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Review of machine learning tight-binding models:Route to accurate and scalable electronic simulations
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作者 Jijie Zou Zhanghao Zhouyin +1 位作者 Shishir Kumar Pandey Qiangqiang Gu 《Chinese Physics B》 2026年第1期2-12,共11页
The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-ti... The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-time scenarios.This review begins with a concise overview of traditional tight-binding(TB)models,including both(semi-)empirical and first-principles approaches,establishing the foundation for understanding MLTB developments.We then present a systematic classification of existing MLTB methodologies,grouped into two major categories:direct prediction of TB Hamiltonian elements and inference of empirical parameters.A comparative analysis with other ML-based electronic structure models is also provided,highlighting the advancement of MLTB approaches.Finally,we explore the emerging MLTB application ecosystem,highlighting how the integration of MLTB models with a diverse suite of post-processing tools from linear-scaling solvers to quantum transport frameworks and molecular dynamics interfaces is essential for tackling complex scientific problems across different domains.The continued advancement of this integrated paradigm promises to accelerate materials discovery and open new frontiers in the predictive simulation of complex quantum phenomena. 展开更多
关键词 machine learning tight-binding model electronic simulations
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SIMULATION IN THERMAL DESIGN FOR ELECTRONIC CONTROL UNIT OF ELECTRONIC UNIT PUMP 被引量:1
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作者 XU Quankui ZHU Keqing ZHUO Bin MAO Xiaojian WANG Junxi 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2008年第5期1-7,共7页
The high working junction temperature of power component is the most common reason of its failure. So the thermal design is of vital importance in electronic control unit (ECU) design. By means of circuit simulation... The high working junction temperature of power component is the most common reason of its failure. So the thermal design is of vital importance in electronic control unit (ECU) design. By means of circuit simulation, the thermal design of ECU for electronic unit pump (EUP) fuel system is applied. The power dissipation model of each power component in the ECU is created and simulated. According to the analyses of simulation results, the factors which affect the power dissipation of components are analyzed. Then the ways for reducing the power dissipation of power components are carried out. The power dissipation of power components at different engine state is calculated and analyzed. The maximal power dissipation of each power component in all possible engine state is also carried out based on these simulations. A cooling system is designed based on these studies. The tests show that the maximum total power dissipation of ECU drops from 43.2 W to 33.84 W after these simulations and optimizations. These applications of simulations in thermal design of ECU can greatly increase the quality of the design, save the design cost and shorten design time 展开更多
关键词 Diesel engine electronic unit pump electronic control unit Circuit simulation Thermal design
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Ideological and Political Teaching Case Design and Research Based on the Course Simulation Electronic Technology Experiment
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作者 Meiyi Chen Wei Yang +2 位作者 Xin Hao Shunyu Long Pengfei Zhong 《Journal of Contemporary Educational Research》 2023年第2期37-45,共9页
As critical measures to educate and cultivate people’s morality,“Ideology and Politics of Course”has gradually become the focus in actual undergraduate education research in universities.Targeting the single ideolo... As critical measures to educate and cultivate people’s morality,“Ideology and Politics of Course”has gradually become the focus in actual undergraduate education research in universities.Targeting the single ideological and political education mode and students’lack of interest in experimental courses,this paper,through various links,including pre-class preview,in-class teaching,and after-class data analysis,takes the common emitter single tube amplifier experiment as an example to organically integrate the excavated ideological and political elements with practical operation and carry out teaching case design and practice;realize the improvement of students’learning initiative and problem-analysis ability;and achieve the purpose of cultivating people throughout the whole process and in a comprehensive direction. 展开更多
关键词 Ideology and politics simulation electronic technology experiment Teaching design
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Evaluating electron induced degradation of triple-junction solar cell by numerical simulation 被引量:2
