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Geant4 simulation of fast-electron bremsstrahlung imaging at the HL-3 tokamak
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作者 Shi-Kui Cheng Yi-Po Zhang +4 位作者 Yue-Jiang Shi Jie Zhang Shuai Guan Hong-Bing Xu Qiu-Lei Yang 《Nuclear Science and Techniques》 SCIE EI CAS CSCD 2024年第9期213-229,共17页
To further research on high-parameter plasma,we plan to develop a two-dimensional hard X-ray(HXR)imaging system at the HL-3 tokamak to measure HXRs with energies ranging from 20 to 300 keV.The application of an array-... To further research on high-parameter plasma,we plan to develop a two-dimensional hard X-ray(HXR)imaging system at the HL-3 tokamak to measure HXRs with energies ranging from 20 to 300 keV.The application of an array-structured detector ensures that this system can measure HXR-radiation spectra from the entire plasma cross section.Therefore,it is suitable for the study of fast-electron physics,such as radio-frequency wave current drives,fast electrons driving instabilities,and plasma disruptions in fusion research.In this study,we develop a simulation for calculating fast-electron bremsstrahlung in the HL-3 tokamak based on the Monte Carlo simulation code Geant4,in which the plasma geometry and forward scattering of fast-electron bremsstrahlung are considered.The preliminary calculation results indicate that the HXR energy deposi-tion on the detector is symmetrically distributed,even though the plasma distribution is asymmetric owing to the toroidal effect.These simulation results are helpful in constructing the relationship between the energy deposition on the detector and parameter distribution on the plasma cross section during HL-3 experiments.This is beneficial for the reconstruction of the fast-electron-distribution function and for optimizing the design of the HXR-imaging system. 展开更多
关键词 GEANT4 simulation HL-3 TOKAMAK Fast-electron bremsstrahlung Hard X-ray imaging
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Optical properties of La_(2)O_(3) and HfO_(2) for radiative cooling via multiscale simulations
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作者 Lihao Wang Wanglin Yang +5 位作者 Zhongyang Wang Hongchao Li Hao Gong Jingyi Pan Tongxiang Fan Xiao Zhou 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第12期430-441,共12页
Radiative cooling materials have gained prominence as a zero-energy solution for mitigating global warming.However,a comprehensive understanding of the atomic-scale optical properties and macroscopic optical performan... Radiative cooling materials have gained prominence as a zero-energy solution for mitigating global warming.However,a comprehensive understanding of the atomic-scale optical properties and macroscopic optical performance of radiative cooling materials remains elusive,limiting insight into the underlying physics of their optical response and cooling efficacy.La_(2)O_(3)and HfO_(2),which represent rare earth and third/fourth subgroup inorganic oxides,respectively,show promise for radiative cooling applications.In this study,we used multiscale simulations to investigate the optical properties of La_(2)O_(3)and HfO_(2)across a broad spectrum.First-principles calculations revealed their dielectric functions and intrinsic refractive indices,and the results indicated that the slightly smaller bandgap of La_(2)O_(3)compared to HfO_(2)induces a higher refractive index in the solar band.Additionally,three-phonon scattering was found to provide more accurate infrared optical properties than two-phonon scattering,which enhanced the emissivity in the sky window.Monte Carlo simulations were also used to determine the macroscopic optical properties of La_(2)O_(3)and HfO_(2)coatings.Based on the simulated results,we identified that the particle size and particle volume fraction play a dominant role in the optical properties.Our findings underscore the potential of La_(2)O_(3)and HfO_(2)nanocomposites for environment-friendly cooling and offer a new approach for high-throughput screening of optical materials through multiscale simulations. 展开更多
