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Traction rheological properties of simulative soil for deep-sea sediment 被引量:3
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作者 QI Cailing RAO Qiuhua +1 位作者 LIU Qi MA Wenbo 《Journal of Oceanology and Limnology》 SCIE CAS CSCD 2019年第1期62-71,共10页
The traction capacity of the mining machine is greatly in?uenced by the traction rheological properties of the deep-sea sediments. The best simulative soil was prepared for substituting the deep-sea sediment based on ... The traction capacity of the mining machine is greatly in?uenced by the traction rheological properties of the deep-sea sediments. The best simulative soil was prepared for substituting the deep-sea sediment based on the deep-sea sediment collected from the Paci?c C-C mining area. Traction rheological properties of the simulative soil were studied by a home-made test apparatus. In order to accurately describe the traction rheological properties and determine traction rheological parameters, the Newtonian dashpot in Maxwell body of Burgers model was replaced by a self-similarity spring-dashpot fractance and a new rheological constitutive model was deduced by fractional derivative theory. The results show the simulative soil has obvious non-attenuate rheological properties. The transient creep and stable creep rate increase with the traction, but they decrease with ground pressure. The fractional derivative Burgers model are better in describing non-attenuate rheological properties of the simulative soil than the classical Burgers model. For the new traction rheological constitutive equation of the simulative soil, the traction rheological parameters can be obtained by ?tting the tested traction creep data with the traction creep constitutive equation. The ground contact length of track and walking velocity of the mining machine predicted by the traction rheological constitutive equation can be used to take full advantages of the maximum traction provided by the soil and safely improve mining effciency. 展开更多
关键词 simulative SOIL TRACTION RHEOLOGICAL properties CONSTITUTIVE model RHEOLOGICAL parameters ground contact length of TRACK WALKING velocity
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Computer-based simulative training system--a new approach to teaching pre-hospital trauma care 被引量:2
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作者 Tao Hong 《Journal of Medical Colleges of PLA(China)》 CAS 2011年第6期335-344,共10页
Objective:A computer-based STS(simulative training system) in providing pre-hospital trauma care at a disaster site was applied to teaching nursing students in the Second Military Medical University,China.This article... Objective:A computer-based STS(simulative training system) in providing pre-hospital trauma care at a disaster site was applied to teaching nursing students in the Second Military Medical University,China.This article reports on the teaching effectiveness of this system.Methods:Among 92 participants,46 were in the study group and 46 were in the 'control' group. Each student completed a multiple-choice quiz after completing 18 hours(six three-hour sessions) of the study module,and a score was recorded.The simulative training module was completed only by the study group;the 'control' group was assigned in-class discussions for the same amount of time covering the same content as the study group.The final course scores,which included both comprehensive and group task-based tests were compared between these two groups.The study used a descriptive and comparative approach for quantitative data analysis.Tests of independency between the multiple choice scores and the simulation scores were also performed.Finally,anonymous surveys were conducted.Results:The study group performed better than the 'control' group with a significantly higher average score for the group scenario task-based test score,and consequently the study group's final course score was significantly higher than the 'control' group.As per chi-square tests,no