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基于Stacking集成学习模型的苹果树逐日蒸散量模拟研究
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作者 王娜娜 毕远杰 +2 位作者 何苗 郭向红 雷涛 《水电能源科学》 北大核心 2024年第2期207-211,共5页
为准确模拟苹果树逐日蒸散量,以支持向量机(SVM)、多层感知机(MLP)、随机森林(RF)和梯度提升决策树(GBDT)为初级学习器,以多元线性回归(MLR)为次级学习器,基于Stacking策略建立集成学习模型(LSM),将LSM模型的模拟精度与MLR、SVM、MLP、R... 为准确模拟苹果树逐日蒸散量,以支持向量机(SVM)、多层感知机(MLP)、随机森林(RF)和梯度提升决策树(GBDT)为初级学习器,以多元线性回归(MLR)为次级学习器,基于Stacking策略建立集成学习模型(LSM),将LSM模型的模拟精度与MLR、SVM、MLP、RF、GBDT模型的模拟精度进行对比。结果表明,影响苹果树蒸散量的主要因子为日平均太阳辐射、相对湿度、风速、温度和日序数,最大互信息值分别为0.97、0.72、0.63、0.62、0.60,表层土壤温度及土壤含水率对蒸散量的影响较小。相比于MLR、SVM、MLP、RF、GBDT模型,LSM模型的模拟精度最高,MLR模型的模拟精度最低;使用日平均太阳辐射、相对湿度、风速、温度及日序数5个特征参数在准确模拟苹果树蒸散量的同时,还能降低特征的获取成本。研究结果可为苹果树逐日蒸散量的精准模拟提供有效方法。 展开更多
关键词 作物蒸散量 苹果树 机器学习 stacking集成学习 模拟精度 影响因子
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Three-dimensional finite element simulation and reconstruction of jointed rock models using CT scanning and photogrammetry
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作者 Yingxian Lang Zhengzhao Liang Zhuo Dong 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE CSCD 2024年第4期1348-1361,共14页
The geometry of joints has a significant influence on the mechanical properties of rocks.To simplify the curved joint shapes in rocks,the joint shape is usually treated as straight lines or planes in most laboratory e... The geometry of joints has a significant influence on the mechanical properties of rocks.To simplify the curved joint shapes in rocks,the joint shape is usually treated as straight lines or planes in most laboratory experiments and numerical simulations.In this study,the computerized tomography (CT) scanning and photogrammetry were employed to obtain the internal and surface joint structures of a limestone sample,respectively.To describe the joint geometry,the edge detection algorithms and a three-dimensional (3D) matrix mapping method were applied to reconstruct CT-based and photogrammetry-based jointed rock models.For comparison tests,the numerical uniaxial compression tests were conducted on an intact rock sample and a sample with a joint simplified to a plane using the parallel computing method.The results indicate that the mechanical characteristics and failure process of jointed rocks are significantly affected by the geometry of joints.The presence of joints reduces the uniaxial compressive strength (UCS),elastic modulus,and released acoustic emission (AE) energy of rocks by 37%–67%,21%–24%,and 52%–90%,respectively.Compared to the simplified joint sample,the proposed photogrammetry-based numerical model makes the most of the limited geometry information of joints.The UCS,accumulative released AE energy,and elastic modulus of the photogrammetry-based sample were found to be very close to those of the CT-based sample.The UCS value of the simplified joint sample (i.e.38.5 MPa) is much lower than that of the CT-based sample (i.e.72.3 MPa).Additionally,the accumulative released AE energy observed in the simplified joint sample is 3.899 times lower than that observed in the CT-based sample.CT scanning provides a reliable means to visualize the joints in rocks,which can be used to verify the reliability of photogrammetry techniques.The application of the photogrammetry-based sample enables detailed analysis for estimating the mechanical properties of jointed rocks. 展开更多
关键词 X-ray computerized tomography(CT)scanning PHOTOGRAMMETRY Parallel computing Numerical simulation Uniaxial compression test Digital image processing
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COMPUTERIZED SIMULATION AND EXPERIMENTAL RESEARCH ON SOFT-SWITCHING ARC WELDING INVERTER POWER SOURCE 被引量:24
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作者 S. J. Chen S. Y. Yin L. Feng and L. Y. Li( 1) School of Materials Science and Engineering, Beijing Polytechnic University, Beijing 100022, China 2)National Key Laboratory of Advanced Welding Production Technology, HIT, Harbin 150001, China) 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2000年第1期128-132,共5页
Based on the existing component models in the Pspice software package, a combined model for Insulat- ed the Bipolar Transistor (IGBT) is established, in which a non - linear is introduced to represent the parasitic ... Based on the existing component models in the Pspice software package, a combined model for Insulat- ed the Bipolar Transistor (IGBT) is established, in which a non - linear is introduced to represent the parasitic capacitance. Using this model, computerized simulation is conducted for the FB - ZVZCS - PWM soft - ewitching converter,the switching and energy-transferring characteristics of the components are analyzed.The simulation results are testified by experiments.It is proved that by abopting appropriate models,computerized simulation becomes an effective tool for investigation of arc welding inverter power source. 展开更多
