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A deep learning interatomic potential suitable for simulating radiation damage in bulk tungsten

Tungsten 2024年第2期6卷 304-322页

作者： Chang-Jie Ding Ya-Wei Lei Xiao-yang Wang Xiao-Lin Li Xiang-yan Li yan-ge zhang Yi-Chun Xu Chang-Song Liu Xue-Bang Wu Key Laboratory of Materials Physics Institute of Solid State PhysicsHFIPSChinese Academy of SciencesHefei 230031China Science Island University of Science and Technology of ChinaHefei 230026China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China

So far, it has been a challenge for existing interatomic potentials to accurately describe a wide range of physical properties and maintain reasonable efficiency. In this work, we develop an interatomic potential for simulating radiation damage in body-centered cubic tungsten by employing deep potential, a neural network-based deep learning model for representing the potential energy surface. The resulting potential predicts a variety of physical properties consistent with first-principles calculations, including phonon spectrum, thermal expansion, generalized stacking fault energies, energetics of free surfaces, point defects, vacancy clusters, and prismatic dislocation loops. Specifically, we investigated the elasticity-related properties of prismatic dislocation loops, i.e., their dipole tensors, relaxation volumes, and elastic interaction energies. This potential is found to predict the maximal elastic interaction energy between two 1/2 loops better than previous potentials, with a relative error of only 7.6%. The predicted threshold displacement energies are in reasonable agreement with experimental results, with an average of 128 eV. The efficiency of the present potential is also comparable to the tabulated gaussian approximation potentials and modified embedded atom method potentials, meanwhile, can be further accelerated by graphical processing units. Extensive benchmark tests indicate that this potential has a relatively good balance between accuracy, transferability, and efficiency.

关键词： Machine learning Deep learning Interatomic potential Radiation damage Tungsten

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Multi-blade rubbing characteristics of the shaft-disk-blade-casing system with large rotation

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Applied Mathematics and Mechanics(English Edition) 2024年第1期45卷 111-136页

作者： Zhiyuan WU Linchuan ZHAO Han yan ge yan Ao CHEN Wenming zhang State Key Laboratory of Mechanical System and Vibration Shanghai Jiao Tong UniversityShanghai 200240China Shanghai Institute of Aerospace Systems Engineering Shanghai 201108China

Blade rubbing faults cause detrimental impact on the operation of aeroengines. Most of the existing studies on blade rubbing in the shaft-disk-blade-casing(SDBC) system have overlooked the elastic deformation of the blade, while some only consider the whirl of the rotor, neglecting its spin. To address these limitations, this paper proposes a dynamic model with large rotation for the SDBC system. The model incorporates the spin and whirl of the rotor, enabling the realistic reproduction of multiblade rubbing faults. To verify the accuracy of the SDBC model with large rotation and demonstrate its capability to effectively consider the rotational effects such as the centrifugal stiffening and gyroscopic effects, the natural characteristics and dynamic responses of the proposed model are compared with those obtained from reported research and experimental results. Furthermore, the effects of the rotating speed, contact stiffness,and blade number on the dynamic characteristics of the SDBC system with multi-blade rubbing are investigated. The results indicate that the phase angle between the rotor deflection and the unbalance excitation force increases with the increasing rotating speed,which significantly influences the rubbing penetration of each blade. The natural frequency of the SDBC system with rubbing constrain can be observed in the acceleration response of the casing and the torsional response of the shaft, and the frequency is related to the contact stiffness. Moreover, the vibration amplitude increases significantly with the product of the blade number under rubbing, and the rotating frequency approaches the natural frequency of the SDBC system. The proposed model can provide valuable insight for the fault diagnosis of rubbing in bladed rotating machinery.

关键词： shaft-disk-blade-casing(SDBC) large rotation spin and whirl multi-blade rubbing rotational effect

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Performance Study of the MPC based on BPNN Prediction Model in Thermal Management System of Battery Electric Vehicles

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Journal of Thermal Science 2024年第06期33卷 2318-2335页

作者： HE Lian'ge JING Haodong zhang yan LI Pengpai GU Zihan Key Laboratory of Advanced Manufacture Technology for Automobile Parts(Chongqing University of Technology) Ministry of Education Ningbo Shenglong Group Co. Ltd. Chongqing Tsingshan Industrial Co. Ltd.