关键词 radiative cooling optical properties of La_(2)O_(3) and HfO_(2) first-principles calculations Monte Carlo simulations
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3-D Numerical Simulation on the Chip Machining Process of a Metal Block 被引量:2
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作者 Yan Yixia Yin Yihui Li Weifen 《上海交通大学学报》 EI CAS CSCD 北大核心 2004年第z2期108-113,共6页
In this paper, the cutting process of a metal block is numerically simulated by the dynamic explicit FE code ABAQUS. Taking thermo-mechanical coupling effect into consideration, the simulation presents the variation o... In this paper, the cutting process of a metal block is numerically simulated by the dynamic explicit FE code ABAQUS. Taking thermo-mechanical coupling effect into consideration, the simulation presents the variation of temperature, stress and strain distribution in the workpiece and chip. The effective plastic strain failure criterion is applied to modeling the chip separation and plastic formation. And the phenomenon of the contact and friction between the workpiece and the cutting tool are described in the paper. 展开更多
关键词 CUTTING 3-d FEM THERMO-MECHANICAL coupling
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Study of 3-D Numerical Simulation for Gas Transfer in the Goaf of the Coal Mining 被引量:12
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作者 WU Zheng-yan JIANG Shu-guang HE Xin-jian WANG Lan-yun LIN Bai-quan 《Journal of China University of Mining and Technology》 EI 2007年第2期152-157,共6页
In order to simulate field distribution rules,mathematical models for 3-D air flows and gas transfer in the goaf of the coal mining are established,based on theories of permeability and dynamic dispersion through poro... In order to simulate field distribution rules,mathematical models for 3-D air flows and gas transfer in the goaf of the coal mining are established,based on theories of permeability and dynamic dispersion through porous media. A gas dispersion equation in a 3-D field is calculated by use of numerical method on a weighted upstream multi-element balance. Based on data of an example with a U type ventilation mode,surface charts of air pressure distribution and gas concentration are drawn by Graphtool software. Finally,a comparison between actually measured results in the model test and the numerical simulation results is made to proves the numerical implementation feasible. 展开更多
关键词 3D numerical simulation of gas transfer in the goaf air pressure distribution in the goaf weighted upstream multi-element balance numerical simulation method
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陆相淡水湖盆细粒沉积成因机制及页岩油储集特征——以鄂尔多斯盆地西南部三叠系延长组长7_3亚段为例
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作者 刘显阳 刘江艳 +6 位作者 王秀娟 郭芪恒 吕奇奇 杨智 张岩 张忠义 张文选 《石油勘探与开发》 北大核心 2025年第1期84-98,共15页
基于鄂尔多斯盆地西南部三叠系延长组长73亚段页岩油勘探实践进展,综合野外露头、钻井、测井、岩心、地球化学等资料,以及水槽实验模拟等技术手段,开展陆相湖盆细粒沉积古环境、岩相组合和分布、沉积成因及页岩油储集特征的系统研究。... 基于鄂尔多斯盆地西南部三叠系延长组长73亚段页岩油勘探实践进展,综合野外露头、钻井、测井、岩心、地球化学等资料,以及水槽实验模拟等技术手段,开展陆相湖盆细粒沉积古环境、岩相组合和分布、沉积成因及页岩油储集特征的系统研究。结果表明:①长73亚段沉积期研究区古环境整体表现为温暖湿润、梅雨事件频发、水体深度较大的淡水湖盆特征,古地貌呈现西南陡、东北缓的不对称型,可进一步细分为湖底深洼、古沟道、湖底古脊等微古地貌单元。②长73亚段发育一套极细砂岩、粉砂岩、泥页岩、凝灰岩等细粒沉积,垂向多呈薄互层—纹层组合分布,砂岩粒径大多小于62.5μm,单层厚度为0.05~0.64 m,含完整植物碎片,发育波状层理、逆粒序-正粒序组合、爬升沙纹层理等沉积构造,揭示异重流沉积成因。③环形水槽模拟实验再现了异重流搬运过程及沉积特征,主要表现为初期的密度流速差造成头部较厚且粒径较大,上部较薄且粒径偏小的特征;中期滑水作用促使流体头部抬升并向前快速搬运,由此产生的多个“新前端”促使粉砂岩、泥质粉砂岩等细粒砂岩向湖盆中部长距离搬运。④明确了盆地西南部细粒砂质岩以异重流成因为主,指出频繁发育的洪水事件、西南部陡坡地形是异重流发育的主控因素。⑤长73亚段砂岩、泥页岩发育微纳米孔喉系统,不同岩性均含油,但可动油含量差异大,砂岩中可动油含量最大。⑥明确了长73亚段多期异重流砂岩与泥页岩形成的细粒沉积复合体具有“整体含油、差异储集”特征,低TOC泥岩与粉砂岩组合为目前最有利的勘探目标。 展开更多
关键词 细粒沉积 异重流 水槽模拟实验 储集特征 长7_(3)亚段 三叠系延长组 页岩油 鄂尔多斯盆地