关键词 arc welding inverter computerized simulation.IGBT soft switching
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COMPUTERIZED SIMULATION OF MOLTEN SALT SOLUTION OF Li,KF,Cl SYSTEM BY MOLECULAR DYNAMIC METHOD 被引量:2
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作者 SHAO Jun Shanghai University of Science and Technology,Shanghai,ChinaXU Hua CHEN Nianyi Shanghai Institute of Metallurgy,Academia Sinica,Shanghai,China SHAO Jun Associate Professor,Dept.of Chemistry,Shanghai University of Science and Technology,Shanghai 201800,China 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 1990年第10期221-225,共5页
The structure and properties of molten salt solution o J Li,K|F,Cl system have been investiged by computerized simulation of molecular dynamic method.The partial RDF,the partial molar energy of mixing and the diffusio... The structure and properties of molten salt solution o J Li,K|F,Cl system have been investiged by computerized simulation of molecular dynamic method.The partial RDF,the partial molar energy of mixing and the diffusion coeffients of Li^+,K^+,F^- and Cl^- have been calculated. The results are in agreement with the experimental values.The regularities of the distribution of ions and mieroscopic holes are discussed based on the results of computerized simulation. 展开更多
关键词 alkali halide molten salt molecular dynamic method computerized simulation
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COMPUTERIZED SIMULATION OF THERMODYNAMICS FOR MOLTEN LiF-KF SOLUTION BY MONTE CARLO METHOD
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作者 XU Chi JIANG Naixiong CHEN Nianyi Shanghai Institute of Metallurgy,Academia Sinica,Shanghai,China 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 1992年第8期145-148,共4页
The structure and behaviour of LiF-KF solution,as a typical common-anion system,has been simulated by Monte Carlo method.The calculation of partial radial distribution function of ions,heat of mixing and potential ene... The structure and behaviour of LiF-KF solution,as a typical common-anion system,has been simulated by Monte Carlo method.The calculation of partial radial distribution function of ions,heat of mixing and potential energy distribution shows that the average distance be- tween Li^+ and F^- ions will significantly narrow after mixing of molten LiF and KF.This is very similar to the lean-on-one-side effect in molten LiF-KCl solution.The calculated heat of mixing is in fair agreement with the measured one.The dominant source of the energy of mixing may be that the decrease of the repulsion energy between cations,the decrease of the attraction energy between cations and anions,and the decrease of the repulsion energy be- tween anions. 展开更多
关键词 molten salt Monte Carlo method computerized simulation thermodynamic property LiF-KF system
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Computerized Simulation of the Structure of Molten DyF_3-LiF System
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作者 徐驰 刘健 +2 位作者 陈念贻 李洁 唐定骧 《Journal of Rare Earths》 SCIE EI CAS CSCD 1993年第3期170-173,共4页
The structure of molten DyF_3-LiF system has been simulated by Monte Carlo method.The radial distribution functions(RDFs)and the local structure have been obtained.It is concluded that F^- ions distribute closely arou... The structure of molten DyF_3-LiF system has been simulated by Monte Carlo method.The radial distribution functions(RDFs)and the local structure have been obtained.It is concluded that F^- ions distribute closely around Dy^(3+) ions.There exist some fissures and holes between F^- ions and Li^+ ions. There are mainly two kinds of ionic types:the complex ions like DyF_n^(3-n) clusters with the central Dy^(3+) ions (the main ionic clusters are octahedral complex ions like DyF_6^(3-))and the“free”Li^+ ions.Moreover,some complex ions like DyF_n^(3-n) clusters are connected to one another by flourine-bridge,forming more compli- cated ionic clusters like Dy_m^(3m-n) F_n.By calculating the potential energies of all types of ions,it is concluded that Li^+ ions have the highest potential energy in the molten system,which are current-carrying ions in the electrolytic conductance. 展开更多
关键词 Rare-Earth flouride Molten salt computerized simulation Monte Carlo method Local structure
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Computerized Simulation of Structure of NaAIO_2 Melt