significant associations were found between the multiple choice scores and the simulated training scores.The final surveys showed students overwhelmingly agreed that STS training improved their knowledge and skills,their ability to recognize a potential critical event, and their initial response for trauma care at pre-hospital settings.The survey responses of the study group were noteworthy as they indicated that students recognized the importance of simulative training,appreciated the realism of the simulation,and were able to fight/adjust to the stressful feelings in order to focus on the task.Conclusion:Computer-based STS may be an effective teaching model to help students improve their capability in providing pre-hospital trauma care,and in their effectiveness in disaster response. 展开更多
关键词 Computer-based simulation Pre-hospital trauma care simulative training system TEACHING
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Shear creep parameters of simulative soil for deep-sea sediment 被引量:1
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作者 马雯波 饶秋华 +2 位作者 李鹏 郭帅成 冯康 《Journal of Central South University》 SCIE EI CAS 2014年第12期4682-4689,共8页
Based on mineral component and in-situ vane shear strength of deep-sea sediment, four kinds of simulative soils were prepared by mixing different bentonites with water in order to find the best simulative soil for the... Based on mineral component and in-situ vane shear strength of deep-sea sediment, four kinds of simulative soils were prepared by mixing different bentonites with water in order to find the best simulative soil for the deep-sea sediment collected from the Pacific C-C area. Shear creep characteristics of the simulative soil were studied by shear creep test and shear creep parameters were determined by Burgers creep model. Research results show that the shear creep curves of the simulative soil can be divided into transient creep, unstable creep and stable creep, where the unstable creep stage is very short due to its high water content. The shear creep parameters increase with compressive stress and change slightly or fluctuate to approach a constant value with shear stress, and thus average creep parameters under the same compressive stress are used as the creep parameters of the simulative soil. Traction of the deep-sea mining machine walking at a constant velocity can be calculated by the shear creep constitutive equation of the deep-sea simulative soil, which provides a theoretical basis for safe operation and optimal design of the deep-sea mining machine. 展开更多
关键词 shear creep parameter simulative soil deep-sea sediment shear creep test Burgers model
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Research and Design of Simulative System of Elevators Based on Java
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作者 陈纪龙 杨全丽 +1 位作者 张芳 吴雄 《Agricultural Science & Technology》 CAS 2014年第2期307-309,共3页
The aim of the study is to simulate actual operation of an elevator. First, it designed elevator scheduling algorithm for control ing operation of the elevator;second, it simulated elevator operation by the use of obj... The aim of the study is to simulate actual operation of an elevator. First, it designed elevator scheduling algorithm for control ing operation of the elevator;second, it simulated elevator operation by the use of object-oriented programming language, in which double buffering technology was used to solve the problem of elevator pictures flicker at refreshing; final y, test correctness and rationality of the system. 展开更多
关键词 Elevator simulation system Elevator scheduling algorithm Double buffer- ing technology
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Simulative analysis for deep seabed mining lifting systems
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作者 JilingMao YanhuaShen 《Journal of University of Science and Technology Beijing》 CSCD 2002年第3期161-165,共5页