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Intrinsic background radiation of LaBr3(Ce)detector via coincidence measurements and simulations 被引量:11
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作者 Hao Cheng Bao-Hua Sun +5 位作者 Li-Hua Zhu Tian-Xiao Li Guang-Shuai Li Cong-Bo Li Xiao-Guang Wu Yun Zheng 《Nuclear Science and Techniques》 SCIE CAS CSCD 2020年第10期33-42,共10页
The LaBr3(Ce)detector has attracted much attention in recent years because of its superior characteristics compared with other scintillating materials in terms of resolution and efficiency.However,it has a relatively ... The LaBr3(Ce)detector has attracted much attention in recent years because of its superior characteristics compared with other scintillating materials in terms of resolution and efficiency.However,it has a relatively high intrinsic background radiation because of the naturally occurring radioisotopes in lanthanum,actinium,and their daughter nuclei.This limits its applications in low-counting rate experiments.In this study,we identified the radioactive isotopes in theφ3"x 3"Saint-Gobain B380 detector by a coincidence measurement using a Clover detector in a low-background shielding system.Moreover,we carried out a Geant4 simulation of the experimental spectra to evaluate the activities of the main internal radiation components.The total activity of the background radiation of B380 is determined to be 1.523(34)Bq/cm^3.The main sources include 138La at 1.428(34)Bq/cm^3,207Tl at 0.0135(13)Bq/cm^3,211Bi at 0.0136(15)Bq/cm^3,215Po at 0.0135(3)Bq/cm^3,219Rn at 0.0125(12)Bq/cm^3,223Fr at 0.0019(11)Bq/cm^3,223Ra at 0.0127(10)Bq/cm^3,227Th at 0.0158(22)Bq/cm^3,and 227Ac at 0.0135(13)Bq/cm^3.Of these,the activities of 207Tl,211Po,215Po,223Fr,and 227Ac are deduced for the first time from the secular equilibrium established in the decay chain of 227Ac. 展开更多
关键词 LaBr3 Coincidence measurement technique Intrinsic radiation GEANT4 simulation
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Device simulation of lead-free CH_3NH_3SnI_3 perovskite solar cells with high efficiency 被引量:5
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作者 杜会静 王韦超 朱键卓 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第10期554-561,共8页
The lead-free perovskite solar cells(PSCs) have drawn a great deal of research interest due to the Pb toxicity of the lead halide perovskite.CHNHSnIis a viable alternative to CHNHPbX,because it has a narrower band gap... The lead-free perovskite solar cells(PSCs) have drawn a great deal of research interest due to the Pb toxicity of the lead halide perovskite.CHNHSnIis a viable alternative to CHNHPbX,because it has a narrower band gap of 1.3 eV and a wider visible absorption spectrum than the lead halide perovskite.The progress of fabricating tin iodide PSCs with good stability has stimulated the studies of these CHNHSnIbased cells greatly.In the paper,we study the influences of various parameters on the solar cell performance through theoretical analysis and device simulation.It is found in the simulation that the solar cell performance can be improved to some extent by adjusting the doping concentration of the perovskite absorption layer and the electron affinity of the buffer and HTM,while the reduction of the defect density of the perovskite absorption layer significantly improves the cell performance.By further optimizing the parameters of the doping concentration(1.3 × 10cm~3) and the defect density(1 × 10cm~3) of perovskite absorption layer,and the electron affinity of buffer(4.0 eV) and HTM(2.6 eV),we finally obtain some encouraging results of the Jof 31.59 mA/cm~2,Vof 0.92 V,FF of 79.99%,and PCE of 23.36%.The results show that the lead-free CHNHSnIPSC is a potential environmentally friendly solar cell with high efficiency.Improving the Snstability and reducing the defect density of CHNHSnIare key issues for the future research,which can be solved by improving the fabrication and encapsulation process of the cell. 展开更多