In this paper,a model predictive control(MPC) based on back propagation neural network(BPNN)prediction model was proposed for compressor speed control of air conditioning system(ACS) and battery thermal management system(BTMS) coupling system of battery electric vehicle(BEV).In order to solve the problem of high cooling energy consumption and inferior thermal comfort in the cabin of the battery electric vehicle thermal management system(BEVTMS) during summer time,this paper combines the respective superiorities of artificial neural network(ANN) predictive modeling and MPC,and creatively combines the two methods and uses them in the control of ***,based on ANN and heat transfer theory,BPNN prediction model,ACS and BTMS coupling system were established and ***,a mathematical method of MPC was established to control the speed of the ***,the state parameters of the coupled system were predicted using a BPNN prediction model,and the predicted values were passed to the MPC,thus achieving accurate control of the compressor speed using the ***,the effects of PID control and MPC based on BPNN prediction model on thermal comfort of cabin and compressor energy consumption at different ambient temperatures were compared in simulation under New European Driving Cycle(NEDC) *** results showed for the constructed BPNN prediction model predicted and tested values of the selected parameters the mean squared error(MSE) ranged from 2.498% to 8.969%,mean absolute percentage error(MAPE) ranged from 4.197% to 8.986%,and mean absolute error(MAE) ranged from 3.202% to 8.476%.At ambient temperatures of 25℃,35℃ and 45℃,the MPC based on the BPNN prediction model reduced the cumulative discomfort time in the cabin by 100 s,39 s and 19 s,respectively,compared with the PID *** three NEDC conditions,the energy consumption is reduced by 1.82%,2.35% and 3.48%,*** the ambient temperature was 35℃,the MPC based on BPNN pre

关键词： air conditioning system back propagation neural network battery electric vehicle battery thermal management system model predictive control

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Surgical treatment of malignant biliary papillomatosis invading adjacent organs: A case report

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World Journal of Clinical Cases 2019年第2期7卷 253-259页

作者： yang Xiao Juan Zhao Hong Wu Kun-Lin Xie Ying Wan Xue-Wen Xu yan-ge zhang Department of Plastic and Burn Surgery West China Hospital of Sichuan University Department of Liver Surgery/Liver Transplantation West China Hospital of Sichuan University Department of Pathology West China Hospital of Sichuan University

BACKGROUND Biliary papillomatosis(BP) is a rare disease characterized by multiple papillary adenomas in the intrahepatic and extrahepatic biliary tree and has a high risk of malignant transformation. Early diagnosis and treatment for BP are challenges, as it spreads along the biliary tract. A radical resection with an adequate resection margin is advocated in patients with malignant *** SUMMARY We report a case of BP with malignant transformation in a 52-year-old female patient who presented with emaciation, severe malnutrition, and a T-tube for biliary drainage that was placed for almost 2 years at the time she visited us. The enhanced magnetic resonance imaging of the upper abdomen revealed a neoplasm with a diameter of 15 cm located in the gallbladder area surrounding the common bile duct where a drainage tube was placed. It was the first case with malignant BP involving multiple organs and the abdominal wall and receiving a radical resection. Plastic surgeons helped close the incision by transferring the rectus muscle and external oblique muscle flap. A diagnosis of papillary carcinoma with diffuse malignant papillomatosis of the biliary duct was *** postoperative course was uneventful and she was asymptomatic and in good physical condition at 35 mo postoperatively with appropriate *** Aggressive surgical treatment with appropriate chemotherapy is advocated for patients with malignant BP even if multiple organ invasion is present.

关键词： Biliary papillomatosis Papillary carcinoma Surgery Case report

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Interaction of radiation-induced defects with tungsten grain boundaries at across scales: a short review

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Tungsten 2020年第1期2卷 15-33页

作者： Xiang‑yan Li yan‑ge zhang Yi‑Chun Xu Xue‑Bang Wu Xiang‑Shan Kong Xian‑Ping Wang Qian‑Feng Fang Chang‑Song Liu Key Laboratory of Materials Physics Institute of Solid State PhysicsChinese Academy of SciencesHefei 230031China Key Laboratory for Liquid‑Solid Structural Evolution and Processing of Materials(Ministry of Education) Shandong UniversityJinan 250061China