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作者 Chi XU Ming LI Nianyi CHEN Shanghai Institute of Metallurgy,Academia Sinica,Shanghai,200050,China 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 1993年第1期65-67,共3页
The structure of NaAlO_2 melt has been studied by computerized simulation using Monte Carlo method.The radial distribution functions and Local structure of this melt are calculated.It has been found that NaAlO_2 melt ... The structure of NaAlO_2 melt has been studied by computerized simulation using Monte Carlo method.The radial distribution functions and Local structure of this melt are calculated.It has been found that NaAlO_2 melt contains ionic clusters formed by corner-sharing AlO_4 tetrahedra,sodium ions and xNa^+.yO^(2-) ionic clusters. 展开更多
关键词 computerized simulation N_aAlO_2 melt Monte Carlo method
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Molecular dynamics simulation study onπ-πstacking of Gemini surfactants in oil/water systems
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作者 Jule Ma Peiwen Xiao +6 位作者 Pingmei Wang Xue Han Jianhui Luo Ruifang Shi Xuan Wang Xianyu Song Shuangliang Zhao 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2022年第10期335-346,共12页
Whereas theπ-πstacking interactions at oil/water interfaces can affect interfacial structures hence the interfacial properties,the underlying microscopic mechanism remains largely unknown.We reported an all-atom mol... Whereas theπ-πstacking interactions at oil/water interfaces can affect interfacial structures hence the interfacial properties,the underlying microscopic mechanism remains largely unknown.We reported an all-atom molecular dynamics(MD)simulation study to demonstrate how the Gemini surfactants with pyrenyl groups affect the interracial properties,structural conformations,and the motion of molecules in the water/n-octane/surfactant ternary systems.It is found that the pyrenyl groups tend to be vertical to the interface owing to theπ-πstacking interaction.Besides,a synergistic effect between theπ-πinteraction and steric hindrance is found,which jointly affects the coalescence of liquid droplets.Therefore,the existence of aromatic groups and a moderate number of surfactants helps to form microemulsion.This work provides a molecular understanding of Gemini surfactants with aromatic groups in microemulsion preparation and applications. 展开更多
关键词 SURFACTANTS Interface Interfacial tension p-p stacking MICROEMULSION Molecular simulation
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基于Stacking集成学习的飞行模拟器设备故障预判 被引量:1
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作者 王伟 周晓光 +1 位作者 卓靖升 王刚 《海军航空大学学报》 2023年第5期413-418,共6页
为精准研判飞行模拟器故障问题,提升飞行模拟器故障应急处理能力,提出了1种基于Stacking集成学习的设备故障预判方法。首先,针对设备故障数据具有高维度和时序性的特点,采用正态分布法,对采集的原始故障数据进行缺失值和异常值处理,获... 为精准研判飞行模拟器故障问题,提升飞行模拟器故障应急处理能力,提出了1种基于Stacking集成学习的设备故障预判方法。首先,针对设备故障数据具有高维度和时序性的特点,采用正态分布法,对采集的原始故障数据进行缺失值和异常值处理,获取归一化数据,并基于核主成分分析法,提取数据的特征并降低数据维度;然后,构建以CNN、RF、BP神经网络为基分类器,XGBoost为元分类器的Stacking集成学习模型,采用交叉验证训练策略,对设备的故障类型作出预判;最后,构架典型案例。仿真结果表明,所提方法可正确有效地识别设备的多种故障状态。 展开更多
关键词 飞行模拟器 stacking集成学习 数据预处理 特征提取 故障预判
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COMPUTER SIMULATION IN MAN-MACHINE-ENVIRONMENT SYSTEM ENGINEERING
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作者 Yuan Xiugan(Fifth Department,Beijing University of Aeronautics andAstronautics,Beijing,China,100083) 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 1995年第3期168-173,共6页
The applications and trends of computer simulation of man-machine-en-vironment systems are presented in this paper.Topics such as the modeling of a humanphysiological system,simulation of the nucro-environment in an a... The applications and trends of computer simulation of man-machine-en-vironment systems are presented in this paper.Topics such as the modeling of a humanphysiological system,simulation of the nucro-environment in an aireraft cabin,and thecomputer graphic 展开更多
关键词 computerized simulation human FACTORS ENGINEERING computer GRAPHICS ANALOGIES
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COMPUTER SIMULATION OF DIRECT TORQUE CONTROL SYSTEM
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作者 Hu Yuwen Xu Yue(Department of Automatic Control,NUAA 29 Yudao Street,Nanjing 210016,P.R.China) 《Transactions of Nanjing University of Aeronautics and Astronautics》 EI 1994年第2期189-193,共5页
Computer simulation researches on Direct Torque Control System (DTC) are to be done. That fact is demonstrated:at high speed,the operating property of an induction motor is very good,almost the same as fieldoriented c... Computer simulation researches on Direct Torque Control System (DTC) are to be done. That fact is demonstrated:at high speed,the operating property of an induction motor is very good,almost the same as fieldoriented control system fat low speed (for example: below 2-3Hz), the operating property of a motor is getting worse,and the stator resistance R1 of the motor must be compensated. If compensation precision gets 5 %,the operating property of the motor will be greatly improved. 展开更多