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作者 LI Jun-wei WANG Zu-jun +3 位作者 SHI Cheng-ying XUE Yuan-yuan NING Hao XU Rui 《Optoelectronics Letters》 EI 2021年第5期276-282,共7页
In this paper,the degradation related parameters of GaInP/GaAs/Ge triple-junction solar cell induced by electron irradiation are carried out by numerical simulation.The degradation results of short-circuit current,ope... In this paper,the degradation related parameters of GaInP/GaAs/Ge triple-junction solar cell induced by electron irradiation are carried out by numerical simulation.The degradation results of short-circuit current,open-circuit voltage,maximum power have been investigated,and the degradation mechanism is analyzed.Combining the degradation results,the degradation of normalized parameters versus displacement damage dose is obtained.The results show that the degradation increases with the increase of the electron fluence and electron irradiation energy.The degradation normalized related parameters versus displacement damage dose can be characterized by a special curve that is not affected by the type of irradiated particles.By calculating the annual displacement damage dose and the on-orbit operation time of special space orbit,the degradation of normalized parameters can be obtained with the fitting curve in the simulation.The study will provide an approach to estimate the radiation damage of triple-junction solar cell induced by space particle irradiation. 展开更多
关键词 Evaluating electron induced degradation of triple-junction solar cell by numerical simulation
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MODEL-BASED DEVELOPMENT OF REAL-TIME SOFTWARE SYSTEM FOR ELECTRONIC UNIT PUMP SYSTEM 被引量:1
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作者 YU Shitao YANG Shiwei YANG Lin GONG Yuanming ZHUO Bin 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2007年第1期25-30,共6页
A real-time operating system (RTOS), also named OS, is designed based on the hardware platform of MC68376, and is implemented in the electronic control system for unit pump in diesel engine. A parallel and time-base... A real-time operating system (RTOS), also named OS, is designed based on the hardware platform of MC68376, and is implemented in the electronic control system for unit pump in diesel engine. A parallel and time-based task division method is introduced and the multi-task software architecture is built in the software system for electronic unit pump (EUP) system. The V-model software development process is used to control algorithm of each task. The simulation results of the hardware-in-the-loop simulation system (HILSS) and the engine experimental results show that the OS is an efficient real-time kernel, and can meet the real-time demands of EUP system; The built multi-task software system is real-time, determinate and reliable. V-model development is a good development process of control algorithms for EUP system, the control precision of control system can be ensured, and the development cycle and cost are also decreased. 展开更多
关键词 Real-time operating system (RTOS) Multi-task V-model development Hardware-in-the-loop simulation system(HILSS) electronic unit pump (EUP)
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Effects of Internal Relaxation under Inplane Strain on the Structural,Electronic and Optical Properties of Perovskite BaZrO3
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作者 秦国强 PENG Xiaojun +4 位作者 ZHANG Guanglei WU Hongya WANG Caihui YU Gang FU Hua 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2017年第2期397-402,共6页
We present the specific ab-initio calculations that detail the variations of perovskite BaZrO3 caused by in-plane strain. Specifically, the internal relaxation, which was not captured in the widely used biaxial strain... We present the specific ab-initio calculations that detail the variations of perovskite BaZrO3 caused by in-plane strain. Specifically, the internal relaxation, which was not captured in the widely used biaxial strain model, was included in a complementary manner to lattice relaxation. Density functional theory as well as a hybrid functional method based on a plane wave basis set was employed to calculate the lattice structure, elastic constants, electronic properties and optical properties of perovskite BaZrO3. The lattice parameter c exhibited a clear linear dependence on the imposed in-plane strain, but the Poisson's ratio caused by internal relaxation was smaller than the elastic deformation, indicating an "inelastic" or "plastic" relaxation manner caused by the introduction of internal relaxation. As a result, the related electronic and optical properties of perovskite BaZrO3 were also strongly affected by the in-plane strain, which revealed an effective way to adjust the properties of perovskite BaZrO3 via internal relaxation. 展开更多
