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Giant thermal rectification beyond structural asymmetry via current-induced nonreciprocity effects
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作者 Jiayao Zhang Yu Hao +2 位作者 Bowen Xiong Shanhe Su Zhimin Yang 《Chinese Physics B》 2025年第9期297-301,共5页
Pursuing significant thermal rectification effect with minimal temperature differences is critical for thermal rectifiers.While asymmetric structures enable spectral matching,they inherently limit thermal rectificatio... Pursuing significant thermal rectification effect with minimal temperature differences is critical for thermal rectifiers.While asymmetric structures enable spectral matching,they inherently limit thermal rectification performance.To address this issue,we developed a thermal rectification structure comprising a current-biased graphene-coated silicon carbide(SiC)substrate paired with another graphene-coated SiC substrate separated by a nanoscale vacuum gap.A current-biased graphene sheet generates nonreciprocal effect that actively modulates radiative energy transfer.Our theoretical framework demonstrates that the current-biased graphene achieves a high thermal diode efficiency even under a modest temperature difference.Remarkably,the thermal diode efficiency exceeds 0.8 at a temperature difference of just 100 K(between 300 K and 400 K).These findings highlight the synergistic enhancement from graphene coatings and current biasing,providing a viable strategy for nanoscale thermal management applications. 展开更多
关键词 near-field radiative heat transfer thermal rectification current-biased graphene NONRECIPROCITY
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Flux trapping behavior in a joint-less closed-loop 2G-HTS coil under multi-pulse magnetic field excitation
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作者 Hao Dong Daxing Huang +2 位作者 Hao Yu Hongwei Gu Fazhu Ding 《Chinese Physics B》 2025年第7期274-279,共6页
Second-generation high-temperature superconducting(2G-HTS)magnets operating in persistent current mode(PCM)hold great promise for applications such as magnetic resonance imaging.The development of joint-less closed-lo... Second-generation high-temperature superconducting(2G-HTS)magnets operating in persistent current mode(PCM)hold great promise for applications such as magnetic resonance imaging.The development of joint-less closed-loop magnets has effectively tackled the challenges of fabricating joints for REBCO tape.However,certain closed-loop magnets cannot utilize conventional persistent current switches(PCS)and instead require multi-pulse magnetization techniques.This study explores the effects of multi-pulse magnetic field excitation on the flux trapping behavior of a four-pancake coil(FPC).A detailed comparison of the effects of different pulse types and periods on the FPC reveals that the background magnetic field exceeds the critical magnetic field of the coil,thereby creating resistance in the superconducting loop.The critical magnetic field of the FPC is determined experimentally,and a reasonable speculation on the multi-pulse field excitation mechanism is presented. 展开更多
关键词 joint-less coil second-generation high-temperature superconducting(2G-HTS)coil multi-pulse EXCITATION
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Nanofluidic ion rectification sensor for enantioselective recognition and detection
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作者 Chong Wang Hao Xie +4 位作者 Rulan Xia Xuewei Liao Jin Wang Huajun Yang Chen Wang 《Chinese Chemical Letters》 2025年第8期601-606,共6页
Enantiomer identification is of paramount industrial value and physiological significance.Construction of sensitive chiral sensors with high enantiomeric discrimination ability is highly desirable.In this work,a chira... Enantiomer identification is of paramount industrial value and physiological significance.Construction of sensitive chiral sensors with high enantiomeric discrimination ability is highly desirable.In this work,a chiral covalent organic framework/anodic aluminum oxide(c-COF/AAO)membrane was prepared for electrochemical enantioselective recognition and sensing.Benefiting from the remarkable asymmetry,the asprepared nanofluidic c-COF/AAO presents a distinct ion current rectification(ICR)characteristic,enabling sensitive bioanalysis.In addition,owing to the large surface area,high chemical stability and perfect ion selectivity of chiral COF,the prepared c-COF/AAO membrane presents exceptionally selective mass transport and thereby enables excellent chiral discrimination for S-/R-Naproxen(S-/R-Npx)enantiomers.It is especially noteworthy that the detection limit is achieved as low as 3.88 pmol/L.These results raise the possibility for a facile,stable and low-cost method to carry out sensitive enantioselective recognition and detection. 展开更多
关键词 Nanofluidic sensor Chiral recognition lon current rectification(ICR) Covalentorganic framework Electrochemical detection
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Negative Thermal Transport and Giant Thermal Rectification Unveiled in a Periodic-Oscillating Temperature System
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作者 Lei Zhao Yu Yang +1 位作者 Yan Zhou Lifa Zhang 《Chinese Physics Letters》 2025年第8期143-153,共11页