Computer simulation was used for hydraulic lifting systems. Based on theoryof multiphase flows and their applications on the lifting systems, mathematical models for pumplifting and air lifting were built and simulati... Computer simulation was used for hydraulic lifting systems. Based on theoryof multiphase flows and their applications on the lifting systems, mathematical models for pumplifting and air lifting were built and simulative analysis programs for them were developedrespectively. Corresponding lifting behaviors and system parameters were analyzed and optimum matchof the parameters for future pilot mining tests and commercial mining production was predicted. 展开更多
关键词 simulative analysis deep seabed mining polymetallic nodule liftingsystem multiphase flow
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Simulative technology for auxiliary fuel tank separation in a wind tunnel 被引量:6
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作者 Ma Xin Liu Wei +3 位作者 Chen Ling Li Xiao Jia Zhenyuan Shang Zhiliang 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2016年第3期608-616,共9页
In this paper, we propose a simulative experimental system in wind tunnel conditions lbr the separation of auxiliary fuel tanks from an aircraft. The experimental system consists of a simulative release mechanism, a s... In this paper, we propose a simulative experimental system in wind tunnel conditions lbr the separation of auxiliary fuel tanks from an aircraft. The experimental system consists of a simulative release mechanism, a scaled model and a pose measuring system. A new release mechanism was designed to ensure stability of the separation. Scaled models of the auxiliary fuel tank were designed and their moment of inertia was adjusted by installing counterweights inside the model. Pose param- eters of the scaled model were measured and calculated by a binocular vision system. Additionally, in order to achieve high brightness and high signal-to-noise ratio of the images in the dark enclosed wind tunnel, a new high-speed image acquisition method based on miniature self-emitting units was pre- sented. Accuracy of the pose measurement system and repeatability of the separation mechanism were verified in the laboratory. Results show that the position precision of the pose measurement system can reach 0.1 mm, the precision of the pitch and yaw angles is less than 0.1° and that of the roll angle can be up to 0.3°. Besides, repeatability errors of models" velocity and angular velocity controlled by the release mechanism remain small, satisfying the measurement requirements. Finally, experiments for the separation of auxiliary fuel tanks were conducted in the laboratory. 展开更多
关键词 Aircraft auxiliary equipmentBinocular vision Position and attitude mea-surement Release mechanism Simulation experiment
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SIMULATIVE INVESTIGATION OF GRAIN BOUNDARIES IN NiAl ALLOY
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作者 Liu, Zhenyun Huang, Baiyun Lin, Dongliang 《中国有色金属学会会刊:英文版》 EI CSCD 1999年第1期107-112,共6页
1INTRODUCTIONNiAlaloywithaB2structurehasahighmeltpoint(1638℃),lowdensity(5.86g/cm3),highmodule(294GPa)andhig... 1INTRODUCTIONNiAlaloywithaB2structurehasahighmeltpoint(1638℃),lowdensity(5.86g/cm3),highmodule(294GPa)andhighheatconductionco... 展开更多
关键词 NIAL GRAIN BOUNDARY structure COMPUTER simulation
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Simulative Design of Pad Structure for High Density Electronic Interconnection
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作者 MingyuLI ChunqingWANG 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2005年第1期63-67,共5页
Solder bridge is a serious defect of solder joints in ultrafine pitch electronic device assemblies. Generation of the solder bridge is closely related to forming process of the solder joints. A three-dimensional model... Solder bridge is a serious defect of solder joints in ultrafine pitch electronic device assemblies. Generation of the solder bridge is closely related to forming process of the solder joints. A three-dimensional model to simulate the formation of the solder bridge of QFP256 (quad flat packaging with 256 leads) is established and numerically calculated to predict the formation shape of the solder joints using surface evolver program. Based on the model, influence of structure of pads printed on circuit board on solder bridging is investigated. The results show that there is a critical solder volume Vc for solder joints to avoid solder bridging, and parameters of the pad size influence the critical solder volume. 展开更多
