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Unconventional energetics of small vacancy clusters in BCC high-entropy alloy Nb_(0.75)ZrTiV_(0.5)

Journal of Materials Science & Technology 2023年第15期146卷 61-71页

作者： Tan Shi Xi Qiu Yundi Zhou Sixin Lyu Jing Li Dan Sun Qing Peng Yong Xin Chenyang Lu School of Nuclear Science and Technology Xi’an Jiaotong UniversityXi’an 710049China Nuclear Power Institute of China Chengdu 610213China State Key Laboratory of Nonlinear Mechanics Institute of MechanicsChinese Academy of SciencesBeijing 100190China School of Engineering Sciences University of Chinese Academy of SciencesBeijing 100049China State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China

The stability of small vacancy clusters including divacancy,trivacancy and tetravacancy has been studied in body-centered cubic high-entropy alloy Nb_(0.75)ZrTiV_(0.5) in structures of random solid solution and short-range order by first-principles calculations and molecular dynamics *** from conventional body-centered cubic metals,the tightly bound configurations have a lower structural stability and are not preferred energetically in the studied high-entropy *** of vacancy configurations leads to vacancy-atom exchanges that favor less compact *** formation energy of small vacancy clusters is much smaller than its constituent elements of Nb and V due to the large structural adjustment induced by severe local lattice *** difference in local lattice distortion and elemental arrangement in the vacancy neighborhood leads to significant site-to-site variation in vacancy cluster energy and *** formation energy has a strong correlation with the local energy state of the vacancy configuration and the extent of structural *** to random solid solution,the structure of short-range order has a higher stability for the most compact cluster configurations and tends to have higher vacancy cluster formation *** to classical molecular dynamics simulations of cluster diffusion at high temperature,the studied high-entropy alloy has a higher probability of cluster dissociation compared to Nb and *** unconventional energetics of small vacancy clusters is expected to have a profound impact on their generation,diffusion,dissociation,coalescence,as well as the defect microstructure evolution during irradiation.

关键词： Refractory high-entropy alloys Small vacancy clusters First-principles calculations Defect energetics Radiation defect evolution

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Operando modeling and measurements:powerful tools for revealing the mechanism of alkali carbonate-based sorbents for CO_(2)capture in real conditions

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Frontiers in Energy 2023年第3期17卷 380-389页

作者： Tianyi CAI Mengshi WANG Xiaoping CHEN Ye WU Jiliang MA Wu ZHOU School of Energy and Power Engineering Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power EngineeringUniversity of Shanghai for Science and TechnologyShanghai 200093China Key Laboratory of Energy Thermal Conversion and Control of the Ministry of Education School of Energy and EnvironmentSoutheast UniversityNanjing 210096China Key Laboratory of Thermal Control of Electronic Equipment and Advanced Combustion Laboratory of the Ministry of Industry and Information Technology School of Energy and Power EngineeringNanjing University of Science and TechnologyNanjing 210094China

Alkalicarbonate-based sorbents(ACSs),including Na_(2)CO_(3)-and K2CO_(3)-based sorbents,are promising for CO_(2)***,the complex sorbent components and operation conditions lead to the versatile kinetics of CO_(2)sorption on these *** paper proposed that operando modeling and measurements are powerful tools to understand the mechanism of sorbents in real operating conditions,facilitating the sorbent development,reactor design,and operation parameter *** reviewed the theoretical simulation achievements during the development of *** elucidated the findings obtained by utilizing density functional theory(DFT)calculations,ab initio molecular dynamics(AIMD)simulations,and classical molecular dynamics(CMD)simulations as *** hygroscopicity of sorbent and the humidity of gas flow are crucial to shifting the carbonation reaction from the gas-solid mode to the gas-liquid mode,boosting the ***,it briefly introduced a machine learning(ML)approach as a promising method to aid sorbent ***,it demonstrated a conceptual compact operando measurement system in order to understand the behavior of ACSs in the real operation *** proposed measurement system includes a micro fluidizedbed(MFB)reactor for kinetic analysis,a multi-camera sub-system for 3D particle movement tracking,and a combined Raman and IR sub-system for solid/gas components and temperature *** is believed that this system is useful to evaluate the real-time sorbent performance,validating the theoretical prediction and promoting the industrial scale-up of ACSs for CO_(2)capture.