Thermal diodes,based on the thermal rectification effect,have demonstrated great promise for advanced thermal management.In previous studies,almost all thermal diodes were discussed under the condition of steady state... Thermal diodes,based on the thermal rectification effect,have demonstrated great promise for advanced thermal management.In previous studies,almost all thermal diodes were discussed under the condition of steady states,while the heat source of a practical thermal system often operates under dynamically fluctuating temperatures.Therefore,in this work,we employ finite element simulation to investigate transient thermal rectification behaviors in a well-built heterojunction which exhibits intrinsic thermal rectification effect under steady state.Unidirectional energy transport in the heterojunction system,decoupled from the steady-state temperature bias,is observed under a time-dependent fluctuating heat source.This phenomenon enables straightforward realization of both giant thermal rectification and negative thermal transport.Furthermore,a series of novel thermal regulation strategies are unveiled by adjusting the average temperature,frequency,and phase of the heat source.Our work not only deepens fundamental understanding of thermal regulation in time-dependent oscillating temperature systems but also uncovers many unexplored energy-saving thermal management strategies. 展开更多
关键词 thermal diodes thermal rectification effecthave thermal system intrinsic thermal recti finite element simulation advanced thermal managementin heat source thermal diodesbased
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Controllable thermal rectification design for buildings based on phase change composites 被引量:1
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作者 Hengbin Ding Xiaoshi Li +2 位作者 Tianhang Li Xiaoyong Zhao He Tian 《Journal of Semiconductors》 EI CAS CSCD 2024年第2期40-45,共6页
Phase-change material(PCM)is widely used in thermal management due to their unique thermal behavior.However,related research in thermal rectifier is mainly focused on exploring the principles at the fundamental device... Phase-change material(PCM)is widely used in thermal management due to their unique thermal behavior.However,related research in thermal rectifier is mainly focused on exploring the principles at the fundamental device level,which results in a gap to real applications.Here,we propose a controllable thermal rectification design towards building applications through the direct adhesion of composite thermal rectification material(TRM)based on PCM and reduced graphene oxide(rGO)aerogel to ordinary concrete walls(CWs).The design is evaluated in detail by combining experiments and finite element analysis.It is found that,TRM can regulate the temperature difference on both sides of the TRM/CWs system by thermal rectification.The difference in two directions reaches to 13.8 K at the heat flow of 80 W/m^(2).In addition,the larger the change of thermal conductivity before and after phase change of TRM is,the more effective it is for regulating temperature difference in two directions.The stated technology has a wide range of applications for the thermal energy control in buildings with specific temperature requirements. 展开更多
关键词 phase change composites controllable thermal rectification building applications
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Generic functional modelling of multi-pulse auto-transformer rectifier units for more-electric aircraft applications 被引量:1
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作者 Tao YANG Serhiy BOZHKO +2 位作者 Patrick WHEELER Shaoping WANG Shuai WU 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2018年第5期883-891,共9页
The Auto-Transformer Rectifier Unit(ATRU) is one preferred solution for high-power AC/DC power conversion in aircraft. This is mainly due to its simple structure, high reliability and reduced k VA ratings. Indeed, t... The Auto-Transformer Rectifier Unit(ATRU) is one preferred solution for high-power AC/DC power conversion in aircraft. This is mainly due to its simple structure, high reliability and reduced k VA ratings. Indeed, the ATRU has become a preferred AC/DC solution to supply power to the electric environment control system on-board future aircraft. In this paper, a general modelling method for ATRUs is introduced. The developed model is based on the fact that the DC voltage and current are strongly related to the voltage and current vectors at the AC terminals of ATRUs. In this paper, we carry on our research in modelling symmetric 18-pulse ATRUs and develop a generic modelling technique. The developed generic model can study not only symmetric but also asymmetric ATRUs. An 18-pulse asymmetric ATRU is used to demonstrate the accuracy and efficiency of the developed model by comparing with corresponding detailed switching SABER models provided by our industrial partner. The functional models also allow accelerated and accurate simulations and thus enable whole-scale more-electric aircraft electrical power system studies in the future. 展开更多
关键词 Asymmetric transformer Functional modelling More-Electric Aircraft multi-pulse rectifier Transformer rectifier unit
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DRRN: Differential rectification & refinement network for ischemic infarct segmentation
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作者 Wenxue Zhou Wenming Yang Qingmin Liao 《CAAI Transactions on Intelligence Technology》 2024年第6期1534-1547,共14页