关键词 CH_3NH_3SnI_3 perovskite solar cells device simulation high efficiency
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Numerical Simulation of the Protective Effect of Complex Boundaries Toward Shock Waves in a 3D Explosive Field 被引量:3
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作者 吴开腾 宁建国 《Journal of Beijing Institute of Technology》 EI CAS 2003年第1期50-54,共5页
A numerical method is presented that simulates 3D explosive field problems. A code MMIC3D using this method can be used to simulate the propagation and reflected effects of all kinds of rigid boundaries to shock waves... A numerical method is presented that simulates 3D explosive field problems. A code MMIC3D using this method can be used to simulate the propagation and reflected effects of all kinds of rigid boundaries to shock waves produced by an explosive source. These numerical results indicate that the code MMIC3D has the ability in computing cases such as 3D shock waves produced by air explosion, vortex region of the shock wave, the Mach wave, and reflected waves behind rigid boundaries. 展开更多
关键词 explosive field shock wave MMIC3D numerical simulation complex boundaries
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A Parallel Discrete Event Simulation Engine for the Low-Earth-Orbit Satellite Constellation Networks
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作者 Su Hailong Liu Yaoqi +3 位作者 Zhou Yiqing Shi Jinglin Li Hongguang Qian Manli 《China Communications》 SCIE CSCD 2024年第8期264-275,共12页
Low-Earth-Orbit satellite constellation networks(LEO-SCN)can provide low-cost,largescale,flexible coverage wireless communication services.High dynamics and large topological sizes characterize LEO-SCN.Protocol develo... Low-Earth-Orbit satellite constellation networks(LEO-SCN)can provide low-cost,largescale,flexible coverage wireless communication services.High dynamics and large topological sizes characterize LEO-SCN.Protocol development and application testing of LEO-SCN are challenging to carry out in a natural environment.Simulation platforms are a more effective means of technology demonstration.Currently available simulators have a single function and limited simulation scale.There needs to be a simulator for full-featured simulation.In this paper,we apply the parallel discrete-event simulation technique to the simulation of LEO-SCN to support large-scale complex system simulation at the packet level.To solve the problem that single-process programs cannot cope with complex simulations containing numerous entities,we propose a parallel mechanism and algorithms LP-NM and LP-YAWNS for synchronization.In the experiment,we use ns-3 to verify the acceleration ratio and efficiency of the above algorithms.The results show that our proposed mechanism can provide parallel simulation engine support for the LEO-SCN. 展开更多
关键词 CONSTELLATION low earth orbit satellite ns-3 null-message parallel discrete-event simulation
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Optical simulation of CsPbI_(3)/TOPCon tandem solar cells with advanced light management 被引量:3
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作者 Min Yue Yan Wang +1 位作者 Hui-Li Liang Zeng-Xia Mei 《Chinese Physics B》 SCIE EI CAS CSCD 2022年第8期709-717,共9页