关键词 computerized simulation SPEED CONTROL SYSTEM motors
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Computerized simulative method of three dimensions outline of log
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作者 王阿川 金维洙 +3 位作者 韩玉杰 蔡立新 杨家武 贾娜 《Journal of Forestry Research》 SCIE CAS CSCD 1999年第2期127-128,共2页
Log centering accuracy depends on the computerized simulative level of its three-dimension outline. In this paper, the basic methods about distinguishing three dimensions outline of log by means of computerized simula... Log centering accuracy depends on the computerized simulative level of its three-dimension outline. In this paper, the basic methods about distinguishing three dimensions outline of log by means of computerized simulation are discussed. It is suggested that straight lines or certain curves should be introduced to connect the separated points along some log generatrices. Taking bent logs for example verify the accuracy of computerized simulative method. 展开更多
关键词 computerized simulation Three dimensions outline LOG
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Simulation of MoS_(2)stacked nanosheet field effect transistor
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作者 Yang Shen He Tian Tianling Ren 《Journal of Semiconductors》 EI CAS CSCD 2022年第8期41-45,共5页
Transition metal dichalcogenides are nowadays appealing to researchers for their excellent electronic properties.Vertical stacked nanosheet FET(NSFET)based on MoS_(2)are proposed and studied by Poisson equation solver... Transition metal dichalcogenides are nowadays appealing to researchers for their excellent electronic properties.Vertical stacked nanosheet FET(NSFET)based on MoS_(2)are proposed and studied by Poisson equation solver coupled with semiclassical quantum correction model implemented in Sentaurus workbench.It is found that,the 2D stacked NSFET can largely suppress short channel effects with improved subthreshold swing and drain induced barrier lowering,due to the excellent electrostatics of 2D MoS_(2).In addition,small-signal capacitance is extracted and analyzed.The MoS_(2)based NSFET shows great potential to enable next generation electronics. 展开更多
关键词 MoS_(2) stacked nanosheet GAA TCAD simulation
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Applied Strain Field on Microstructure Optimization of Ti-Al-Nb Alloy Computer Simulated by Phase Field Approach 被引量:3
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作者 Wei GUO Yaping ZONG +1 位作者 Gang WANG Liang ZUO Department of Materials Science and Engineeing,Northeastern University,Shenyang 110004, China 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2004年第3期245-248,共4页
The effects of applied tensile strain on the coherent α_2→O-phase transformation in Ti-Al-Nb alloys are explored bycomputer simulation using a phase-field method. The focus is on the influence of the applied strain ... The effects of applied tensile strain on the coherent α_2→O-phase transformation in Ti-Al-Nb alloys are explored bycomputer simulation using a phase-field method. The focus is on the influence of the applied strain direction onthe microstructure and volume fraction of the O-phase precipitates. It is found that altering applied strain directioncan modify microstructure of Ti-25Al-10~12Nb (at. pct) alloy during α_2→O-phase transformation effectively andfull laminate microstructure in the Ti-25Al-10Nb (at. pct) alloy can be realized by an applied strain only along thedirection 30°away from the α_2 phase <1010> in magnitude equivalent to the stress-free transformation strain. Thesimulation also shows that not only the magnitude of applied strain but also the applied strain direction influencesthe O-phase volume fraction and the effect of strain direction on the volume fraction is up to 25%. 展开更多
关键词 Phase field simulation Strain induced phase transformation Ti-Al-Nb alloy computerization materials Microstructure evoutionv Precipitates geometry Microstructure design
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Evaluation of Molecular Structural Effects on Needle Coke Mesophase Stacking 被引量:3
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作者 Yang Haiyang Wang Chunlu +3 位作者 Zhou Han Wang Lixin Ren Qiang Fan Qiming 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS 2020年第3期94-100,共7页