Accurate segmentation of infarct tissue in ischemic stroke is essential to determine the extent of injury and assess the risk and choose optimal treatment for this life-threatening disease.With the prior knowledge tha... Accurate segmentation of infarct tissue in ischemic stroke is essential to determine the extent of injury and assess the risk and choose optimal treatment for this life-threatening disease.With the prior knowledge that asymmetric analysis of anatomical structures can provide discriminative information,plenty of symmetry-based approaches have emerged to detect abnormalities in brain images.However,the inevitable non-pathological noise has not been fully alleviated and weakened,leading to unsatisfactory results.A novel differential rectification and refinement network(DRRN)for the automatic segmentation of ischemic strokes is proposed.Specifically,a differential feature perception encoder(DFPE)is developed to fully exploit and propagate the bilateral quasi-symmetry of healthy brains.In DFPE,an erasure-rectification(ER)module is devised to rectify pseudo-lesion features caused by non-pathological noise through utilising discriminant features within the symmetric neighbourhood of the original image.And a differentialattention(DA)mechanism is also integrated to fully perceive the differences in crossaxial features and estimate the similarity of long-range spatial context information.In addition,a crisscross differential feature reinforce module embedded with multiple boundary enhancement attention modules is designed to effectively integrate multi-scale features and refine textual details and margins of the infarct area.Experimental results on the public ATLAS and Kaggle dataset demonstrate the effectiveness of DRRN over state-of-the-arts. 展开更多
关键词 differential attention differential rectification ischemic infarct segmentation non-pathological noise reduction
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Effect of flame rectification on corrosion property of Al-Zn-Mg alloy 被引量:1
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作者 李帅 郭丹 董红刚 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2017年第2期250-257,共8页
The corrosion resistance of Al?Zn?Mg alloy subjected to different times in flame rectification was investigated based on the exfoliation corrosion test. The results indicate that the flame rectification deteriorate... The corrosion resistance of Al?Zn?Mg alloy subjected to different times in flame rectification was investigated based on the exfoliation corrosion test. The results indicate that the flame rectification deteriorates the exfoliation corrosion resistance of Al?Zn?Mg alloy. The corrosion resistance of Al-Zn-Mg alloy is ranked in the following order: base metal〉two times〉three times〉one time of flame rectification. The exfoliation corrosion behavior was discussed based on the transformation of precipitates at grain boundaries and matrix. With increasing the number of times in flame rectification, the precipitate-free zones disappeared and the precipitates experienced dissolution and re-precipitation. The sample was seriously corroded after one time of flame rectification, because the precipitates at grain boundaries are more continuous than those in other samples. 展开更多
关键词 Al-Zn-Mg alloy flame rectification exfoliation corrosion re-precipitation
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Polaron effect on the optical rectification in spherical quantum dots with electric field 被引量:6
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作者 冯振宇 闫祖威 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第10期446-451,共6页
The polaron effect on the optical rectification in spherical quantum dots with a shallow hydrogenic impurity in the presence of electric field is theoretically investigated by taking into account the interactions of t... The polaron effect on the optical rectification in spherical quantum dots with a shallow hydrogenic impurity in the presence of electric field is theoretically investigated by taking into account the interactions of the electrons with both confined and surface optical phonons. Besides, the interaction between impurity and phonons is also considered. Numerical calculations are presented for typical Zn1-xCdxSe/ZnSe material. It is found that the polaronic effect or electric field leads to the redshifted resonant peaks of the optical rectification coefficients. It is also found that the peak values of the optical rectification coefficients with the polaronic effect are larger than without the polaronic effect, especially for smaller Cd concentrations or stronger electric field. 展开更多
关键词 polaron effect optical rectification spherical quantum dot
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Relationship between rectification moment and angle of shield based on numerical simulation 被引量:12
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作者 孙伟 岳明 魏建 《Journal of Central South University》 SCIE EI CAS 2012年第2期517-521,共5页
The finite element method is used to simulate the rectification process of shield machine, to study the relationship between rectification moment and angle and to explore the influence laws of different soil parameter... The finite element method is used to simulate the rectification process of shield machine, to study the relationship between rectification moment and angle and to explore the influence laws of different soil parameters and buried depth on rectification moment. It is hoped that the reference value of rectification moment can be offered to operator, and theoretical foundation can be laid for future automatic rectification technology. The results show that the rectification moment and angle generally exhibit good linear behavior in clay layers with different soil parameters or buried depths, and then the concept of rectification coefficient, that is, the ratio of rectification angle to rectification moment, is proposed; different soil parameters and buried depths have different influences on rectification coefficient, in which elastic modulus has great influence but others have little influences; the simulations of rectification process are preformed in clay layers with different elastic modulus, and fitting results show that elastic modulus and rectification coefficient present the quadratic function relation. 展开更多