关键词： CO_(2)capture carbonation theoretical modeling operando techniques reaction visualization

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Experimental investigation on separation characteristics of axial cyclone separator

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Science China(Technological Sciences) 2023年第11期66卷 3231-3244页

作者： WANG JinZhi WANG YeChun HAN JinZai XU Qiang XIE XiangDong PAN YingXiu GUO LieJin State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China Xinjin Weihua Institute of Clean Energy Research Foshan 528216China Aero Engine Corporation of China(AECC)Shenyang Engine Research Institute Shenyang 110015China

Axial cyclone separator has been widely applied in chemical production as an efficient gas-liquid separation *** this study,a new axial cyclone separator with integrated swirler and exhaust pipe is designed to achieve the development goal of compact structure for advanced engine,and the distribution characteristics of swirling flow patterns as well as the variation in separation characteristics are investigated under slug flow *** on flow visualizations and fluctuation characteristics of pressure signals,three typical flow patterns,namely,slug flow,swirling intermittent flow,and swirling annular flow,in the horizontal swirling separation flow are *** is investigated how the inlet conditions affect the separation characteristic *** separation purity and extreme points of the air separation efficiency are independent of the inlet liquid flow *** separation pressure drop is quadratically related to the inlet air flow *** on the drift-flux model and other methods,the prediction methods for the air separation efficiency and pressure drop are proposed,and the prediction accuracy is within±20%,which may provide instructions for the practical application of axial cyclone separator.

关键词： axial cyclone separation gas-liquid two-phase flow flow pattern in the swirling flow separation characteristics

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Porous fixed-bed photoreactor for boosting C-C coupling in photocatalytic CO_(2)reduction

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eScience 2022年第4期2卷 428-437页

作者： Shengjie Bai Haoran Qiu Mengmeng Song Guiwei He Feng Wang Liejin Guo International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong UniversityXi'anShaanxi710049China

Solar-driven CO_(2)conversion to chemical fuels in an aqueous solution is restricted not only by photocatalysts but also by mass ***,a regulatable three-phase interface on a porous fixed-bed is constructed for efficient C-C coupling in photocatalytic CO_(2)*** photocatalytic results show that∼90%selectivity towards C^(2+)products is obtained by a Cu/Cd_(0.5)Zn_(0.5)S photocatalyst,with a yield of 6.54μmol/h(an irradiation area of 0.785 cm^(2)),while only 0.94μmol/h(an irradiation area of 19.625 cm^(2))is achieved with a commonly used suspension photocatalytic *** find that under the same CO_(2)feed rate,the local CO_(2)concentration in this porous fixed-bed photoreactor is obviously higher than in the suspension *** larger local CO_(2)coverage derived from a higher CO_(2)supply and aggregation enhances the C-C coupling,thereby generating more C^(2+).Even an observable three-phase interface on the porous fixed-bed can be regulated by adjusting the CO_(2)supply,for which the optimal gas inlet rate is 5-10 sccm.

关键词： Photocatalytic CO_(2)reduction Cu/Cd_(0.5)Zn_(0.5)S Porous fixed-bed Three-phase interface C^(2+)chemical fuel

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Spatio-Temporal flow Field Prediction of Turbulent Boundary Layer Based on PINN

Spatio-Temporal Flow Field Prediction of Turbulent Boundary ...

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Vortex Workshop on New Progress in Vortex Identification and Applications, VW 2023

作者： Zhu, Jiahao Song, Yang Dong, Xiangrui School of Energy and Power Engineering University of Shanghai for Science and Technology Shanghai200093 China Shanghai Key Laboratory of Multiphase Flow and Heat Transfer for Power Engineering Shanghai200093 China

ISBN: (纸本)9789819786077

Based on the PINN neural network for the study of turbulence, it can solve the nonlinear equations without grid, which is different from the CFD method. This paper mainly uses the PINN method to study the temporal and spatial prediction of the turbulent boundary layer flow field, and in the absence of label values, based on the known flow field information, the unknown information is reasonably predicted by solving the N-S equation. The comparison of PINN prediction results with numerical simulation and experimental results verifies the feasibility of applying PINN to the study of turbulent boundary layer. © The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2024.