Monolithic perovskite/Si tandem solar cells(TSCs)have experienced rapid development in recent years,demonstrating its potential to exceed the Shockley-Queisser limit of single junction Si solar cells.Unlike typical or... Monolithic perovskite/Si tandem solar cells(TSCs)have experienced rapid development in recent years,demonstrating its potential to exceed the Shockley-Queisser limit of single junction Si solar cells.Unlike typical organic-inorganic hybrid perovskite/silicon heterojunction TSCs,here we propose CsPbI_(3)/TOPCon TSC,which is a promising architecture in consideration of its pleasurable thermal stability and good compatibility with current PERC production lines.The optical performance of CsPbI_(3)/TOPCon TSCs is simulated by the combination of ray-tracing method and transfer matrix method.The light management of the CsPbI_(3)/TOPCon TSC begins with the optimization of the surface texture on Si subcell,indicating that a bifacial inverted pyramid with a small bottom angle of rear-side enables a further minimization of the optical losses.Current matching between the subcells,as well as the parasitic absorption loss from the front transparent conductive oxide,is analyzed and discussed in detail.Finally,an optimized configuration of CsPbI_(3)/TOPCon TSC with a31.78%power conversion efficiency is proposed.This work provides a practical guidance for approaching high-efficiency perovskite/Si TSCs. 展开更多
关键词 perovskite/Si tandem solar cells simulation TOPCon CsPbI_(3)
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Three-dimensional simulation of fabrication process-dependent effects on single event effects of SiGe heterojunction bipolar transistor 被引量:2
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作者 张晋新 贺朝会 +3 位作者 郭红霞 李培 郭宝龙 吴宪祥 《Chinese Physics B》 SCIE EI CAS CSCD 2017年第8期542-550,共9页
The fabrication process dependent effects on single event effects (SEEs) are investigated in a commercial silicon- germanium heterojunction bipolar transistor (SiGe HBT) using three-dimensional (3D) TCAD simulat... The fabrication process dependent effects on single event effects (SEEs) are investigated in a commercial silicon- germanium heterojunction bipolar transistor (SiGe HBT) using three-dimensional (3D) TCAD simulations. The influences of device structure and doping concentration on SEEs are discussed via analysis of current transient and charge collection induced by ions strike. The results show that the SEEs representation of current transient is different from representation of the charge collection for the same process parameters. To be specific, the area of C/S junction is the key parameter that affects charge collection of SEE. Both current transient and charge collection are dependent on the doping of collector and substrate. The base doping slightly influences transient currents of base, emitter, and collector terminals. However, the SEEs of SiGe HBT are hardly affected by the doping of epitaxial base and the content of Ge. 展开更多
关键词 SiGe HBT single event effects fabrication process dependence 3D simulation
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Existence of Al2F-7^- in molten MF–AlF3(M = K, Cs) systems as determined by Raman spectroscopy and structural simulation 被引量:5
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作者 Ming Lin Xianwei Hu +3 位作者 Zhongning Shi Bingliang Gao Jiangyu Yu Zhaowen Wang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2020年第5期19-23,共5页
The molten mixtures of alkali metal fluorides and aluminum fluoride are applied as aluminum electrolytes or brazing fluxes.However,the presence of Al2F-7^-in such molten systems is disputed.In the present study,MF-AlF... The molten mixtures of alkali metal fluorides and aluminum fluoride are applied as aluminum electrolytes or brazing fluxes.However,the presence of Al2F-7^-in such molten systems is disputed.In the present study,MF-AlF3(M=K,Cs)systems with molar ratios<1 were studied by in-situ Raman spectroscopy and molecular simulation.The results show that,in addition to AlF6^(3-),AlF5^(2-),and AlF4^-,the systems also contained Al2F-7^-.The characteristic bands in the Raman spectra belonging to Al2F-7^-were located at about 225 cm^-1,315 cm^-1,479 cm^-1,and 720 cm^-1.There are two possible structures of Al2F-7^-,which belong to the D3d and D3hpoint groups.Both of these structures are linear,and their single-point energies were found to differ by only 0.31 kcal/mol. 展开更多