关键词 finite element method rectification moment rectification angle elastic modulus
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Optical Rectification Induced by Al-Si Schottky Barrier Potential and Mechanism of Two-Photon Response
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作者 刘云龙 贾刚 +3 位作者 周志雄 陈占国 张晓婷 李海兰 《Journal of Semiconductors》 EI CAS CSCD 北大核心 2002年第8期805-808,共4页
By observing two-photon response and anisotropy of the light-induced voltage in Al-Si Schottky barrier potential,it is certified from the experimental and theoretical analysis that the built-in electric field generate... By observing two-photon response and anisotropy of the light-induced voltage in Al-Si Schottky barrier potential,it is certified from the experimental and theoretical analysis that the built-in electric field generated by the Schottky barrier potential will induce the phenomena of optical rectification in Si photodiode.Thus,it is deduced that there must be double-frequency absorption caused by phase-mismatch in the mechanism of two-photon response of Si photodiode.If the intensity of the built-in electric field is strong enough,the double-frequency absorption will be the main factor of the two-photon response,which is different from the conventional opinion that the two-photon response is just the two-photon absorption. 展开更多
关键词 optical rectification double-frequency two-photon absorption
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Impact of GCP distribution on the rectification accuracy of Landsat TM imagery in a coastal zone 被引量:2
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作者 ZHANG Ying ZHANG Dong +1 位作者 GU Yan TAO Fei 《Acta Oceanologica Sinica》 SCIE CAS CSCD 2006年第4期14-22,共9页
The purpose is to explore the effect of the spatial distribution of ground control points (GCPs) on the accuracy of imagery rectification. Both area-distributed and linearly distributed GCPs were used to rectify a L... The purpose is to explore the effect of the spatial distribution of ground control points (GCPs) on the accuracy of imagery rectification. Both area-distributed and linearly distributed GCPs were used to rectify a Landsat TM image of a coastal zone. Rectification accuracy was checked against 99 independent points over the intertidal mudflats with no ground control. Results indicate that the root-mean-square error of residuals over these areas is several times larger than its GCPs-measured counterpart. If the GCPs are spatially dispersed over an area, residuals fluctuate but increase steadily with distance to the source of control in easting (R^2= 0. 827). in northing they fluctuate around 150 m until 15 km, beyond which they rise steadily at a small range of fluctuation. These residuals are less predictable from distance to the source of control than in easting (R^2= 0.517 ). If the GCPs are distributed along a control line, residuals rise with distance to it linearly and predictably (R^2 = 0. 877) in the direction perpendicular to it. In a direction parallel to it, the distance has little impact on rectification residuals. 展开更多
关键词 image rectification ground control point rectification residuals coastal zone
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NEW VERSATILE CAMERA CALIBRATION TECHNIQUE BASED ON LINEAR RECTIFICATION 被引量:2
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作者 PanFeng WangXuanyin 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2004年第4期507-510,共4页
A new versatile camera calibration technique for machine vision usingoff-the-shelf cameras is described. Aimed at the large distortion of the off-the-shelf cameras, anew camera distortion rectification technology base... A new versatile camera calibration technique for machine vision usingoff-the-shelf cameras is described. Aimed at the large distortion of the off-the-shelf cameras, anew camera distortion rectification technology based on line-rectification is proposed. Afull-camera-distortion model is introduced and a linear algorithm is provided to obtain thesolution. After the camera rectification intrinsic and extrinsic parameters are obtained based onthe relationship between the homograph and absolute conic. This technology needs neither ahigh-accuracy three-dimensional calibration block, nor a complicated translation or rotationplatform. Both simulations and experiments show that this method is effective and robust. 展开更多
关键词 Camera calibration Camera rectification Linear rectification
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Sliding mode robust controller for automatic rectification of shield machine 被引量:8
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作者 岳明 孙伟 魏建 《Journal of Central South University》 SCIE EI CAS 2011年第2期536-541,共6页
