nonsingular control approach by s... Optimal glucose feed strategy for glycerol fed-batch fermentation was investigated by Pontryagin’s maximum principle to maximize the final glycerol yield. The problem was solved by a nonsingular control approach by selecting the culture volume as the control variable, then the general optimal feed profile was numerically determined. 展开更多
关键词 Optimal feed strategy GLYCEROL FERMENTATION Maximum principle
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Analysis of Mixing Principle and Optimization of Parameter on the Single-shaft Horizontal Total Mixed Ration Mixer
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作者 ZHANG Yu WANG Defu 《Journal of Northeast Agricultural University(English Edition)》 CAS 2008年第1期83-85,共3页
The main structure and working principle of the single-shaft horizontal total mixed ration mixer was discussed. For studying the mixing principle, the analysis of force and motion of the material on the paddle were ma... The main structure and working principle of the single-shaft horizontal total mixed ration mixer was discussed. For studying the mixing principle, the analysis of force and motion of the material on the paddle were made, and paddle angle and rotational speed of the rotor were determined by the experiment, the main mixing ways were explained. 展开更多
关键词 total mixed ration mixer single shaft HORIZONTAL mixing principle
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CHARACTERISTIC GRAIN SIZE: PART Ⅱ MEASURING PRINCIPLES
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作者 Cao Shunhua (Powder Metallurgy National Key Laboratory, Central South University of Technology, Changsha 410083, China)David C Lam(Department of Mechanical Engineering,The Hongkong University of Science & Technology Clear Water Bay,Kowloon,Hongkong) 《Journal of Central South University》 SCIE EI CAS 1997年第2期117-119,共3页
The principles for measuring characteristic grain sizes of materials, such as fully-dense single phase materials, porous materials and materials with isolated second phase particles, are developed on the basis of its ... The principles for measuring characteristic grain sizes of materials, such as fully-dense single phase materials, porous materials and materials with isolated second phase particles, are developed on the basis of its definition associated closely with the surface area per unit volume, Sv, of grain. The focus of the measuring principles of the characteristic grain size is put on determining Sv of grains. Unlike the measurement of average grain size commonly used, G, correcting factors such as grain shape and grain size distribution factors, will not be applied to the determination of the characteristic grain size, Gc, due to its unique geometric meaning and the measure precision of Sv being guaranteed by quantitative stereological technique and gas adsorption method. The measurement of Gc can be directly carried out on the polished and etched cross section of materials, similar to the measuremernt of the average grain size using the Heyn intercept method. 展开更多
关键词 CHARACTERISTIC GRAIN size MEASURING principle gas adsorption technique porous MATERIAL fullydense single phase materials MATERIAL with isolated second-phase particles
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First-principles Study of Electronic Structures,Elastic Properties and Thermodynamics of the Binary Intermetallics in Mg-Zn-Re-Zr Alloy 被引量:9
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作者 Gang CHEN Peng ZHANG 《Defence Technology(防务技术)》 SCIE EI CAS 2013年第3期131-139,共9页
The electronic structures,elastic properties and thermodynamics of MgZn_2,Mg_2Y and Mg_2 La have been determined from the first-principle calculations.The calculated heats of formation and cohesive energies show that ... The electronic structures,elastic properties and thermodynamics of MgZn_2,Mg_2Y and Mg_2 La have been determined from the first-principle calculations.The calculated heats of formation and cohesive energies show that Mg_2La has the strongest alloying ability and structural stability.The structural stability mechanism is also explained through the electronic structures of these phases.The ionicity and metallicity of the phases are estimated.The elastic constants are calculated;the bulk moduli,shear moduli.Young's moduli,Poisson's ratio value and elastic anisotropy are derived:and the brittleness.plasticity and anisotropy of these phases are discussed.Gibbs free energy,Debye temperature and heat capacity are calculated and discussed. 展开更多
关键词 电子结构 热力学 合金化 第一性原理 弹性性能 第一原理计算 化合物 二进制
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First-principles investigation on structural and electrochemical properties of NaCoO_2 for rechargeable Na-ion batteries
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作者 粟劲苍 周广 +2 位作者 裴勇 杨振华 王先友 《Journal of Central South University》 SCIE EI CAS CSCD 2015年第6期2036-2042,共7页
NaxCoO2 is a commonly used cathode material for sodium ion batteries because of its easy synthesis, high reversible capacity and good cyclability. The structural and electrochemical properties of NaxCoO2 during sodium... NaxCoO2 is a commonly used cathode material for sodium ion batteries because of its easy synthesis, high reversible capacity and good cyclability. The structural and electrochemical properties of NaxCoO2 during sodium ion insertion/extraction process are studied based on first principles calculations. The calculation results of crystal structure parameters and average intercalation voltage are in good agreement with experiment data. Through calculation of the geometric structure and charge transfer in charging and discharging processes of NaxCoO2, it is found that the oxygen atom surrounding Co of the CoO6 octahedral screens the coulomb potential produced by sodium vacancy in NaxCoO2, and the charge is removed from the entire Co-O layer instead of the Co atom adjacent to sodium vacancy when sodium ions are extracted from the Na CoO2 lattice. Thus, during the insertion/extraction of sodium ion from Na CoO2, the CoO6 octahedral structure undergoes small lattice distortion, which makes the local structure quite stable and is beneficial to the cycling stability of the material for the application of sodium ion batteries. 展开更多
关键词 sodium ion batteries first principles calculation cathode material electronic structure
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The Maximum Principle for Fully Coupled Forward-backward Stochastic Control System 被引量:15
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作者 SHI Jing-Tao WU Zhen 《自动化学报》 EI CSCD 北大核心 2006年第2期161-169,共9页
The maximum principle for fully coupled forward-backward stochastic control system in the global form is proved, under the assumption that the forward diffusion coefficient does not contain the control variable, but t... The maximum principle for fully coupled forward-backward stochastic control system in the global form is proved, under the assumption that the forward diffusion coefficient does not contain the control variable, but the control domain is not necessarily convex. 展开更多
关键词 最大原理 随机控制系统 毛刺变异 扩散系数
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First principles calculation on electronic structure,chemical bonding,elastic and optical properties of novel tungsten triboride
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作者 王一夫 夏庆林 余燕 《Journal of Central South University》 SCIE EI CAS 2014年第2期500-505,共6页
The electronic structures,chemical bonding,elastic and optical properties of the novel hP24 phase WB3 were investigated by using density-functional theory(DFT) within generalized gradient approximation(GGA).The calcul... The electronic structures,chemical bonding,elastic and optical properties of the novel hP24 phase WB3 were investigated by using density-functional theory(DFT) within generalized gradient approximation(GGA).The calculated energy band structures show that the hP24 phase WB3 is metallic material.The density of state(DOS) and the partial density of state(PDOS) calculations show that the DOS near the Fermi level is mainly from the W 5d and B 2p states.Population analysis suggests that the chemical bonding in hP24-WB3 has predominantly covalent characteristics with mixed covalent-ionic characteristics.Basic physical properties,such as lattice constant,bulk modulus,shear modulus and elastic constants Cij were calculated.The elastic modulus E and Poisson ratio υ were also predicted.The results show that hP24-WB3 phase is mechanically stable and behaves in a brittle manner.Detailed analysis of all optical functions reveals that WB3 is a better dielectric material,and reflectivity spectra show that WB3 can be promised as good coating material in the energy regions of 8.5-11.4 eV and 14.5-15.5 eV. 展开更多
关键词 hP24-WB3 first principles calculation electronic structure chemical bonding elastic properties optical properties
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