关键词 MF-AlF3(M=K Cs)systems Raman spectroscopy STRUCTURAL simulation Al2F7^- Ionic structure
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Parallel computing approach for efficient 3-D X-ray-simulated image reconstruction 被引量:1
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作者 Ou-Yi Li Yang Wang +1 位作者 Qiong Zhang Yong-Hui Li 《Nuclear Science and Techniques》 SCIE EI CAS CSCD 2023年第7期122-136,共15页
Accurate 3-dimensional(3-D)reconstruction technology for nondestructive testing based on digital radiography(DR)is of great importance for alleviating the drawbacks of the existing computed tomography(CT)-based method... Accurate 3-dimensional(3-D)reconstruction technology for nondestructive testing based on digital radiography(DR)is of great importance for alleviating the drawbacks of the existing computed tomography(CT)-based method.The commonly used Monte Carlo simulation method ensures well-performing imaging results for DR.However,for 3-D reconstruction,it is limited by its high time consumption.To solve this problem,this study proposes a parallel computing method to accelerate Monte Carlo simulation for projection images with a parallel interface and a specific DR application.The images are utilized for 3-D reconstruction of the test model.We verify the accuracy of parallel computing for DR and evaluate the performance of two parallel computing modes-multithreaded applications(G4-MT)and message-passing interfaces(G4-MPI)-by assessing parallel speedup and efficiency.This study explores the scalability of the hybrid G4-MPI and G4-MT modes.The results show that the two parallel computing modes can significantly reduce the Monte Carlo simulation time because the parallel speedup increment of Monte Carlo simulations can be considered linear growth,and the parallel efficiency is maintained at a high level.The hybrid mode has strong scalability,as the overall run time of the 180 simulations using 320 threads is 15.35 h with 10 billion particles emitted,and the parallel speedup can be up to 151.36.The 3-D reconstruction of the model is achieved based on the filtered back projection(FBP)algorithm using 180 projection images obtained with the hybrid G4-MPI and G4-MT.The quality of the reconstructed sliced images is satisfactory because the images can reflect the internal structure of the test model.This method is applied to a complex model,and the quality of the reconstructed images is evaluated. 展开更多
关键词 Parallel computing Monte Carlo Digital radiography 3-d reconstruction
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Numerical Simulation of 2D and 3D Sloshing Waves in a Regularly and Randomly Excited Container 被引量:2
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作者 Eswaran M Akashdeep S. Virk Ujjwal K. Saha 《Journal of Marine Science and Application》 2013年第3期298-314,共17页
In this paper,various aspects of the 2D and 3D nonlinear liquid sloshing problems in vertically excited containers have been studied numerically along with the help of a modified-transformation.Based on this new numer... In this paper,various aspects of the 2D and 3D nonlinear liquid sloshing problems in vertically excited containers have been studied numerically along with the help of a modified-transformation.Based on this new numerical algorithm,a numerical study on a regularly and randomly excited container in vertical direction was conducted utilizing four different cases: The first case was performed utilizing a 2D container with regular excitations.The next case examined a regularly excited 3D container with two different initial conditions for the liquid free surface,and finally,3D container with random excitation in the vertical direction.A grid independence study was performed along with a series of validation tests.An iteration error estimation method was used to stop the iterative solver(used for solving the discretized governing equations in the computational domain) upon reaching steady state of results at each time step.In the present case,this method was found to produce quite accurate results and to be more time efficient as compared to other conventional stopping procedures for iterative solvers.The results were validated with benchmark results.The wave elevation time history,phase plane diagram and surface plots represent the wave nonlinearity during its motion. 展开更多