According to the actual engineering problem that the precise load model of shield machine is difficult to achieve,a design method of sliding mode robust controller oriented to the automatic rectification of shield mac... According to the actual engineering problem that the precise load model of shield machine is difficult to achieve,a design method of sliding mode robust controller oriented to the automatic rectification of shield machine was proposed. Firstly,the nominal load model of shield machine and the ranges of model parameters were obtained by the soil mechanics parameters of certain geological conditions and the messages of the self-learning of shield machine by tunneling for previous segments. Based on this rectification mechanism model with known ranges of parameters,a sliding mode robust controller was proposed. Finally,the simulation analysis was developed to verify the effectiveness of the proposed controller. The simulation results show that the sliding mode robust controller can be implemented in the attitude rectification process of the shield machine and it has stronger robustness to overcome the soil disturbance. 展开更多
关键词 shield machine rectification sliding mode ROBUST upper bound
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THERMAL SHOCK OF SEMI-INFINITE BODY WITH MULTI-PULSED INTENSE LASER RADIATION 被引量:7
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作者 Haiming Huang 1 Fang Su Yue Sun(Institute of Engineering Mechanics,Beijing Jiaotong University,Beijing 100044,China) 《Acta Mechanica Solida Sinica》 SCIE EI 2010年第2期175-180,共6页
In order to investigate the thermal shock and the heat conduction property of a target under multi-pulsed laser radiation, analytic expressions of both temperature and thermal stress fields in the target are deduced o... In order to investigate the thermal shock and the heat conduction property of a target under multi-pulsed laser radiation, analytic expressions of both temperature and thermal stress fields in the target are deduced on the basis of the non-Fourier conduction law and the thermo-elastic theory. Taking a stainless steel target as an example, we can solve the analytic expressions under appropriate boundary conditions by using the finite difference method and MATLAB software, and then reveal the evolution law of both surplus temperaturt, and thermal stress in the target. The results indicate that the temperature curves in the target irradiated by a multi-pulsed laser take on a delayed character in different sections away from the boundary, which is only affected by its relaxation time. The front of the stress wave is very steep in the non-Fourier numerical solutions, which presents an obvious thermal shock, so it is necessary to consider the non-Fourier effect of semi-infinite body under the high energy laser radiation. 展开更多
关键词 multi-pulsed laser non-Fourier effect thermal shock
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The First Principle Study on the Rectification of Molecular Junctions Based on the Alkyl-chain-modified Phenyl Benzothiophene Derivative 被引量:2
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作者 CHEN Zhi-Peng ZHANG Ya-Mei +3 位作者 GUO Zhen-Gang LIN Li-Xiang YANG E LING Qi-Da 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第7期1037-1044,共8页
Using density functional theory(DFT) combined with nonequilibrium Green's function investigates the electron-transport properties of several molecular junctions based on the PBTDT-CH=NH molecule, which is modified... Using density functional theory(DFT) combined with nonequilibrium Green's function investigates the electron-transport properties of several molecular junctions based on the PBTDT-CH=NH molecule, which is modified by one to four alkyl groups forming PBTDT-(CH2)nCH=NH. The electronic structures of the isolated molecules(thiol-ended PBTDT-(CH2)nCH=N) have been investigated before the electron-transport calculations are performed. The asymmetric current-voltage characteristics have been obtained for the molecular junctions. Rectifying performance of Au/S-PBTDT-CH=N-S/Au molecular junction can be regulated by introducing alkyl chain. The N3 molecular junction exhibits the best rectifying effect. Its maximum rectifying ratio is 878, which is 80 times more than that of the molecular junction based on the original N molecular junction. The current-voltage(I-V) curves of all the sandwich systems in this work are illustrated by transmission spectra and molecular projection density analysis. 展开更多
关键词 the first principle phenyl benzothiophene alkyl chain rectification
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Rectification of magnetic force tracker using neural network inaugmented reality system 被引量:2
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作者 丰艳 陈一民 《Journal of Shanghai University(English Edition)》 CAS 2006年第5期431-435,共5页
Nonlinear errors always exist in data obtained from tracker in augmented reality (AR), which badly influence the effect of AR. This paper proposes to rectify the errors using BP neural network. As BP neural network ... Nonlinear errors always exist in data obtained from tracker in augmented reality (AR), which badly influence the effect of AR. This paper proposes to rectify the errors using BP neural network. As BP neural network is prone to getting into local extrema and convergence is slow, genetic algorithm is employed to optimize the initial weights and threshold of neural network. This paper discusses how to set the crucial parameters in the algorithm. Experimental results show that the method ensures that the neural network achieves global convergence quickly and correctly. Tracking precision of AR system is improved after the tracker is rectified, and the third dimension of AR system is enhanced. 展开更多
关键词 BP neural network genetic algorithm augmented reality(AR) magnetic force tracker rectification.
