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Improving the reliability of classical molecular dynamics simulations in battery electrolyte design

Journal of Energy Chemistry 2025年第2期101卷 34-41,I0002页

作者： Xin He Yujie Zhang Haomiao Li Min Zhou Wei Wang Ruxing Wang Kai Jiang Kangli Wang State Key Laboratory of Advanced Electromagnetic Technology School of Electrical and Electronic EngineeringHuazhong University of Science and TechnologyWuhan 430074HubeiChina State Key Laboratory of Materials Processing and Die&Mould Technology College of Materials Science and EngineeringHuazhong University of Science and Technology Wuhan 430074HubeiChina Hubei Collaborative Innovation Center for High-efficiency Utilization of Solar Energy Hubei University of TechnologyWuhan 430068HubeiChina

Explorations into new electrolytes have highlighted the critical impact of solvation structure on battery performance,Classical molecular dynamics(CMD)using semi-empirical force fields has become an essential tool for simulating solvation ***,mainstream force fields often lack accuracy in describing strong ion-solvent interactions,causing disparities between CMD simulations and experimental *** some empirical methods have been employed in some of the studies to address this issue,their effectiveness has been *** CMD research,supported by quantum chemical calculations and experimental data,reveals that the solvation structure is influenced not only by the charge model but also by the polarization *** empirical approaches that focused solely on adjusting ion-solvent interaction strengths overlooked the importance of polarization *** on this insight,we propose integrating the Drude polarization model into mainstream force fields and verify its feasibility in carbonate,ether,and nitrile *** experimental results demonstrate that this approach significantly enhances the accuracy of CMD-simulated solvation *** work is expected to provide a more reliable CMD method for electrolyte design,shielding researchers from the pitfalls of erroneous simulation outcomes.

关键词： Electrolyte Classical molecular dynamics Solvation structure Simulations

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Elastic properties of Cu–6wt% Ag alloy wires for pulsed magnets investigated by ultrasonic techniques

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Chinese Physics B 2025年第2期34卷 90-95页

作者： Ziyu Li Tianyi Gu Wenqi Wei Yang Yuan Zhuo Wang Kangjian Luo Yupeng Pan Jianfeng Xie Shaozhe Zhang Tao Peng Lin Liu Qi Chen Xiaotao Han Yongkang Luo Liang Li Wuhan National High Magnetic Field Center Huazhong University of Science and TechnologyWuhan 430074China School of Physics Huazhong University of Science and TechnologyWuhan 430074China State Key Laboratory of Advanced Electromagnetic Engineering and Technology Huazhong University of Science and TechnologyWuhan 430074China School of Materials Science and Engineering State Key Laboratory for Materials Processing and Die&Mold TechnologyHuazhong University of Science and TechnologyWuhan 430074China

Conductor materials with good mechanical performance as well as high electrical and thermal conductivities are particularly important to break through the current bottle-neck limit(~ 100 T) of pulsed magnets. Here, we perform systematic studies on the elastic properties of the Cu–6wt% Ag alloy wire, which is a promising candidate material for the new-generation pulsed magnets, by employing two independent ultrasonic techniques, i.e., resonant ultrasound spectroscopy(RUS) and ultrasound pulse-echo experiments. Our RUS measurements manifest that the elastic properties of the Cu–6wt% Ag alloy wires can be improved by an electroplastic drawing procedure as compared with the conventional cold drawing. We also take this opportunity to test the availability of our newly-built ultrasound pulse-echo facility at the Wuhan National High Magnetic Field Center(WHMFC, China), and the results suggest that the elastic performance of the electroplastically-drawn Cu–6wt% Ag alloy wire remains excellent without anomalous softening under extreme conditions,e.g., in ultra-high magnetic field up to 50 T and nitrogen or helium cryogenic liquids.