关键词 Solder bridge Fine pitch device Simulation Forming process
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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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基于SolidWorks Simulation的“双肺模型”智能宠物烘干箱设计与试验
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作者 钱涛 李颖 +1 位作者 巨潮哲 费利君 《包装工程》 北大核心 2026年第2期143-156,共14页
目的为了全面改进宠物烘干箱的烘干效率与功能体验,设计一款“双向流通、多面循环”的“双肺模型”智能宠物烘干箱。方法提出“双肺模型”风道设计原理与原则,并使用SolidWorks Simulation有限元分析工具进行腔体建模及风力循环系统模... 目的为了全面改进宠物烘干箱的烘干效率与功能体验,设计一款“双向流通、多面循环”的“双肺模型”智能宠物烘干箱。方法提出“双肺模型”风道设计原理与原则,并使用SolidWorks Simulation有限元分析工具进行腔体建模及风力循环系统模拟试验,根据风道试验结果推导出“双肺模型”宠物烘干箱风道设计的基本构型,再结合腔体试验结果与智能设计方法进行产品外观造型与功能结构设计。结果基于SolidWorks Simulation仿真试验的有限元分析表明,17.5°凸面腔体、底部进风“三进两出”的“双肺模型”,用于宠物烘干箱的风道设计,能够最大限度地利用风速流动,发挥其风道效能以提升烘干效率。结论功能分析表明,由于“双肺模型”风道设计改善了腔体内的风速流通和空气循环,在降低风速的情况下,依然能够保持较好的烘干效率,而风速的降低有助于提升宠物适应性及减轻噪声干扰。烘干效果测试及用户体验评价验证了“双肺模型”风道设计对本产品功能体验的全方位改进。 展开更多
关键词 SolidWorks Simulation 双肺模型 风道设计 宠物烘干箱 智能产品设计
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Machine learning-based investigation of uplift resistance in special-shaped shield tunnels using numerical finite element modeling 被引量:1
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作者 ZHANG Wengang YE Wenyu +2 位作者 SUN Weixin LIU Zhicheng LI Zhengchuan 《土木与环境工程学报(中英文)》 北大核心 2026年第1期1-13,共13页
The uplift resistance of the soil overlying shield tunnels significantly impacts their anti-floating stability.However,research on uplift resistance concerning special-shaped shield tunnels is limited.This study combi... The uplift resistance of the soil overlying shield tunnels significantly impacts their anti-floating stability.However,research on uplift resistance concerning special-shaped shield tunnels is limited.This study combines numerical simulation with machine learning techniques to explore this issue.It presents a summary of special-shaped tunnel geometries and introduces a shape coefficient.Through the finite element software,Plaxis3D,the study simulates six key parameters—shape coefficient,burial depth ratio,tunnel’s longest horizontal length,internal friction angle,cohesion,and soil submerged bulk density—that impact uplift resistance across different conditions.Employing XGBoost and ANN methods,the feature importance of each parameter was analyzed based on the numerical simulation results.The findings demonstrate that a tunnel shape more closely resembling a circle leads to reduced uplift resistance in the overlying soil,whereas other parameters exhibit the contrary effects.Furthermore,the study reveals a diminishing trend in the feature importance of buried depth ratio,internal friction angle,tunnel longest horizontal length,cohesion,soil submerged bulk density,and shape coefficient in influencing uplift resistance. 展开更多
关键词 special-shaped tunnel shield tunnel uplift resistance numerical simulation machine learning
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基于仿真的构架车间人工资源配置优化
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作者 满奕乐 舒云聪 +2 位作者 閤泰梓 沈继统 朱海平 《组合机床与自动化加工技术》 北大核心 2026年第1期186-192,200,共8页
在市场需求下降的背景下,生产多品种构架的复杂车间,向精益化管理和生产转型的需求迫切。人工资源的精确配置是该劳动密集型生产车间精益化转型的必要条件。提出了一种基于仿真的构架车间瓶颈工序识别与人工资源配置优化的方法,但该方... 在市场需求下降的背景下,生产多品种构架的复杂车间,向精益化管理和生产转型的需求迫切。人工资源的精确配置是该劳动密集型生产车间精益化转型的必要条件。提出了一种基于仿真的构架车间瓶颈工序识别与人工资源配置优化的方法,但该方法计算的订单生产期间人工资源配置方案,不能随着生产进度动态变化,存在一定局限性和优化空间,提出了一种基于仿真的构架车间人工资源配置优化的改进方法,该方法采取两阶段优化步骤。首先,基于Factory Simulation软件建立仿真模型,实现准确模拟现实车间的生产,采用模拟退火算法,设置目标为最小化所有工人池总派工人数和最小化订单总完工时间,计算得到人工资源配置一阶段方案;然后,构建启发式局部搜索优化算法,设置目标为最小化所有工人池总派工人数和最小化订单总完工时间变化量,计算得到人工资源配置二阶段方案;最后,对比各方案并确定最终的优化方案,并实际应用于制造企业。 展开更多