关键词： Computational fluid dynamics

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Experimental investigation of nano-particle deposited wick Structure's heat transfer characteristics

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International Journal of Advanced Nuclear Reactor Design and Technology 2022年第4期4卷 196-204页

作者： Han, Ruiyu Wang, Zetao Guo, Kailun Wang, Chenglong Zhang, Dalin Tian, Wenxi Qiu, Suizheng Su, Guanghui School of Nuclear Science and Technology Shaanxi Key Laboratory of Advanced Nuclear Energy and Technology State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China

Recently, nanotechnology attracts more and more attention in heat transfer system. Many studies have shown that using nanofluid as the working fluid can improve the thermal performance of the heat pipe. In this paper, the preliminary effort of applying nano-surface engineering on the heat pipe wick to fabricate the nano-structured wick structure has been carried out. Experimental investigation has been performed to determine the effect of the heat source power, mesh aperture and the wick surface structure on the total thermal resistance of the wick structure. When the heat source power increased from 20 W to 30 W, then to 50 W, the evaporation resistance decreases 25.9% and 13.7% respectively, while the conduction resistance increases 24.8% at first and then decreases 9.5%. The evaporation resistance is less with than without the wick structure, and it increases with the increase of mesh aperture. When the mesh aperture increases from 75 μm to 150 μm, then to 460 μm, the evaporation resistance increases 1.9% and 1.7% respectively. Whereas, the wick structure, as well as the mesh aperture have slight influence on the conduction resistance. The experimental results suggest that the nano structure on the surface can efficiently decrease the evaporation resistance but increase the conduction resistance at the same time. Compared to the wick structure with smooth surface, the evaporation resistance of nano-surface deposited by 0.01% TiO2 and 0.02% TiO2 has decreased 4.3% and 15.5%, respectively. This study provides a reference for the preparation of the heat pipe with greater performance in the future. © 2022 Xi'an Jiaotong University

关键词： Wick structure Nano structure Thermal resistance

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Experimental Investigation on Hydrophobic Behavior of Carbon Spheres Coated Surface Made from Microplastics

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Journal of Renewable Materials 2021年第12期9卷 2159-2174页

作者： Peng Liu Bin Bai Cui Wang Yunan Chen Zhiwei Ge Wenwen Wei Hui Jin State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an710049China

In this paper,a simple method to plate a hydrophobic coating on the inner surface of a small-scaled tube was proposed,where the coating consisted of carbon *** common plastics polystyrene,polycarbonate and polyethylene were used as the feedstocks to be processed in supercritical water in a quartz tubular *** reaction,the contact angle of droplet on the inner surface of the quartz tube was turned out to be over 100°,significantly larger than that of the blank tube 54°.When processing polystyrene in the 750℃ supercritical water for 10 min,the largest contact angle was obtained,up to 145°.Besides,in this sample,the size of carbon spheres was smallest,about 2.09μm diameter on *** comparing among different types of plastics under the same condition,the contact angle of surface made from PC took the dominant position over that of PS and PE,124°,100°and 90°,*** the sample made from PC,carbon spheres adhered into a mountainlike shape,producing a binary geometric ***,this research could be helpful in the discussion of plastic waste management and carbon spheres fabrication with low cost.

关键词： Plastic wastes hydrothermal method carbon spheres supercritical water hydrophobicity

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Heat Transfer Enhancement of Supercritical Carbon Dioxide and Liquid Lead Bismuth Eutectic Compact Heat Exchanger 20

Heat Transfer Enhancement of Supercritical Carbon Dioxide an...