关键词： high-field magnet Cu–Ag alloy ultrasonic techniques elastic constants

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Distribution network gray-start and emergency recovery strategy with pumped storage unit under a typhoon

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Global Energy Interconnection 2025年第1期8卷 121-133页

作者： Zhenguo Wang Hui Hou Chao Liu Shaohua Wang Zhengtian Li Xiangning Lin Te Li Research Institute of State Grid Zhejiang Electric Power Company Hangzhou 310014PR China School of Automation Wuhan University of TechnologyWuhan 430070PR China State Key Laboratory of Advanced Electromagnetic Engineering and Technology Huazhong University of Science and TechnologyWuhan 430074PR China

Typhoons can cause large-area blackouts or partial outages of distribution *** define a partial outage state in the distribution network as a gray state and propose a gray-start strategy and two-stage distribution network emergency recovery framework.A phase-space reconstruction and stacked integrated model for predicting wind and photovoltaic generation during typhoon disasters is proposed in the first *** provides guidance for second-stage post-disaster emergency recovery *** emergency recovery scheduling model is established in the second stage,and this model is supported by a thermal power-generating unit,mobile emergency generators,and distributed *** generation includes wind power generation,photovoltaics,fuel cells,***,we con-sider the gray-start based on the pumped storage unit to be an important first step in the emergency recovery *** model is val-idated on the improved IEEE 33 node system,which utilizes data from the 2022 super typhoon“Muifa”in Zhoushan,Zhejiang,*** indicate the superiority of a gray start with a pumped storage unit and the proposed emergency recovery strategy.

关键词： Wind and photovoltaic generation prediction Pumped storage unit Gray-start Distribution network Emergency recovery strategy

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Multi-objective Optimization Method of arc Armature Based on Anti-Transition 19th

Multi-objective Optimization Method of arc Armature Based on...

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19th Annual Conference of China Electrotechnical Society, ACCES 2024

作者： Gu, Anbang Xia, Shengguo Key Laboratory of Pulsed Power Technology Ministry of Education Huazhong University of Science and Technology Wuhan China State Key Laboratory of Advanced Electromagnetic Engineering and Technology Huazhong University of Science and Technology Wuhan China

ISBN: (纸本)9789819608966

Three optimization objectives are proposed to suppress transition during the armature launching process: the deviation rate of the current density distribution on the armature rail’s contact surface under steady-state current, the deviation rate of the current density distribution on the throat’s surface under steady-state current, and the deviation degree of the overfill contact pressure’s center of action. The NSGA-2 multi-objective optimization algorithm is used to optimize the armature structure. Firstly, the random response surface of the optimization objectives is established in a large range of armature geometrical parameters, and then the range of values of armature geometrical parameters is obtained according to the limitations of the armature structure in the actual problem, and then the optimization of the armature structure is carried out and the optimal compromise solution is screened out in this range. The simulation results show that the optimized armature, compared with the benchmark armature, has a more centered distribution of the overfill contact pressure on the contact surface, smaller current peaks on the contact surface of the armature rails during the launching process, and lower maximum temperature at the throat, which indicates that the optimized armature is more capable of suppressing the armature start-up phase transition, the magnetic saw of the throat transition, and the current falling-edge phase transition. © Beijing Paike Culture Commu. Co., Ltd. 2025.

关键词： Multiobjective optimization

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Manipulating Interfacial Stability via Preferential Absorption for Highly Stable and Safe 4.6 V LiCoO_(2) Cathode

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Nano-Micro Letters 2025年第8期17卷 95-110页

作者： Long Chen Xin He Yiqing Chen Youmin Hou Yujie Zhang Kangli Wang Xinping Ai Yuliang Cao Zhongxue Chen Key Laboratory of Hydraulic Machinery Transients Ministry of EducationSchool of Power and Mechanical EngineeringWuhan UniversityWuhan 430072People’s Republic of China State Key Laboratory of Advanced Electromagnetic Technology School of Electrical and Electronic EngineeringHuazhong University of Science and TechnologyWuhan 430074People’s Republic of China Hubei Key Laboratory of Electrochemical Power Sources College of Chemistry and Molecular SciencesWuhan UniversityWuhan 430072People’s Republic of China

Elevating the upper cutoff voltage to 4.6 V could effec-tively increase the reversible capacity ofLiCoO_(2)(LCO)cathode,whereas the irreversible structural transition,unstable electrode/electrolyte interface and potentially induced safety hazards severely hinder its industrial *** a robust cathode/electrolyte interface film by electrolyte engineer-ing is one of the efficient approaches to boost the performance of high-voltage LCO(HV-LCO);however,the elusive interfacial chemistry poses substantial challenges to the rational design of highly compatible ***,we propose a novel electrolyte design strategy and screen proper solvents based on two factors:highest occupied molecular orbital energy level and LCO absorption ***(2,2,2-trifluoroethyl)phosphate is determined as the optimal solvent,whose low defluorination energy barrier significantly promotes the construction of LiF-rich cathode/electrolyte interface layer on the surface of LCO,thereby eventually suppresses the phase transition and enhancesLi+diffusion *** rationally designed electrolyte endows graphite||HV-LCO pouch cells with long cycle life(85.3%capacity retention after 700 cycles),wide-temperature adaptability(-60–80℃)and high safety(pass nail penetration).This work provides new insights into the electrolyte screening and rational design to constructing stable interface for high-energy lithium-ion batteries.