关键词 车间仿真 Factory Simulation 人工资源配置 两阶段算法 启发式算法
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Simulation of the Specific Contributions of Molecular Weight,Orientation Degree,and Crystallinity to the Tensile Mechanics of Polyethylene Fibers 被引量:1
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作者 Tian-Hao Yang Jing-Han Wu +4 位作者 Ming-Ming Ding Wen Zhai Ke Wang Qiang Fu Yang Liu 《Chinese Journal of Polymer Science》 2026年第2期560-575,I0018,共17页
UHMWPE fibers exhibit impressive modulus and strength,but they have not reached their theoretical limits.Researchers focus on molecular weight,orientation,and crystallinity of UHMWPE,yet their contributions to mechani... UHMWPE fibers exhibit impressive modulus and strength,but they have not reached their theoretical limits.Researchers focus on molecular weight,orientation,and crystallinity of UHMWPE,yet their contributions to mechanical properties are unclear.Molecular dynamics simulations are valuable but often limited by computational constraints.Our aim is to simulate higher molecular weights to better represent real UHMWPE fibers.We used Packmol and Polyply methodologies to construct PE systems,with Polyply reproducing more reasonable properties of UHMWPE fibers.Additionally,tensile simulations showed that orientation and crystallinity greatly impact Young's modulus more than molecular weight.Energy decomposition indicated that higher molecular weights lead to covalent bonds that can withstand more energy during stretching,thus increasing breaking strength.Combining simulations with machine learning,we found that orientation has the most significant impact on Young's modulus,contributing 60%,and molecular weight plays the most crucial role in determining the breaking strength,accounting for 65%.This study provides a theoretical basis and guidelines for enhancing UHMWPE's modulus and strength. 展开更多
关键词 Molecular dynamics simulation Polyethylene fiber Mechanical properties
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智能铆钉机系统数字化设计
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作者 凌雯雯 张东 +1 位作者 管佳燕 周丹 《科技与创新》 2026年第7期73-75,共3页
基于西门子Process Simulate(PS)平台,构建了集成ABB机器人、西门子S7-1200 PLC、安字铆钉枪及康耐视IS8200视觉系统的智能铆钉机数字孪生模型,重点研究其在西门子PS平台中的数字化建模与仿真验证方法。通过虚拟调试优化机器人路径与视... 基于西门子Process Simulate(PS)平台,构建了集成ABB机器人、西门子S7-1200 PLC、安字铆钉枪及康耐视IS8200视觉系统的智能铆钉机数字孪生模型,重点研究其在西门子PS平台中的数字化建模与仿真验证方法。通过虚拟调试优化机器人路径与视觉定位参数,结合PLC控制逻辑验证,实现铆钉作业的高效精准自动化生产。实际应用表明,可以有效缩短调试周期,系统铆接合格率达99.3%,铆接精度为±0.15 mm。 展开更多
关键词 数字化 智能铆钉机 机器人 西门子Process Simulate
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基于SolidWorks Flow Simulation的调节阀流场模拟与固有流量特性研究 被引量:1
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作者 李庆 范文瀚 《阀门》 2026年第2期212-218,共7页
调节阀开度与流量特性直接影响工业过程的控制精度,流量系数C_(v)是评价其流通性能的核心指标。以DN100、CL150、可调比R=50的单座调节阀为对象,采用SolidWorks Flow Simulation构建三维流场模型,对10%~100%开度区间的阀门开展数值模拟... 调节阀开度与流量特性直接影响工业过程的控制精度,流量系数C_(v)是评价其流通性能的核心指标。以DN100、CL150、可调比R=50的单座调节阀为对象,采用SolidWorks Flow Simulation构建三维流场模型,对10%~100%开度区间的阀门开展数值模拟,通过模型简化、节流区网格加密与规范边界条件获取速度场、压力场分布;网格独立性验证表明,中等密度网格的C_(v)计算偏差小于3%,满足工程精度。恒定压差下提取各开度下的稳态流量并计算C_(v),结果显示C_(v)呈等百分比增长,小开度增长平缓、中大开度增速加快,与节流机理一致;仿真结果与R=50理论等百分比曲线在多数开度区间吻合,验证了方法的可靠性。该仿真方法为调节阀设计优化、流量特性预测与性能评估提供了有效支撑。 展开更多
关键词 单座调节阀 流量系数C_(v) CFD数值模拟 等百分比特性 SolidWorks Flow Simulation
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A Rectifier Bridge Circuit Based on Metal-semiconductor-metal Fin Tunneling Diode for High-frequency Application
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作者 DENG Hengyang QIN Cuijie +5 位作者 HAO Shenglan FENG Guangdi ZHU Qiuxiang TIAN Bobo CHU Junhao DUAN Chungang 《无机材料学报》 北大核心 2026年第2期253-261,共9页