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20th International Topical Meeting on Nuclear Reactor Thermal Hydraulics, NURETH 2023

作者： Liu, Shuhan Liu, Ji'an Liu, Qingjiang Lei, Xianliang State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University No.28 West Xianning Road Xi'an710049 China

ISBN: (纸本)9780894487934

Lead cooled fast reactor (LFR) is the fourth generation reactor system with great development potential;Supercritical carbon dioxide (S-CO2) Brayton cycle is also considered as the most promising energy system due to its high efficiency and compactness, good flexibility. Their combination is undoubtly considered as one of the most ideal power cycles. In this union system, the intermediate heat exchanger plays a key role in the entire power system. Considering the thermo-physical properties and heat transfer behaviors in both S-CO2 and liquid lead bismuth eutectic (LBE) are significantly different, an asymmetric compact coupled heat exchanger learning from Honeycomb structure is proposed. Then the effect of Reynolds number on the coupling heat transfer is discussed. It is found that the thermal resistance mainly exists in the cold side. In order to enhance the heat transfer in the S-CO2 side, wave channels are used on the cold side. The results show that the wave channels can significantly improve the field synergy of the fluid near the wall;With the increase of wave amplitude, the heat transfer coefficient and the friction factor of the cold side channel increases;The comprehensive heat transfer coefficient PEC is used to evaluate the heat transfer behavior. When the PEC number is the largest, the overall heat transfer coefficient of the heat exchanger is 1.56~1.81 of the straight channel in the range of Re=86700~145000. © 2023 Proceedings of the 20th International Topical Meeting on Nuclear Reactor Thermal Hydraulics, NURETH 2023. All rights reserved.

关键词： Brayton cycle

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Preliminary study on FROBA-SCO2 with transient models and its application for Reactivity Initiated Accident and loss of flow accident

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International Journal of Advanced Nuclear Reactor Design and Technology 2022年第3期4卷 101-108页

作者： Yang, T.A. Zhang, K. Yang, H.K. Tian, W.X. Qiu, S.Z. School of Nuclear Science and Technology Shaanxi Key Laboratory of Advanced Nuclear Energy and Technology State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China

As a coolant enabling the reactor with a high efficiency and low volume, the supercritical CO2 has becoming a hot topic nowadays. However, the fuel rod behaviors under accidents are not studied thoroughly, especially the interaction between the coolant and the cladding. With the previous study of fuel rod behaviors analysis of supercritical CO2 cooled nuclear reactor under steady state operation, transient state models are implemented and the upgraded code can be used to predict the fuel rod behaviors under RIA and LOFA. After the comparation of the calculation results with SACOS-SCO2, the tendency and numerical value are close, so the accuracy is warranted. The upgraded FROBA-SCO2 is used to predict the fuel rod behaviors under RIA and LOFA conditions and the results indicate that the maximum temperature of cladding and fuel is within safety limits. © 2022

关键词： Coolants

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A universal charge-compensating strategy for high-energy-density pseudocapacitors

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Journal of Energy Chemistry 2023年第3期78卷 333-339,I0010页

作者： Baoyi Yin Jiaqi Zhang Yuanhui Su Yu Huan Liang Hao Chen Wang Xun Hu Tao Wei School of Material Science and Engineering University of Jinan336 Nanxinzhuang West RoadJinan 250022ShandongChina School of Microelectronics Dalian University of TechnologyDalian 116024LiaoningChina Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering School of Energy and Power EngineeringUniversity of Shanghai for Science and TechnologyShanghai 200093China State Key Laboratory of ASIC and Systems School of MicroelectronicsFudan UniversityShanghai 200433China

For pseudocapacitive electrode materials(PseEMs),despite much progress having been made in achieving both high power density and high energy density,a general strategy to guide the enhancement of intrinsic capacitive properties of PseEMs remains ***,we demonstrate a universal chargecompensating strategy to improve the charge-storage capability of PseEMs intrinsically:ⅰ) in the electrolyte with anion as charge carriers(such as OH-),reducing the multivalent cations of PseEMs into lower valences could create more reversible low-to-high valence redox cou ples to promote the intercalation of the anions;ⅱ) in the electrolytes with cation as charge carriers(such as H^(+),Li^(+),Na^(+)),oxidizing the multivalent cations of PseEMs into higher valences could introduce more reversible high-to-low valence redox couples to promote the intercalation of the *** we demonstrated that the improved intrinsic charge-storage capability for PseEMs originates from the increased Faradaic charge storage sites.

关键词： Supercapacitors Universal charge-compensating strategy Changed valence state Increased Faradaic charge storage sites

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