关键词： Electrolyte design LiF-rich interface Wide-temperature High-safe 4.6 V LCO

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A Real-Time Junction Temperature Estimating Method for SiC MOSFET Based on the Turn-on Drain-Source Current Oscillation

A Real-Time Junction Temperature Estimating Method for SiC M...

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International Conference of Electrical, Electronic and Networked Energy Systems, EENES 2024

作者： Yang, Fengming Liang, Lin Zhang, Ziyang State Key Laboratory of Advanced Electromagnetic Technology Power Electronics and Energy Management Key Laboratory Ministry of Education of China School of Electrical and Electronic Engineering Huazhong University of Science and Technology Wuhan430070 China

ISBN: (纸本)9789819618514

Online junction temperature (Tj) measurement is critical for SiC MOSFET reliability evaluation health management and life prediction. In order to make the tradeoff between availability, simplicity, as well as accuracy, this article demonstrates a real-time junction temperature estimating method by selecting the current oscillation peak of drain source (Ioscpeak) during turn-on transient as a temperature sensitive electrical parameter (TSEP). The theoretical and simulation analysis results show that the Ioscpeak is available to be a TSEP. Then, the model of Ioscpeak and Tj is derived through fitting curve based the experimental results. The voltage and load current dependency of proposed method are also discussed. The experimental results demonstrate that the bus voltage level has a negligible influence to the relationship between the Ioscpeak and the Tj, the value of Ioscpeak is increasing with the increment of current level at the specific temperature. The sensitivity of proposed method has a satisfactory performance of junction temperature estimation. The estimation circuit of proposed method has a simplicity hardware with low cost and easy to be implanted with gate drive of SiC MOSFET. © Beijing Paike Culture Commu. Co., Ltd. 2025.

关键词： MOSFET devices

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Electrostatic Interference Suppression Method for Magnetic Flux Measurement in the Formation Area of HFRC Device 11th

Electrostatic Interference Suppression Method for Magnetic F...

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11th Frontier Academic Forum of Electrical engineering, FAFEE 2024

作者： Zhang, Yujun Chen, Zhipeng Rao, Bo Yang, Yong Li, Zhuolong Zhao, Yanhao Wang, Liye State Key Laboratory of Advanced Electromagnetic Technology International Joint Research Laboratory of Magnetic Confinement Fusion and Plasma Physics School of Electrical and Electronic Engineering Huazhong University of Science and Technology Wuhan430074 China

ISBN: (纸本)9789819788231

This paper proposes a comprehensive solution to address the interference challenges encountered during magnetic flux loop measurement of flux in Field-Reversed Configuration fusion devices. The high-frequency magnetic field generated by the high voltage discharge coil induces a high voltage in the magnetic flux loop circuit. However, the accompanying electrostatic interference significantly affects the measurement accuracy of magnetic flux. Although traditional isolation, shielding, and grounding techniques can mitigate electrostatic interference to some extent, their implementation is challenging, and they have stringent requirements for the grounding system. In view of this, this study added an electrostatic shielding layer between the magnetic flux loop and the discharge coil. Experimental results show that this measure effectively suppresses electrostatic interference. Simultaneously, this study utilizes a differential measurement method to further reduce electrostatic interference. Experiments show that the flux loop can accurately reflect the flux value, and the correlation coefficient between the measured flux and the theoretical value is 0.935. These improvements not only significantly enhance the accuracy and reliability of magnetic flux measurements but also provide more precise data support for magnetic diagostics research and experiments in Field-Reversed Configuration fusion devices. © Beijing Paike Culture Commu. Co., Ltd. 2025.

关键词： Magnetic shielding

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Experimental Study on Electrode Erosion Process with High Current Vacuum Arc 19th

Experimental Study on Electrode Erosion Process with High Cu...