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Effect of proportion on rectification in organic co-oligomer spin rectifiers 被引量:1
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作者 胡贵超 王辉 任俊峰 《Chinese Physics B》 SCIE EI CAS CSCD 2011年第7期410-415,共6页
The rectification behaviours in organic magnetic/nonmagnetic co-oligomer spin rectifiers are investigated theoretically. It is found that both the charge current and the spin current through the device are rectified a... The rectification behaviours in organic magnetic/nonmagnetic co-oligomer spin rectifiers are investigated theoretically. It is found that both the charge current and the spin current through the device are rectified at the same time. By adjusting the proportion between the magnetic and nonmagnetic components, the threshold voltage and the rectification ratio of the rectifier are modulated. A large rectification ratio is obtained when the two components are equal in length. The intrinsic mechanism is analysed in terms of the asymmetric localization of molecular orbitals under biases. The effect of molecular length on the rectification is also discussed. These results will be helpful in the future design of organic spin diodes. 展开更多
关键词 organic spintronics rectification co-oligomer PROPORTION
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Rectification and electroluminescence of nanostructured GaN/Si heterojunction based on silicon nanoporous pillar array 被引量:1
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作者 王小波 李勇 +1 位作者 闫玲玲 李新建 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第10期432-437,共6页
A GaN/Si nanoheterojunction is prepared through growing Ga N nanocrystallites(nc-GaN) on a silicon nanoporous pillar array(Si-NPA) by a chemical vapor deposition(CVD) technique at a relatively low temperature. T... A GaN/Si nanoheterojunction is prepared through growing Ga N nanocrystallites(nc-GaN) on a silicon nanoporous pillar array(Si-NPA) by a chemical vapor deposition(CVD) technique at a relatively low temperature. The average size of nc-Ga N is determined to be ~10 nm. The spectral measurements disclose that the photoluminescence(PL) from GaN/SiNPA is composed of an ultraviolet(UV) band and a broad band spanned from UV to red region, with the feature that the latter band is similar to that of electroluminescence(EL). The electron transition from the energy levels of conduction band and, or, shallow donors to that of deep acceptors of Ga N is indicated to be responsible for both the broad-band PL and the EL luminescence. A study of the I-V characteristic shows that at a low forward bias, the current across the heterojunction is contact-limited while at a high forward bias it is bulk-limited, which follows the thermionic emission model and space-charge-limited current(SCLC) model, respectively. The bandgap offset analysis indicates that the carrier transport is dominated by electron injection from n-GaN into the p-Si-NPA, and the EL starts to appear only when holes begin to be injected from Si-NPA into GaN with biases higher than a threshold voltage. 展开更多
关键词 GaN/Si-NPA HETEROJUNCTION rectification electroluminescence (EL)
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First Principle Study on the Rectification of Molecular Junctions Based on the Thiol-ended Oligosilane 被引量:1
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作者 ZHANG Rong-Fang YANG E +2 位作者 LI Yi LIN Li-Xiang LING Qi-Dana 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第6期813-821,共9页
The electron transport properties of various molecular junctions based on the thiol-ended oligosilane are investigated through density functional theory combined with non-equilibrium Green's function formalism. Our c... The electron transport properties of various molecular junctions based on the thiol-ended oligosilane are investigated through density functional theory combined with non-equilibrium Green's function formalism. Our calculations show that oligosilanes doped by the phenyl and -C10H6 groups demonstrate better rectifying effect and their rectification ratios are up to 15.41 and 65.13 for their molecular junctions. The current-voltage (I-V) curves of all the Au/ modified oligosilane/Au systems in this work are illustrated by frontier molecular orbitals, transmission spectra and density of states under zero bias. And their rectifying behaviors are analyzed through transmission spectra. 展开更多
关键词 first principle thiol-ended oligosilane rectification
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