Tunneling diodes hold significant promise for future rectification in the terahertz(THz)and visible light spectra,thanks to their femtosecond-scale transit-time tunneling capabilities.In this work,TiN/ZnO/Pt fin tunne... Tunneling diodes hold significant promise for future rectification in the terahertz(THz)and visible light spectra,thanks to their femtosecond-scale transit-time tunneling capabilities.In this work,TiN/ZnO/Pt fin tunneling diodes(FTDs)with tunneling distances of 10 and 5 nm are fabricated,which demonstrate remarkable characteristics,including ultrahigh asymmetry(1.6×10^(4)for 10 nm device and 1.6×10^(3) for 5 nm device),high responsivity(25.3 V^(-1) for 10 nm device and 28.3 V^(-1) for 5 nm device)at zero bias,surpassing the thermal voltage limit of conventional Schottky diodes,and low turn-on voltage(V_(on))of approximately 100 mV for both devices,making them ideal for power conversion applications.Using technology computer-aided design(TCAD)simulations,the observed asymmetry in electronic transport is attributed to the transition between Fowler-Nordheim tunneling(FNT)and trap-assisted tunneling(TAT)under different biasing conditions,as illustrated by the corresponding energy band profiles.Furthermore,by integrating the FTDs,a rectifier bridge circuit is designed and exhibits full-wave rectification behavior,validated through SPICE simulations for THz-band operations.This advancement offers a highly efficient solution for THz-band energy conversion and effective detection applications. 展开更多
关键词 fin tunneling diode TCAD simulation rectifier bridge SPICE simulation
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Structural Influence on Radiation-induced Single-event Effects in SiC MOSFETs:Comparative Analysis of Planar and Trench Designs
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作者 HU Libin FENG Shaohui +7 位作者 SUI Chenglong WANG Chengjie CHEN Miao LU Peng YANG Can SHU Lei LU Jiang LI Bo 《原子能科学技术》 北大核心 2026年第3期745-751,共7页
The single-event susceptibility of three silicon carbide(SiC)metal-oxide-semiconductor field-effect transistor(MOSFET)power devices structures(planar,trench and double trench)is researched by the technology computer-a... The single-event susceptibility of three silicon carbide(SiC)metal-oxide-semiconductor field-effect transistor(MOSFET)power devices structures(planar,trench and double trench)is researched by the technology computer-aided design(TCAD)simulation.Comparative analysis of the heavy-ion irradiation effects on three device structures reveals distinct susceptibility characteristics.The gate oxide region is identified as the most sensitive position in planar devices,while trench and doubletrench structures exhibit no localized sensitive regions.Furthermore,the single-event susceptibility demonstrates strong depth dependence across all three structures,with enhanced vulnerability observed at greater ion penetration depths. 展开更多
关键词 SiC MOSFET single-event susceptibility different structures TCAD simulation
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Three-Dimensional Phase-Field Simulation of Grain Evolution in Physical Vapor Deposited Pure Ti Thin Film
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作者 Zhang Tongdi Ma Sa +2 位作者 Zhong Jing Yang Shenglan Zhang Lijun 《稀有金属材料与工程》 北大核心 2026年第5期1137-1145,共9页
Combining the phase-field method and the moving boundary method,a three-dimensional phase-field simulation was conducted for the growth and grain evolution of Ti films deposited by physical vapor deposition under diff... Combining the phase-field method and the moving boundary method,a three-dimensional phase-field simulation was conducted for the growth and grain evolution of Ti films deposited by physical vapor deposition under different deposition rates and grain orientations.The evolution of grain morphology and grain orientation was also taken into consideration.Simulation results show that at lower deposition rates,the surface of the formed Ti film exhibits a distinct oriented texture structure.The surface roughness of the Ti film is positively correlated with the grain misorientation.Moreover,the surface roughness obtained from the simulation is in good agreement with the experiment results. 展开更多
关键词 physical vapor deposition phase-field simulation grain evolution POLYCRYSTALLINE Ti thin film
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Design and Phase-Field Simulation of Core-Shell Microstructure in TiNb Binary Alloy