Molecular simulations were performed to investigate the molecular structural effects on needle coke mesophase stacking.The simulation results showed that the stacking states of anthracene trimer and tetramer accumulat... Molecular simulations were performed to investigate the molecular structural effects on needle coke mesophase stacking.The simulation results showed that the stacking states of anthracene trimer and tetramer accumulations were orderly,while the stacking states of anthracene dimer,pentamer,and hexamer accumulations were disorderly.Anthracene trimer and tetramer in the model compounds were two of the most ideal needle coke mesophase constituents.It was also found that the introduction of methyl side chains in anthracene trimer derivatives was not conducive to the formation of a mesophase crystal.To sum up,the molecules which had similar structures to anthracene trimer or tetramer with no alkyl chains are ideal constituents of needle coke mesophase. 展开更多
关键词 molecular simulation needle coke MESOPHASE stacking interlayer spacing
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Aerodynamic Simulation of A Containership to Evaluate Cargo Configuration Effect on Frontal Wind Loads 被引量:1
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作者 Hamed MAJIDIAN Farhood AZARSINA 《China Ocean Engineering》 SCIE EI CSCD 2018年第2期196-205,共10页
Fuel consumption has always been a matter of concern for ships propulsion. In this research we aim to develop computer models of several containership cargo stacking configurations and discuss an optimal configuration... Fuel consumption has always been a matter of concern for ships propulsion. In this research we aim to develop computer models of several containership cargo stacking configurations and discuss an optimal configuration at a constant front wind speed. The paper presents the simulation results by using ANSYS CFX for a 1:4 scale PostPanamax 9000 TEU containership. The ship is modelled in a cubic domain that contains unstructured mesh with details, in such a way that can demonstrate the influence of the container configuration on wind force. Also the numerical results are verified versus wind tunnel test data. An optimal stack configuration led to about 25%reduction in air resistance. It is proposed that in order to reduce the wind drag force and consequently reduce the fuel consumption and pollutant emissions, empty spaces between the cargo containers and unbalanced cargo distribution over the deck should be inhibited. Also, it is advised to make the cargo distribution on the most forward and aftward deck areas more streamlined. 展开更多
关键词 containership numerical simulation wind force cargo stacking optimization
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Effects of twin and stacking faults on the deformation behaviors of Al nanowires under tension loading 被引量:1
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作者 安敏荣 宋海洋 苏锦芳 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第10期349-354,共6页
The effects of twin spacing and temperature on the deformation behavior of nanotwinned Al under tensile loading are investigated using a molecular dynamic(MD) simulation method.The result shows that the yield streng... The effects of twin spacing and temperature on the deformation behavior of nanotwinned Al under tensile loading are investigated using a molecular dynamic(MD) simulation method.The result shows that the yield strength of nanotwinned Al decreases with the increase of twin spacing,which is related to the repulsive force between twin boundary and the dislocation.The result also shows that there is no strain-hardening at the yield point.On the contrary,the stress is raised by strain hardening in the plastic stage.In addition,we also investigate the effects of stacking fault thickness and temperature on the yield strength of the Al nanowire.The simulation results indicate that the stacking fault may strengthen the Al nanowire when the thickness of the stacking fault is below a critical value. 展开更多
关键词 molecular dynamic simulation deformation twin stacking fault
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MOLECULAR DYNAMIC SIMULATIONS OF MOLTEN NaF
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作者 ZHANG Jing CHENG Zhaonian +1 位作者 CHEN Nianyi, Shanghai Institute of Metallurgy, Academia Sinica, China CHENG Zhaonian Associate Professor, Shanghai Institute of Metallurgy, Academia Sinica, Shanghai 200050, China 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 1992年第7期28-32,共5页
