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Concept, configuration, and application of on-board nanogrids for use in electric vehicles

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Science china.Technological Sciences) 2024年第7期67卷 2053-2073页

作者： ZHAO Bing li yong WU fang WAN JiangHu CAI JiuQing YANG HaiTao liu fang College of Electrical and Information Engineering Hunan UniversityChangsha 410082China Wuhan Second Ship Design and Research institute Wuhan 430000China School of Automation Central South UniversityChangsha 410083China

Against the backdrop of increasingly serious climate change, researchers are attempting to extend macroscale carbon reduction research to smaller scales. With the rapid development and widespread application of electric vehicles(EVs), an effective approach for carbon reduction based on EVs has the potential to be developed. To coordinate and manage the EV platform in diverse application scenarios, the concept of an on-board nanogrid(OBNG), in which a nanogrid is combined with the EV, is proposed and defined, and the characteristics summarized. A configuration that includes a physical layer with the on-board hardware system;an information layer for logical control, energy management, and communication coordination;and an application layer that can cope with different working environments is proposed. A detailed introduction to the basic architecture and management mode of each layer is provided along with information concerning the relevant technologies for coordinated operation. New ideas and approaches to improve the existing performance are proposed, and finally, combined with a background of smart and low-carbon cities, major application scenarios are envisioned.

关键词： electric vehicle nanogrid energy management hybrid energy storage power electronics converter

Polyimide covalent organic frameworks as efficient solid-state li^(+) electrolytes

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Science china.Chemistry 2024年第5期67卷 1647-1652页

作者： Xu liu Shi Wang Siqi liu Chengfang liu Xiangchun {4. Jian Wu Dazhi {4. Shihao Xu Chongyang liu Wen-yong Lai State Key Laboratory of Organic Electronics and Information Displays(SKLOEID) Institute of Advanced Materials(IAM)School of Chemistry and Life SciencesNanjing University of Posts&TelecommunicationsNanjing 210023China

Covalent organic frameworks(COFs) are attractive porous crystalline materials with extremely high stability, easy functionalization, and open channels, which are expected to be unique ion conductors/transporters in lithium ion batteries(liBs). Despite recent advances, low ion conductivity and low transference number, resulting in low charging/discharging rate, low energy density, and short battery life, are the main issues that limit their direct application as solid electrolytes in liBs. Here, we designed and synthesized a novel polyimide COF, namely, TAPA-PDI-COF, with abundant C=O groups, which has been successfully employed as high-performance solid electrolytes by doping TAPA-PDI-COF and succinonitrile(SN). Both the well-defined nanochannels of COFs and SN confined in the well-aligned channels restricted the free migration of anions, while C=O on COFs and CN groups of SN enhanced li^(+) transport, thus achieving a high ion conductivity of 0.102 m S cm^(-1)at 80 °C and a high lithium-ion transference number of 0.855 at room temperature. According to density functional theory(DFT)calculations, li-ion migration mainly adopted in-plane transport rather than the axial pathway, which may be due to the shorter hopping distances in the planar pathway. The results suggest an effective strategy for the design and development of all-solidstate ionic conductors for achieving high-performance liBs.

关键词： lithium ion batteries(liBs) covalent organic frameworks(COFs) solid-state ion conductors solid-state electrolytes ion conductivity

Experimental study of the influencing factors and mechanisms of the pressure-reduction and augmented injection effect by nanoparticles in ultra-low permeability reservoirs

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Petroleum Science 2024年第3期21卷 1915-1927页

作者： Pan Wang Yu-Hang Hu liao-Yuan Zhang yong Meng Zhen-Fu Ma Tian-Ru Wang Zi-lin Zhang Ji-Chao fang Xiao-{4. liu Qing You Yan Zhang Beijing Key Laboratory of Unconventional Natural Gas Geological Evaluation and Development Engineering China University of Geosciences(Beijing)Beijing100083China School of energy Resources China University of Geosciences(Beijing)Beijing100083China Petroleum Engineering Technology Research institute Sinopec Shengli Oilfield CompanyDongying257000ShandongChina Hekou Oil Production Plant Sinopec Shengli Oilfield CompanyDongying257200ShandongChina Petroleum Exploration and Production Research institute SINOPECBeijing102206China CNPC Engineering Technology R&D Company limited Beijing102206China