关键词 thin films internal relaxation in-plane strain perovskite electronic band structure computer simulations optical properties
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Simulation of nonlinear behavior in an electron cyclotron resonance plasma
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作者 刘明海 胡希伟 +2 位作者 吴汉明 邬钦崇 俞国扬 《Plasma Science and Technology》 SCIE EI CAS CSCD 2000年第3期265-271,共7页
Some nonlinear behavior in electron cyclotron resonance plasma was investigated using a two-dimension hybrid-mode with self-consistent microwave absorption. The saturation,oscillations of plasma parameters (plasma den... Some nonlinear behavior in electron cyclotron resonance plasma was investigated using a two-dimension hybrid-mode with self-consistent microwave absorption. The saturation,oscillations of plasma parameters (plasma density, potential, electron temperature) versus operating conditions (pressure, power) are discussed. Our simulation results are consistent qualitatively with many experimental measurements. 展开更多
关键词 HIGH simulation of nonlinear behavior in an electron cyclotron resonance plasma
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A New Simulation of Track Structure of Low-Energy Electrons in Liquid Water:Considering the Condensed-Phase Effect on Electron Elastic Scattering
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作者 刘玮 谭震宇 C.Champion 《Chinese Physics Letters》 SCIE CAS CSCD 2016年第9期35-38,共4页
A new Monte Carlo simulation of the track structure of low-energy electrons (〈10keV) in liquid water is presented. The feature of the simulation is taken into consideration of the condensed-phase effect of liquid w... A new Monte Carlo simulation of the track structure of low-energy electrons (〈10keV) in liquid water is presented. The feature of the simulation is taken into consideration of the condensed-phase effect of liquid water on electron elastic scattering with the use of the Champion model, while the dielectric response formalism incorporating the optical-data model developed by Emfietzoglou et al. is applied for calculating the electron inelastic scattering. The spatial distributions of energy deposition and inelastic scattering events of low-energy electrons with different primary energies in liquid water are calculated and compared with other theoretical evaluations. The present work shows that the condensed-phase effect of liquid water on electron elastic scattering may be of the influence on the fraction of absorbed energy and distribution of inelastic scattering events at lower primary energies, which also indicate potential effects on the DNA damage induced by low-energy electrons. 展开更多
关键词 of as in A New simulation of Track Structure of Low-Energy Electrons in Liquid Water:Considering the Condensed-Phase Effect on Electron Elastic Scattering for CCPI on is
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Compact RF linear accelerator for electron beam irradiation applications at PBP-CMU Electron Linac Laboratory
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作者 Monchai Jitvisate Pittaya Apiwattanakul +3 位作者 Noppadol Kangrang Jatuporn Saisut Chitrlada Thongbai Sakhorn Rimjaem 《Nuclear Science and Techniques》 2025年第4期45-58,共14页
A 4 MeV RF linear accelerator for electron beam irradiation applications has been developed at the PBP-CMU Electron Linac Laboratory,Thailand.The system has been reengineered using a decommissioned medical linear acce... A 4 MeV RF linear accelerator for electron beam irradiation applications has been developed at the PBP-CMU Electron Linac Laboratory,Thailand.The system has been reengineered using a decommissioned medical linear accelerator.The main components include a thermionic DC electron gun,an RF linear accelerator,a beam diagnostic chamber,and a beam exit window for electron beam irradiation.Therefore,reengineering must be performed based on the characteristics of the electron beam and its dynamics throughout the system.In this study,the electron beam current density emitted from the cathode was calculated based on the thermionic emission theory,and the result was used to produce the electron beam distribution in the gun using CST Studio Suite^(■)software.The properties of the electron beam and its acceleration in the linear accelerator and downstream diagnostic section were studied using the ASTRA electron beam dynamics simulation code,with the aim of producing an electron beam with an average energy of 4 MeV at the linear accelerator exit.The transverse beam profile and electron deposition dose in the ambient environment were calculated using Geant4 Monte Carlo simulation software to estimate the beam performance for the irradiation experiments.The parameters studied can be used as guidelines for machine operation and future experimental plans. 展开更多
关键词 Thermionic electron gun RF linear accelerator Electron dynamics simulation Monte Carlo simulation Electron beam irradiation Electron beam processing Deposition dose