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19th Annual Conference of China Electrotechnical Society, ACCES 2024

作者： Peng, Ruochen Li, Yilong Zhao, Yuan Chen, Lixue Ya, Penglong Lyu, Tianmao State Key Laboratory of Advanced Electromagnetic Engineering and Technology Huazhong University of Science & Technology Wuhan China School of Electrical and Electronic Engineering Huazhong University of Science & Technology Wuhan China Key Laboratory of Pulsed Power Technology Huazhong University of Science & Technology Ministry of Education China

ISBN: (纸本)9789819613861

During the breaking process, the erosion of anode contact greatly affects the result of high current vacuum breaking. Therefore, it is important to study the forming and transforming process of anode modes for improving the breaking performance and life of vacuum circuit breaker. The cup axial magnetic field (AMF) contacts is widely used in vacuum trigger switch and vacuum on-load tap changer. In order to study the vacuum arc characteristics and anode mode change of cup AMF contacts under high current density, the 40 mm diameter cup AMF contacts with six slots is observed and studied by experimental means under the gap distance of 6 mm and 10 mm. In this paper, the arc current-voltage characteristics, vacuum arc shape and surface erosion of contact are analyzed. The analysis results show that the larger the contact gap, the larger the arc voltage, the smaller the arc anode mode threshold current and the more serious the contact erosion degree. © Beijing Paike Culture Commu. Co., Ltd. 2025.

关键词： Anodes

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Analysis of DOA Estimation Under Mixed-resolution Based on Conformal Arrays 16

Analysis of DOA Estimation Under Mixed-resolution Based on C...

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16th International Conference on Signal Processing Systems, ICSPS 2024

作者： Gu, Shenao Guo, Muran Key Laboratory of Advanced Marine Communication and Information Technology AVIC United Technology Center for Electromagnetic Spectrum Collaborative Detection and Intelligent cognition College of Information and Communication Engineering Harbin Engineering University Harbin150001 China

ISBN: (纸本)9781510689251

Conformal antennas typically utilize short dipoles to reduce space occupation. Conformal antenna arrays are essentially polarization-sensitive arrays with broad applicability and enhanced anti-interference capabilities. However, a practical issue that needs to be addressed is the high power consumption and resource usage resulting from high-resolution analog-to-digital converters (ADCs). In this paper, we introduce the mixed-resolution quantization method into the conformal array to alleviate the pressure on resource transmission by partially reducing the quantization resolution. The receive signal model is constructed in this paper, and a rank-deficient MUSIC algorithm suitable for the proposed scheme is developed. The direction of arrival (DOA) parameters, as well as the polarization parameters, are estimated with considerable accuracy. The power consumption and system cost are effectively reduced with a small sacrifice on parameter estimation accuracy. Numerical simulations validate the feasibility of proposed mixed-quantized conformal array. © 2025 SPIE.

关键词： Direction of arrival

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Analysis of Three-Phase Short-Circuit Electromotive Force on Six Vacuum-Break Parallel-Type Generator Outlet Circuit Breakers 11th

Analysis of Three-Phase Short-Circuit Electromotive Force on...

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11th Frontier Academic Forum of Electrical engineering, FAFEE 2024

作者： Sun, Likang Chen, Lixue He, Yinghui Zou, Xinyang Li, Yingzhuo State Key Laboratory of Advanced Electromagnetic Technology Huazhong University of Science and Technology Wuhan430074 China Key Laboratory of Pulsed Power Technology Ministry of Education School of Electrical and Electronic Engineering Huazhong University of Science and Technology Wuhan430074 China

ISBN: (纸本)9789819787791

Currently, vacuum type generator outlet circuit breaker dominates the large-capacity generator circuit breaker. However, due to the large short-circuit current at the generator outlet end, the generator outlet circuit breaker needs to bear a great short-circuit electromotive force, thus affecting its dynamic stability. In this paper, COMSOL is used to construct a model of a six vacuum break parallel type outlet circuit breaker for the protection of a megawatt-level generator. Based on Maxwell's electromagnetic theory, the transient calculation of three-phase short-circuit electromotive force under different phases is carried out for the generator outlet vacuum circuit breaker, and the great values of short-circuit electromotive force under different phases are obtained for each phase. The results show that the main component of the short-circuit electromotive force is the electromotive force in the y-direction. And based on the maximum transient electromotive force, the influence of the material on the short-circuit electromotive force is studied, which provides theoretical support for the analysis of the short-circuit electromotive force of the generator outlet circuit breaker and the optimized design of the shell. © Beijing Paike Culture Commu. Co., Ltd. 2025.

关键词： Electric shielding

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