Nanoparticles(NPs)have gained significant attention as a functional material due to their ability to effectively enhance pressure reduction in injection processes in ultra-low permeability *** are typically studied in controlled laboratory conditions,and their behavior in real-world,complex environments such as ultra-low permeability reservoirs,is not well understood due to the limited scope of their *** study investigates the efficacy and underlying mechanisms of NPs in decreasing injection pressure under various injection conditions(25—85℃,10—25 MPa).The results reveal that under optimal injection conditions,NPs effectively reduce injection pressure by a maximum of 22.77%in core *** pressure reduction rate is found to be positively correlated with oil saturation and permeability,and negatively correlated with temperature and ***,particle image velocimetry(PIV)experiments(25℃,atmospheric pressure)indicate that the pressure reduction is achieved by NPs through the reduction of wall shear resistance and wettability *** work has important implications for the design of water injection strategies in ultra-low permeability reservoirs.

关键词： Nanoparticle Pressure reduction Augmented injection Ultra-low permeability reservoir

FCF-LDH/BiVO_(4.with synergistic effect of physical enrichment and chemical adsorption for efficient reduction of nitrate

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Green energy & Environment 2024年第7期9卷 1112-1121页

作者： Yajie Bai Zhenyuan fang yong Lei lijing liu Huaiquan Zhao Hongye Bai Wei{4. Fan Weidong Shi School of Chemistry and Chemical Engineering Jiangsu UniversityZhenjiang212013China institute of Physics&IMN MacroNano Technische Universitat IlmenauIlmenau98693Germany School of Chemistry Beihang UniversityBeijing100191China

Photoelectrochemical NO_(3)^(-)reduction(PEC NITRR)not only provides a promising solution for promoting the global nitrogen cycle,but also converts NO_(3)^(-)to the important chemicals(NH_(3)).However,it is still a great challenge to prepare catalysts with excellent NO_(3)^(-)adsorption/activation capacity to achieve high ***,we designed a novel Fe^(2+)~Cu^(2+)Fe^(3+)LDH/BiVO_(4.(FCF-LDH/BVO)catalyst with synergistic effect of chemical adsorption and physical ***^(2+)in FCF-LDH/BVO provides the rich Lewis acid sites for the adsorption of NO_(3)^(-),and the appropriate layer spacing of FCF-LDH further promotes the physical enrichment of NO_(3)^(-)in its interior,thus realizing the effective contact between NO_(3)^(-)and active sites(Fe^(2+)).FCF-LDH/BVO showed excellent NH_(3)production performance(FE_(NH_(3))=66.1%,r_(NH_(3))=13.8μg h^(-1)cm^(-2))and selectivity(FE_(NO_(2)^(-))=2.5%,r_(NO_(2)^(-))=4.9μg h^(-1)cm^(-2))in 0.5 mol L^(-1)Na_(2)SO_(4.*** addition,FCF-LDH/BVO maintains the desirable PEC stability for six cycle experiments,showing great potential for practical ***^(14.NO_(3)^(-)and^(15)NO_(3)^(-)isotope test provides strong evidence for further verification of the origin of N in the generated NH_(3).This LDH catalyst has a great potential in PEC removal of NO_(3)^(-)from groundwater.

关键词： LDH Lewis acid sites Physical enrichment Photoelectrochemical NO_(3)^(-)Reduction Ammonia

Atomistic study on the microscopic mechanism of grain boundary embrittlement induced by small dense helium bubbles in iron

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Nuclear Science and Techniques 2024年第3期35卷 84-95页

作者： Lei Peng yong-Jie Sun Jing-Yi Shi Yi-Fei liu Shang-Ming Chen liu-liu {4. State Key Laboratory of Particle Detection and Electronics University of Science and Technology of ChinaHefei 230026China School of Nuclear Science and Technology University of Science and Technology of ChinaHefei 230027China Science and Technology on Reactor System Design Technology Laboratory Nuclear Power Institute of ChinaChengdu 610213China