The structure and transport properties in molten NaF have been studied using the method of molecular dynamics simulation. The calculations are based on two models of interionic potentials, which are Fumi-Tosi potentia... The structure and transport properties in molten NaF have been studied using the method of molecular dynamics simulation. The calculations are based on two models of interionic potentials, which are Fumi-Tosi potential (FT) and the Fumi-Tosi potential without Van der Waals attractive item (FT). The radial distribution function (RDF) and the Na^+ and F^- self-diffusion coefficients have been calculated. The calculated results are in good agreement with the experimental ones. The calculation shows that the two models give nearly identical radial distribution function and self-diffusion coefficient, but the results of FTpotential are a little better than those of FT potential. 展开更多
关键词 molten NaF molecular dynamics computerized simulation
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Effects of Particle Stacking Angle on Heat Transfer Characteristics of Particles Close to the Wall
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作者 Kai Zhang Peng Sun +5 位作者 Bin Zheng Jiguo Xu Youtang Wang Zhenling Wang Quanzhen Wang Yongqi Liu 《World Journal of Engineering and Technology》 2021年第1期83-91,共9页
The primary energy demand increases, but a large amount of waste heat resources w</span><span style="font-family:Verdana;">ere </span><span style="font-family:Verdana;">... The primary energy demand increases, but a large amount of waste heat resources w</span><span style="font-family:Verdana;">ere </span><span style="font-family:Verdana;">not effectively used. To explore the influence of particle stacking structure on waste heat recovery process, CFD method was used to simulate. An unsteady heat transfer model of two particles was established, effect of particle stacking angle on heat transfer characteristics of the particles close to the wall under different initial temperature conditions was studied. Results show that: higher initial temperature, resulting in increased heat transfer time, the larger particle stacking angle causes the shortening of heat transfer time. When initial temperature is 1073</span><span style="font-family:Verdana;"> </span><span style="font-family:Verdana;">K, the average wall heat flux shows a trend of rapid decline first and then a slow one. At the same moment, the larger stacking angle causes smaller particle average temperature. The change of particle stacking angle shows a greater impact on the temperature of the particles close to adiabatic wall. The increase in the stacking angle resulting in better heat transfer characteristics between particles. 展开更多
关键词 stacking Structure Waste Heat Recovery stacking Angle Particles Close to the Wall Numerical simulation
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Formation of I1 stacking fault by deformation defect evolution from grain boundaries in Mg
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作者 Yong-Jie Hu Vaidehi Menon Liang Qi 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2022年第10期2717-2729,共13页
I_(1)stacking faults(SFs)in Mg alloys are regarded as the nucleation sites of<c+a>dislocations that are critical for these alloys to achieve high ductility.Previously it was proposed that the formation of I_(1)S... I_(1)stacking faults(SFs)in Mg alloys are regarded as the nucleation sites of<c+a>dislocations that are critical for these alloys to achieve high ductility.Previously it was proposed that the formation of I_(1)SFs requires the accumulations of a large number of vacancies,which are difficult to achieve at low temperatures.In this study,molecular dynamics(MD)and molecular statics(MS)simulations based on empirical interatomic potentials were applied to investigate the deformation defect evolutions from the symmetric tilt grain boundaries(GBs)in Mg and Mg-Y alloys under external loading along<c>-axis.The results show the planar faults(PFs)on Pyramidal I planes first appear due to the nucleation and glide of(1/2 c+p)partial dislocations from GBs,where p=1/3(1010).These partial dislocations with pyramidal PFs interact with other defects,including pyramidal PFs themselves,GBs,and ppartial dislocations,generating a large amount of I_(1)SFs.Detailed analyses show the nucleation and growth of I_(1)SFs are achieved by atomic shuffle events and deformation defect reactions without the requirements of vacancy diffusion.Our simulations also suggest the Y clusters at GBs can reduce the critical stress for the formation of pyramidal PFs and I_(1)SFs,which provide a possible reason for the experimental observations that Y promotes the<c+a>dislocation activities. 展开更多
关键词 Magnesium alloys I1 stacking faults dislocations Grain boundaries Defect nucleation and evolution Molecular dynamics simulations
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