As promising candidates for plasma-facing materials,tungsten-based materials suffer the irradiation of high-energy neutrons in addition to the hydrogen isotopes and helium irradiation and the high-thermal ***-produced defects,***-interstitial atoms(SIAs)and vacancies(Vs),can induce the hardening and embrittlement of tungsten,meanwhile enhancing the retention of hydrogen isotopes and helium in *** the grain size of materials to introduce a high density of defect sinks,e.g.,grain boundaries(GBs)prevalent in nano-/ultrafine-crystalline materials,was demonstrated to be an effective approach for mitigating irradiation damage in *** this paper,we reviewed the theoretical advances in exploring radiation-resistance of nano-structured tungsten at across *** was concentrated on the results of molecular dynamics,molecular statics,and the object kinetic Monte Carlo simulations on the fundamental interaction of the radiation-created Vs and SIAs with the *** mechanisms include GB-promoted V/SIA migration and SIA-V recombination,interstitial-emission induced annihilation,coupling of the V migration close to the GB with the SIA motion within the GB,and interstitial reflection by the locally dense GB *** proposed the remaining scientific issues on the defect-GB interactions at across scales and their relation to experimental *** prospected the possible trends for simulating the radiation damage accumulation and healing processes in nano-structured tungsten in terms of the development of the across-scale computational techniques and efficiency of the GB-enhanced tolerance of tungsten to irradiation under complex in-service conditions.

关键词： Nano-crystalline Grain boundary Radiation-resistance Self-healing Radiation damage Tungsten

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Experimental Study on Soot Suppression of Acetylene Diffusion Flame by Acoustic-Excited Oscillation in Rijke-Type Burner

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Journal of Thermal Science 2024年第1期33卷 235-248页

作者： ZHU Yibin GUO Hui SUO yan'ge WU Minle YE yanghui LI Guoneng zhang Zhiguo School of Mechanical and Energy Engineering Zhejiang University of Science and TechnologyHangzhou 310023China

This work reports that the flame oscillation induced by acoustic excitation can effectively suppress soot generation in Rijke-type *** the acoustic frequency is close to the natural frequency of the burner system,it can produce resonance resulting in intense oscillation of the *** relationship between the soot suppression efficiency and the acoustic field of standing wave at different flame positions is *** with that under self-excited oscillation,when there is external forced acoustic force introduced to the flame,oscillation combustion occurred in a lager zone in the glass *** fundamental cause of different soot suppression efficiency at different positions is that the standing wave acoustic field causes the particles to move at different speeds in different positions of the glass *** axial particle velocity difference results in the formation of acoustic vortexes and the change of the flame *** high particle velocity causes the air in the glass tube to turn into the turbulent condition and make the flame temperature *** results show that the surface growth rate of soot is reduced,while the oxidation rate of soot is enhanced,which result in the soot suppression under acoustic *** study can provide some reference for the practical application of oscillate combustion in soot suppression.

关键词： soot suppression acetylene diffusion flame acoustic-excited oscillation standing wave

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A real-time calibration method based on time-to-digital converter for accelerator timing system

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Nuclear Science and Techniques 2024年第9期35卷 127-140页

作者： Qi-Hao Duan Liang ge yan-Hao Jia Jie-Yu Zhu Wei zhang Institute of modern physics Chinese Academy of SciencesLanzhou 730000China University of Chinese Academy of Sciences Beijing 100049China

The high-intensity heavy-ion accelerator facility(HIAF)is a scientific research facility complex composed of multiple cas-cade accelerators of different types,which pose a scheduling problem for devices distributed over a certain range of 2 km,involving over a hundred *** white rabbit,a technology-enhancing Gigabit Ethernet,has shown the capability of scheduling distributed timing devices but still faces the challenge of obtaining real-time synchronization calibration param-eters with high *** study presents a calibration system based on a time-to-digital converter implemented on an ARM-based System-on-Chip(SoC).The system consists of four multi-sample delay lines,a bubble-proof encoder,an edge controller for managing data from different channels,and a highly effective calibration module that benefits from the SoC *** performance was evaluated with an average RMS precision of 5.51 ps by measuring the time intervals from 0 to 24,000 ps with 120,000 data for every *** design presented in this study refines the calibration precision of the HIAF timing *** eliminates the errors caused by manual calibration without efficiency loss and provides data support for fault *** can also be easily tailored or ported to other devices for specific applications and provides more space for developing timing systems for particle accelerators,such as white rabbits on HIAF.