The helium bubbles induced by 14.MeV neutron irradiation can cause intergranular fractures in reduced activation ferritic martensitic steel,which is a candidate structural material for fusion *** order to elucidate the susceptibility of different grain boundaries(GBs)to helium-induced embrittlement,the tensile fracture processes of 10 types of GBs with and without helium bubbles in body-centered cubic(bcc)iron at the relevant service temperature of 600 K were investigated via molecular dynamics *** results indicate that in the absence of helium bubbles,the GBs studied here can be classified into two distinct categories:brittle GBs and ductile *** atomic scale analysis shows that the plastic deformation of ductile GB at high temperatures originates from complex plastic deformation mechanisms,including the Bain/Burgers path phase transition and deformation twinning,in which the Bain path phase transition is the most dominant plastic deformation ***,the presence of helium bubbles severely inhibits the plastic deformation channels of the GBs,resulting in a significant decrease in elongation at *** bubble-decorated GBs,the ultimate tensile strength increases with the increase in the misorientation ***,the coherent twin boundary∑3{112}was found to maintain relatively high fracture strength and maximum failure strain under the influence of helium bubbles.

关键词： Helium bubble Grain boundary Embrittlement Reduced activation ferritic martensitic steel Molecular dynamics Bain path

Adhesion property of AlCrNbSiTi high-entropy alloy coating on zirconium:experimental and theoretical studies

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Nuclear Science and Techniques 2024年第8期35卷 79-91页

作者： Bao‑liang Zhang Wen‑Guan liu Meng‑He Tu Can fang Yan liu Yu‑Hui Wang {4. Hu Hui Wang china.institute of atomic energy Beijing 102413China Sino‑French institute of Nuclear Engineering and Technology Sun Yat-Sen UniversityZhuhai 519082China School of Power and Mechanical Engineering Wuhan UniversityWuhan 430072China

Experimental scratch tests and first-principles calculations were used to investigate the adhesion property of AlCrNbSiTi high-entropy alloy(HEA)coatings on zirconium *** HEA and Cr coatings were deposited on Zr alloy substrates using multi-arc ion plating technology,and scratch tests were subsequently conducted to estimate the adhesion property of the *** results indicated that Cr coatings had better adhesion strength than HEA coatings,and the HEA coatings showed *** special quasi-random structure approach was used to build HEA models,and Cr/Zr and HEA/Zr interface models were employed to investigate the cohesion between the coatings and Zr substrate using first-principles *** calculated interface energies showed that the cohesion between the Cr coating and the Zr substrate was stronger than that of the HEA coating with *** contrary to Al or Si in the HEA coating,Cr,Nb,and Ti atoms binded strongly with Zr *** on the calculated elastic constants,it was found that low Cr and high Al content decreased the mechanical performances of HEA ***,this study demonstrated the utilization of a combined approach involving first-principles calculations and experimental studies for future HEA coating development.

关键词： High-entropy alloy coating Cr coating Adhesion property Scratch test First-principles calculation

Sensitivity impacts owing to the variations in the type of zero-range pairing forces on the fission properties using the density functional theory

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Nuclear Science and Techniques 2024年第3期35卷 198-207页

作者： Yang Su Ze-Yu li li-Le liu Guo-Xiang Dong Xiao-Bao Wang yong-Jing Chen china.Nuclear Data Center China Institute of Atomic EnergyBeijing 102413China School of Science Huzhou UniversityHuzhou 313000China

Using the Skyrme density functional theory,potential energy surfaces of^(24.)Pu with constraints on the axial quadrupole and octupole deformations(q_(20)and q_(30))were *** volume-like and surface-like pairing forces,as well as a combination of these two forces,were used for the Hartree–Fock–Bogoliubov *** in the least-energy fission path,fission barrier,pairing energy,total kinetic energy,scission line,and mass distribution of the fission fragments based on the different forms of the pairing forces were analyzed and *** fission dynamics were studied based on the timedependent generator coordinate method plus the Gaussian overlap *** results demonstrated a sensitivity of the mass and charge distributions of the fission fragments on the form of the pairing *** on the investigation of the neutron-induced fission of^(239)Pu,among the volume,mixed,and surface pairing forces,the mixed pairing force presented a good reproduction of the experimental data.