关键词 3D container free surface σ-transformation sloshing wave finite difference method Numerical simulation
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基于二萘并[2,3-B∶2′,3′-D]呋喃基团的高效窄发射蓝光OLED器件
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作者 王小伟 袁江波 +4 位作者 马佩兰 闫自强 崔志远 孙军 彭其明 《发光学报》 EI CAS CSCD 北大核心 2024年第9期1503-1510,共8页
高效率窄光谱蓝色有机电致发光器件(OLED)是柔性显示领域的研究重点之一。本文以二萘并[2,3-B∶2′,3′-D]呋喃为弱电子受体、N-(4-联苯基)-1-萘胺作为电子给体设计合成了一种D-A-D型蓝光分子DPF-NA,其在正己烷溶液中的发射峰位于441 n... 高效率窄光谱蓝色有机电致发光器件(OLED)是柔性显示领域的研究重点之一。本文以二萘并[2,3-B∶2′,3′-D]呋喃为弱电子受体、N-(4-联苯基)-1-萘胺作为电子给体设计合成了一种D-A-D型蓝光分子DPF-NA,其在正己烷溶液中的发射峰位于441 nm。理论计算与光物理测试结果显示DPF-NA具有杂化局域电荷转移激发态(HLCT)特性,兼具局域态(LE)高发光效率与电荷转移态(CT)高激子利用率特征,在二氯甲烷溶液中的光致发光量子效率(PLQY)为81.2%。基于质量分数3%DPF-NA掺杂浓度的OLED器件电致发光(EL)峰位于455 nm,半峰宽(FWHM)仅为26 nm,CIE(x,y)坐标为(0.14,0.08),最大外量子效率(EQEmax)为6.76%。 展开更多
关键词 有机电致发光器件 二萘并[2 3-B∶2′ 3-d]呋喃 蓝光 激子利用 外量子效率
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谷氨酸棒杆菌3-磷酸甘油酸脱氢酶的定向进化改造研究
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作者 黄新燕 孙慕娇 +7 位作者 杜穆花 潘越 张心语 张瑶函 徐宁 刘君 鞠建松 魏亮 《食品与发酵工业》 北大核心 2025年第3期89-96,共8页
3-磷酸甘油酸脱氢酶(3-phosphoglycerate dehydrogenase,PGDH)是L-丝氨酸生物合成途径的限速酶,是影响L-丝氨酸高效合成的关键。该研究以来源于谷氨酸棒杆菌(Corynebacterium glutamicum)的PGDH为研究对象,通过对其酶学性质进行测试分... 3-磷酸甘油酸脱氢酶(3-phosphoglycerate dehydrogenase,PGDH)是L-丝氨酸生物合成途径的限速酶,是影响L-丝氨酸高效合成的关键。该研究以来源于谷氨酸棒杆菌(Corynebacterium glutamicum)的PGDH为研究对象,通过对其酶学性质进行测试分析发现,Cg-PGDH的酶活性仅为1.98 U/mg,而且热稳定性较差,严重制约了L-丝氨酸的高效生物合成。针对这一关键问题,该研究采用定向进化和高通量筛选的方法对Cg-PGDH进行改造,提高酶的催化活性和热稳定性。通过多轮筛选,最终获得了5个催化活性显著提升的突变体,P85Q、D365Y、A389T、A183V、I231V。其中,突变体P85Q的酶活性提升了1.55倍,并显著提高了酶的温度稳定性,最适催化温度达到60℃。随后该研究对P85Q、D365Y、A389T、A183V、I231V等5个突变体的突变位点进行组合突变,获得了温度稳定性进一步提高的突变体P85Q-D365Y。通过对Cg-PGDH突变位点的三维结构解析和分子动力学模拟实验发现,尽管突变体P85Q与D365Y的突变位点不位于Cg-PGDH催化活性中心,但是可通过蛋白结构形变增强Cg-PGDH活性中心130~140区间loop的稳定性,从而增加了酶的底物亲和性和催化活性。相关研究成果为进一步解析PGDH催化机制,提高PGDH催化活性提供了重要的研究基础和方向。 展开更多
关键词 谷氨酸棒杆菌 3-磷酸甘油酸脱氢酶 定向进化 高通量筛选 温度稳定性 分子动力学模拟
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Effect of Valence Band Tail Width on the Open Circuit Voltage of P3HT:PCBM Bulk Heterojunction Solar Cell:AMPS-1D Simulation Study 被引量:5
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作者 Bushra Mohamed Omer 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第8期216-220,共5页
The effect of the valence band tail width on the open circuit voltage of P3HT:PCBM bulk heterojunction solar cell is investigated by using the AMPS-1D computer program. An effective medium model with exponential vale... The effect of the valence band tail width on the open circuit voltage of P3HT:PCBM bulk heterojunction solar cell is investigated by using the AMPS-1D computer program. An effective medium model with exponential valence and conduction band tail states is used to simulate the photovoltaic cell. The simulation result shows that the open circuit voltage depends Iinearly on the logarithm of the generation rate and the slope depends on the width of the valence band tail. The open circuit voltage decreases with the increasing width of the band tail. The dark and light ideality factors increase with the width of the valence band tail. 展开更多
关键词 Effect of Valence Band Tail Width on the Open Circuit Voltage of P3HT:PCBM Bulk Heterojunction Solar Cell:AMPS-1D simulation Study HT
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Magnetic field of mathematical modeling and simulation of 3D magnetic pole array spherical actuator