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Review of Real-time Simulation of Power Electronics 被引量:8
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作者 Fei Li Yichao Wang +4 位作者 Fan Wu Yao Huang Yang Liu Xing Zhang Mingyao Ma 《Journal of Modern Power Systems and Clean Energy》 SCIE EI CSCD 2020年第4期796-808,共13页
Real-time simulation of power electronics has been recognized by the industry as an effective tool for developing power electronic devices and systems.Since there is no energy transfer during the course of the usage,r... Real-time simulation of power electronics has been recognized by the industry as an effective tool for developing power electronic devices and systems.Since there is no energy transfer during the course of the usage,real-time simulation has a lot of advantages in the process of development and experimentation.From the perspective of real-time simulation,this paper focuses on the main problems in modeling accuracy,system bandwidth and stability,limitations on communication interface and energy interface,and the cost of platform construction.Finally,we provide further research directions. 展开更多
关键词 Hardware-in-the-loop simulation modeling and simulation of power electronics correction method power interface algorithm numerical method
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Selective linear etching of monolayer black phosphorus using electron beams 被引量:1
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作者 Yuhao Pan Bao Lei +3 位作者 Jingsi Qiao Zhixin Hu Wu Zhou Wei Ji 《Chinese Physics B》 SCIE EI CAS CSCD 2020年第8期400-406,共7页
Point and line defects are of vital importance to the physical and chemical properties of certain two-dimensional(2D)materials.Although electron beams have been demonstrated to be capable of creating single-and multi-... Point and line defects are of vital importance to the physical and chemical properties of certain two-dimensional(2D)materials.Although electron beams have been demonstrated to be capable of creating single-and multi-atom defects in 2D materials,the products are often random and difficult to predict without theoretical inputs.In this study,the thermal motion of atoms and electron incident angle were additionally considered to study the vacancy evolution in a black phosphorus(BP)monolayer by using an improved first-principles molecular dynamics method.The P atoms in monolayer BP tend to be struck away one by one under an electron beam within the displacement threshold energy range of 8.55-8.79 eV,which ultimately induces the formation of a zigzag-like chain vacancy.The chain vacancy is a thermodynamically metastable state and is difficult to obtain by conventional synthesis methods because the vacancy formation energy of 0.79 eV/edge atom is higher than the typical energy in monolayer BP.Covalent-like quasi-bonds and a charge density wave are formed along the chain vacancy,exhibiting rich electronic properties.This work proposes a theoretical protocol for simulating a complete elastic collision process of electron beams with 2D layers and will facilitate the establishment of detailed theoretical guidelines for experiments on 2D material etching using focused high-energy electron beams. 展开更多
关键词 electronic beam radiation simulation black phosphorus chain vacancy
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High Heat Flux Testing of B_4C/Cu and SiC/Cu Functionally Graded Materials Simulated by Laser and Electron Beam 被引量:4
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作者 刘翔 谌继明 +3 位作者 张斧 许增裕 葛昌纯 李江涛 《Plasma Science and Technology》 SCIE EI CAS CSCD 2002年第1期1171-1176,共6页
B4C, SiC and C, Cu functionally graded-materials (FGMs) have been developed by plasma spraying and hot pressing. Their high-heat flux properties have been investigated by high energy laser and electron beam for the si... B4C, SiC and C, Cu functionally graded-materials (FGMs) have been developed by plasma spraying and hot pressing. Their high-heat flux properties have been investigated by high energy laser and electron beam for the simulation of plasma disruption process of the future fusion reactors, And a study on eroded products of B4C/Cu FGM under transient thermal load of electron beam was performed. In the experiment, SEM and EDS analysis indicated that B4C and SiC were decomposed, carbon was preferentially evaporated under high thermal load, and a part of Si and Cu were melted, in addition, the splash of melted metal and the particle emission of brittle destruction were also found. Different erosive behaviors of carbon-based materials (CBMs) caused by laser and electron beam were also discussed. 展开更多
关键词 SIC High Heat Flux Testing of B4C/Cu and SiC/Cu Functionally Graded Materials Simulated by Laser and Electron Beam CU
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Simulation model for electron irradiated IGZO thin film transistors 被引量:2