关键词： Nuclear fission Density functional theory Pairing force Potential energy surfaces Fission fragment distribution

Experimental and DFT Investigations of AlNbTiVZr High Entropy Alloys with Excellent Mechanical Properties

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Acta Metallurgica Sinica(English Letters) 2024年第9期37卷 1480-1490页

作者： Hongwei Yan yong'an Zhang Wei Xiao Boyu Xue Rui liu Xiwu li Zhihui li Baiqing Xiong State Key Laboratory of Nonferrous Metals and Processes China GRINM Group Co.Ltd.Beijing100088China GRIMAT Engineering institute Co. Ltd.Beijing101407China General Research institute for Nonferrous Metals Beijing100088China

This study investigated the microstructure and mechanical properties of AlNbTiVZr series high-entropy alloys(HEAs)through both experimental studies and density functional theory *** improvements in the microstructures and mechanical properties were achieved for the AlNbTiVZr series HEAs by meticulously adjusting the alloy composition and employing homogenization heat ***,the specimen designated as Al_(0.5)NbTiVZr_(0.5) demonstrated excellent mechanical properties including a compressive yield strength of 1162 MPa and a compressive strength of 1783 *** homogenization heat treatment at 1000℃ for 24.h,the Al_(0.5)NbTiVZr_(0.5) alloy exhibits brittle-to-ductile *** atomic-scale theoretical simulations reveal that the decrease of Al content intrinsically enhances the ductility of the alloys,thereby indicating that the mechanical properties of the AlNbTiVZr series HEAs were significantly influenced by the chemical ***,specific atomic pair formations were observed to adversely affect the microstructure of the AlNbTiVZr series HEAs,particularly in terms of *** findings provide valuable insights for the design and optimization of light weight HEAs,emphasizing the synergistic adjustment of alloy composition and heat treatment processes to achieve a balance between the strength and ductility.

关键词： High-entropy alloy Microstructure Mechanical properties Density functional theory

Co-aromatization of methane and hexane over Pt encapsulated in ZSM-5 zeolite and the electronic effect of K promoters

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Science china.Chemistry 2024年第3期67卷 1017-1027页

作者： Bei liu Fan Wang Xiaomeng Dou Pengfei li Hongwei Xiang yong Yang Peng He State Key Laboratory of Coal Conversion Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001China Department of Chemistry Tsinghua UniversityBeijing 100084China National energy R&D Center for Coal to liquid Fuels Synfuels China Technology Co.Ltd.Beijing 101407China University of Chinese Academy of Sciences Beijing 101408China Leibniz-Institut für Katalyse e.V.an der Universitat Rostock Rostock 18059Germany

The co-aromatization of methane with higher hydrocarbons represents a promising route to valorize methane, an abundant but underexploited carbon resource. In this study, we elucidate a novel approach to enhance the catalytic co-aromatization of hexane and methane by confining Pt within zeolite catalysts and modulating its electron density. Our findings show that encapsulating Pt within MFI structure is pivotal for activating the feedstock and fostering the formation of aromatic products. Interaction between K atoms and the silanol nest forms siloxy groups which are critical for the stabilization of Pt species. Tuning the K content in PtSn@MFI catalysts adeptly alters the electronic configuration of Pt clusters. This modification is corroborated by infrared and X-ray photoelectron spectroscopy analysis, and density functional theory calculations. Remarkably, the catalyst with 0.8 wt% K exhibits an optimal Pt electron density, driving its superior efficacy in the co-aromatization reaction, converting 0.78 mol of methane for each mole of hexane processed. By employing ~(13)C isotopic labeling and solid-state NMR studies, we demonstrate the participation of methane in the adsorbed species inside the zeolite channel and its incorporation to the benzyl site of the substitute group and phenyl rings in aromatic compounds, underscoring the importance of Pt encapsulation.

关键词： Pt encapsulation MFI zeolite methane activation co-aromatization ^(13)C solid-state NMR