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作者 Chen Gongyu Cheng Li +2 位作者 Liu Zihan Zhang Gang Zhu Jiaming 《稀有金属材料与工程》 北大核心 2026年第5期1129-1136,共8页
The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the... The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the TiNb binary alloy system during spinodal decomposition,and then the formation mechanism of core-shell structure was revealed.In addition,the influences of initial temperature gradient,average temperature,and initial concentration distribution of the system on the core-shell structure were investigated.Results show that the initial concentration gradient is the key factor for forming the core-shell structure.Besides,larger initial temperature gradient and higher average temperature can promote the formation of core-shell structure,which can be stabilized by adjusting the initial concentration distribution of the Nb-rich region in TiNb binary alloy.As a theoretical basis,this research provides a novel and simple strategy for the preparation of TiNb-based alloys and other materials with peculiar core-shell structures and desirable mechanical and physical properties. 展开更多
关键词 TiNb binary alloy phase-field simulation spinodal decomposition core-shell structure microstructure evolution
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Study on the adsorptive denitrification performance of MIL-101(Cr) and its theoretical calculation
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作者 QIN Yue TANG Ke +3 位作者 HONG Xin WANG Han SHEN Shuo CHEN Jinghui 《燃料化学学报(中英文)》 北大核心 2026年第2期180-192,共13页
The adsorptive denitrification performance of MIL-101(Cr)-0.5 toward pyridine,aniline or quinoline in simulated fuels with basic nitrogen content of 1732μg/g was evaluated separately.Furthermore,the effects of adsorp... The adsorptive denitrification performance of MIL-101(Cr)-0.5 toward pyridine,aniline or quinoline in simulated fuels with basic nitrogen content of 1732μg/g was evaluated separately.Furthermore,the effects of adsorption temperature,adsorption time and adsorbent dosage on their adsorptive denitrification performance were systematically investigated.The experimental results demonstrated that under a fixed adsorbent dosage of 0.05 g and a simulated fuel volume of 10 mL,the optimal removal efficiency for aniline was achieved at 30℃ within 30 min,whereas higher temperatures and longer times(40℃and 40 min)were required for effective removal of pyridine and quinoline.Density Functional Theory(DFT)calculations were conducted via Materials Studio(MS)software to study the adsorptive denitrification mechanism of MIL-101(Cr)toward these three basic nitrogen-containing compounds.The simulation calculation results revealed that the interaction between pyridine and MIL-101(Cr)primarily involved coordination adsorption.In contrast,the interaction between aniline or quinoline and MIL-101(Cr)proceeded mainly through coordination,with additional contributions fromπ-complexation and hydrogen bonding.The overall adsorption strength order is pyridine>aniline>quinoline.During the adsorption process,pyridine and quinoline transfer electrons to the MIL-101(Cr)surface through the H→C→N→Cr^(3+)pathway,while aniline transfers electrons to the MIL-101(Cr)surface through various pathways,including N→Cr^(3+),N→C→Cr^(3+)and N→H→O.Furthermore,adsorption kinetics studies indicated that the adsorption processes for all three basic nitrogen-containing compounds followed the quasi second order kinetic models.The experimental results on the effect of benzene on the adsorptive denitrification performance of MIL-101(Cr)-0.5 demonstrated that benzene exerted a more significant impact on the adsorption of aniline and quinoline.Finally,the adsorbent was regenerated using ethanol washing.It was found that MIL-101(Cr)-0.5 retained stable denitrification performance after two regeneration cycles. 展开更多
关键词 MIL-101(Cr) adsorptive denitrification competitive adsorption regeneration performance simulation calculation
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