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作者 G K Dayananda C Shantharama Rai +1 位作者 A Jayarama Hyun Jae Kim 《Journal of Semiconductors》 EI CAS CSCD 2018年第2期17-21,共5页
An efficient drain current simulation model for the electron irradiation effect on the electrical parameters of amorphous In–Ga–Zn–O(IGZO) thin-film transistors is developed. The model is developed based on the s... An efficient drain current simulation model for the electron irradiation effect on the electrical parameters of amorphous In–Ga–Zn–O(IGZO) thin-film transistors is developed. The model is developed based on the specifications such as gate capacitance, channel length, channel width, flat band voltage etc. Electrical parameters of un-irradiated IGZO samples were simulated and compared with the experimental parameters and 1 kGy electron irradiated parameters. The effect of electron irradiation on the IGZO sample was analysed by developing a mathematical model. 展开更多
关键词 simulation model IGZO TFT electron irradiation
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Monte Carlo simulation of prompt γ-ray spectra from depleted uranium under D-T neutron irradiation and electron recoil spectra in a liquid scintillator detector 被引量:1
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作者 秦建国 赖财锋 +3 位作者 刘荣 朱通华 张信威 叶邦角 《Chinese Physics C》 SCIE CAS CSCD 2016年第3期115-119,共5页
To overcome the problem of inefficient computing time and unreliable results in MCNP5 calculation, a two-step method is adopted to calculate the energy deposition of prompt γ-rays in detectors for depleted uranium sp... To overcome the problem of inefficient computing time and unreliable results in MCNP5 calculation, a two-step method is adopted to calculate the energy deposition of prompt γ-rays in detectors for depleted uranium spherical shells under D-T neutron irradiation. In the first step, the γ-ray spectrum for energy below 7 MeV is calculated by MCNP5 code; secondly, the electron recoil spectrum in a BC501 A liquid scintillator detector is simulated based on EGSnrc Monte Carlo Code with the γ-ray spectrum from the first step as input. The comparison of calculated results with experimental ones shows that the simulations agree well with experiment in the energy region 0.4–3 MeV for the prompt γ-ray spectrum and below 4 MeVee for the electron recoil spectrum. The reliability of the two-step method in this work is validated. 展开更多
关键词 Monte Carlo simulation depleted uranium prompt γ-ray energy spectrum recoil electron spectrum
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Beam distribution reconstruction simulation for electron beam probe
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作者 冯永春 毛瑞士 +9 位作者 李朋 康新才 尹炎 刘通 游尧尧 陈玉聪 赵铁成 徐治国 王彦瑜 原有进 《Chinese Physics C》 SCIE CAS CSCD 2017年第7期129-141,共13页
An electron beam probe(EBP) is a detector which makes use of a low-intensity and low-energy electron beam to measure the transverse profile, bunch shape, beam neutralization and beam wake field of an intense beam wi... An electron beam probe(EBP) is a detector which makes use of a low-intensity and low-energy electron beam to measure the transverse profile, bunch shape, beam neutralization and beam wake field of an intense beam with small dimensions. While it can be applied to many aspects, we limit our analysis to beam distribution reconstruction.This kind of detector is almost non-interceptive for all of the beam and does not disturb the machine environment.In this paper, we present the theoretical aspects behind this technique for beam distribution measurement and some simulation results of the detector involved. First, a method to obtain a parallel electron beam is introduced and a simulation code is developed. An EBP as a profile monitor for dense beams is then simulated using the fast scan method for various target beam profiles, including KV distribution, waterbag distribution, parabolic distribution,Gaussian distribution and halo distribution. Profile reconstruction from the deflected electron beam trajectory is implemented and compared with the actual profile, and the expected agreement is achieved. Furthermore, as well as fast scan, a slow scan, i.e. step-by-step scan, is considered, which lowers the requirement for hardware, i.e. Radio Frequency deflector. We calculate the three-dimensional electric field of a Gaussian distribution and simulate the electron motion in this field. In addition, a fast scan along the target beam direction and slow scan across the beam are also presented, and can provide a measurement of longitudinal distribution as well as transverse profile simultaneously. As an example, simulation results for the China Accelerator Driven Sub-critical System(CADS) and High Intensity Heavy Ion Accelerator Facility(HIAF) are given. Finally, a potential system design for an EBP is described. 展开更多
关键词 reconstruction beam distribution electron beam probe simulation
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