关键词： HIAF White rabbit Calibration system Time-to-digital converter(TDC)

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Asymmetrically coordinated main group atomic In-S_(1)N_(3)interface sites for promoting electrochemical CO_(2)reduction

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Nano Research 2024年第6期17卷 5011-5021页

作者： yan Gao Jinlong ge Jingqiao zhang Ting Cao Zhiyi Sun Wensheng yan Yu Wang Jie Lin Wenxing Chen Zheng Liu Anhui Provincial Engineering Laboratory of Silicon-based Materials Bengbu UniversityBengbu 233030China State Key Laboratory of Environmental Criteria and Risk Assessment Chinese Research Academy of Environmental SciencesBeijing 100012China SEPA Key Laboratory of Eco-Industry Chinese Research Academy of Environmental SciencesBeijing 100012China Ningbo Institute of Materials Technology and Engineering Chinese Academy of ScienceNingbo 315201China Energy&Catalysis Center School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China National Synchrotron Radiation Laboratory University of Science and Technology of ChinaHefei 230029China Shanghai Synchrotron Radiation Facilities Shanghai Institute of Applied PhysicsChinese Academy of ScienceShanghai 201204China

Designing catalysts with highly active,selectivity,and stability for electrocatalytic CO_(2)to formate is currently a severe ***,we developed an electronic structure engineering on carbon nano frameworks embedded with nitrogen and sulfur asymmetrically dual-coordinated indium active sites toward the efficient electrocatalytic CO_(2)reduction *** expected,atomically dispersed In-based catalysts with In-S_(1)N_(3)atomic interface with asymmetrically coordinated exhibited high efficiency for CO_(2)reduction reaction(CO_(2)RR)to *** achieved a maximum Faradaic efficiency(FE)of 94.3%towards formate generation at−0.8 V *** hydrogen electrode(RHE),outperforming that of catalysts with In-S2N2 and In-N4 atomic *** at a potential of−1.10 V ***,In-S_(1)N_(3)achieves an impressive Faradaic efficiency of 93.7%in flow *** catalytic performance of In-S_(1)N_(3)sites was confirmed to be enhanced through in-situ X-ray absorption near-edge structure(XANES)measurements under electrochemical *** discovery provides the guidance for performance regulation of main group metal catalysts toward CO_(2)RR at atomic scale.

关键词： indium single-site catalyst main group metal asymmetrical coordination CO_(2)reduction reaction structure-activity relationship

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An ultra-thin bolt tension sensor and online monitoring system:For application in hydropower plant unit

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Frontiers of Structural and Civil Engineering 2024年第9期18卷 1388-1400页

作者： Shaoquan zhang yanke TAN Hanbin ge Qilin zhang Department of Civil Engineering Meijo UniversityNagoya 4688502Japan College of Civil Engineering Tongji UniversityShanghai 200092China

The condition of bolted connections significantly affects the structural ***,conventional bolt tension sensors fail to provide precise measurements due to their bulky size or inadequate *** study employs the piezoresistive effect of crystalline silicon material to fabricate an ultrathin *** sensor exhibits a linear relationship between pressure and voltage,an exceptional stability at varying temperatures,and a superior resistance to corrosion,making it adaptable and user-friendly for applications of high-strength bolt tension monitoring.A monitoring system,incorporating the proposed sensor,has also been *** system provides real-time display of bolt tension and enables the assessment of sensor and structural conditions,including bolt loosening or component *** efficacy of the proposed sensor and monitoring system was validated through a project carried out at the Xiluodu Hydropower *** to the results,the sensor and online monitoring system effectively gauged and proficiently conveyed and stored bolt tension *** addition,correlations were created between bolt tensions and essential unit parameters,such as water head,active power,and pressures at vital points,facilitating anomaly detection and early warning.

关键词： ultra-thin sensor high-strength bolt tension online monitoring system anomaly alarm hydro-generator units

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Essential Players in Cooperative Games with Graph Communication Structure

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Journal of the Operations Research Society of China 2024年第1期12卷 93-108页

作者： Guang zhang Jing-Yi ge Business School University of Shanghai for Science and TechnologyShanghai200093China

A class of cooperative games with graph communication structure is studied in this paper by considering some important players,namely essential *** the assumption that only connected coalitions containing essential players are able to cooperate and obtain their worths,the class of graph games with essential players is proposed as well as an allocation *** proposed value follows the spirit of the Myerson value defined by applying the Shapley value on a modified *** properties,feasible component efficiency,the inessential component property,and fairness,are provided to fully characterize this value,where feasible component efficiency and fairness follows the same ideas of component efficiency and fairness for classical graph games,and the inessential component property says that the total payoffs of the players in a non-feasible component is ***,some computational aspects of the proposed value and comparisons with disjunctive permission value for games with permission structure are also studied,respectively.

关键词： Cooperative game Graph structure Essential player Myerson value Computation Permission structure

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