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作者 孟宏君 王占林 焦中夏 《Journal of Beijing Institute of Technology》 EI CAS 2015年第1期97-104,共8页
In this paper a new spherical actuator is designed and its advantages are compared to an existing spherical actuator, which function is limited by several design bottlenecks. First the output torque is too small. Seco... In this paper a new spherical actuator is designed and its advantages are compared to an existing spherical actuator, which function is limited by several design bottlenecks. First the output torque is too small. Second, the attitude is difficult to be accurately detected. The new three-dimen- sional magnetic pole array can solve these major problems. The new actuator features an outer rotor with multiple permanent magnet (PM) poles. Using an analytical solution and the finite element so- lution simulation, the feasibility of the approach is verified. A prototype was developed, tested, and experiments were conducted to obtain the practical value of the magnetic flux density. 展开更多
关键词 3-d magnetic pole array spherical actuator simulation HALBACH motor design
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Modeling of Irregular Structures in Scene Simulation Based on Creator and 3dsmax 被引量:2
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作者 陈施能 徐利梅 李辉 《Journal of Electronic Science and Technology of China》 2006年第2期187-191,共5页
Creating proper 3D models plays an important pole in the development of scene simulation system based on multigen creator and Vega software. However, it is very difficult to construct complex structures by multigen cr... Creating proper 3D models plays an important pole in the development of scene simulation system based on multigen creator and Vega software. However, it is very difficult to construct complex structures by multigen creator. In this paper, an approach is proposed which is utilizing 3dsmax as assistant modeling software. 3D models developed in 3dsmax could be saved in 3ds format and then imported into multigen creator software. The models are revised and then saved in fit format by creator. For reducing model's data, simplification strategy is proposed. The problem of constructing complex models in creator is solved smoothly. In the development of digital rocket simulation project, the models constructed by this method have good visual effect, small size, and could be driven by Vega correctly. 展开更多
关键词 scene simulation MODELING multigen creator 3dsmax
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Benchmarks of 3D Laplace Equation Solvers in a Cubic Configuration for Streamer Simulation
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作者 Joseph-Marie PLEWA Olivier DUCASSE +4 位作者 Philippe DESSANTE Carolyn JACOBS Olivier EICHWALD Nicolas RENON Mohammed YOUSFI 《Plasma Science and Technology》 SCIE EI CAS CSCD 2016年第5期538-543,共6页
The aim of this paper is to test a developed SOR R&B method using the Chebyshev accelerator algorithm to solve the Laplace equation in a cubic 3D configuration. Comparisons are made in terms of precision and computin... The aim of this paper is to test a developed SOR R&B method using the Chebyshev accelerator algorithm to solve the Laplace equation in a cubic 3D configuration. Comparisons are made in terms of precision and computing time with other elliptic equation solvers proposed in the open source LIS library. The first results, obtained by using a single core on a HPC, show that the developed SOR R&B method is efficient when the spectral radius needed for the Chebyshev acceleration is carefully pre-estimated. Preliminary results obtained with a parallelized code using the MPI library are also discussed when the calculation is distributed over one hundred cores. 展开更多
关键词 numerical methods for elliptic equations high performance computing 3Dstreamer simulation SOR IDR BiCGSTAB
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