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Acta Mathematica Sinica,English Series 2025年

作者： Zhenlong chen Peng Xu School of Statistics and Mathematics Zhejiang Gongshang University

Let X={X（t）, t∈RN}be a centered space-time anisotropic Gaussian random field with values in Rd. Under some general conditions, the existence, joint continuity and H¨older conditions of higher-order derivative of local times of X are studied. Moreover, we obtain the uniform Hausdorff dimension of the inverse images of X. The existing results of Gaussian random fields are extended to space-time anisotropic Gaussian random fields with approximate independent components.

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Preparation and Performance of Ternary Early Strength Agent and Quercetin Composite Cement Sealing Material

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 130-140页

作者： LIU Jian chen Meiting JI Xiaoli XU Chao WANG Chunmei Department of Safety Science and Engineering Anhui University of Science and TechnologyHuainan 232001China Key Laboratory of Mine Safety and High Efficient Mining Jointly Built by Province and Education Ministry Anhui University of Science and TechnologyHuainan 232001China Department of Chemical Engineering and Explosives Anhui University of Science and TechnologyHuainan 232001China

A ternary early-strengthening agent consisting of calcium formate+triethanolamine+lithium sulfate was compounded with quercetin to shorten the setting time of cementitious materials while ensuring their early *** optimum ratio of the three early-strengthening agents was determined as 0.5%calcium formate+0.04%triethanolamine+0.4%lithium sulfate by response surface *** effects of the ternary early-strengthening agent composed of calcium formate+triethanolamine(TEA)+lithium sulfate on cementitious pore sealing materials under the synergistic effect of quercetin were studied by means of the performance tests of compressive strength,fluidity,and setting time,and the microstructural characterizations of X-ray powder diffractometer(XRD),thermogravimetry(TG-DSC)and scanning electron microscopy(SEM).The study shows that the synergistic effect of ternary early-strengthening agent and quercetin forms a multi-performance composite admixture for cementitious *** best performance was obtained with the compounding scheme of 0.5%calcium formate+0.04%triethanolamine+0.4%lithium sulfate ternary early-strengthening agent and 0.05%*** compressive strength of 1,3,7,and 28 d are 94.8%,39.8%,42%,and 28%higher than those of the blank group,*** initial time and final setting time are 41 and 57 minutes,*** to the microscopic analysis,the network and fibrous C-S-H gels generated by ternary early-strengthening agents are attached to the surface promoted by quercetin,which forms skeleton support while thickening and solidifying the cement slurry,which enhances the early compressive strength of the cement-based materials.

关键词： sealing material ternary early-strengthening agent quercetin synergetic effect response surface methodology

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First-Principle Calculations of Elastic Properties of Wurtzite-Type Aluminum Nitride Under Pressure

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Communications in Theoretical Physics 2008年第2期49卷 489-492页

作者： WANG Yong-Liang CUI Hong-ling YU Bai-ru chen Xiang-Rong College of Physical Science and Technology Sichuan University Chengdu 610064 China Institute of Atomic and Molecular Physics Sichuan University Chengdu 610065 China International Centre for Materials Physics the Chinese Academy of Sciences Shenyang 110016 China

The elastic properties of the wurtzite-type aluminum nitride （w-AlN） are investigated by ab initio plane-wave pseudopotential density functional theory method. The pressure dependences of the normalized primitive cell volume V/Vo, the elastic constants cij, the aggregate elastic modulus （B, G, E）, the Poisson＇s ratio （v）, and the Debye temperature θD are successfully obtained. From the elastic constants of the w-AlN under pressure, we find that the w-AlN should be unstable at higher pressure than 61.33 GPa.

关键词： density functional theory elastic properties w-AlN

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A review of the recent progress in battery informatics

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npj Computational Materials 2022年第1期8卷 284-305页

作者： chen ling Toyota Research Institute of North America 1555 Woodridge AvenueAnn ArborMichigan48105USA

Batteries are of paramount importance for the energy storage,consumption,and transportation in the current and future *** machine learning(ML)has demonstrated success for improving lithium-ion technologies and *** in-depth review aims to provide state-of-art achievements in the interdisciplinary field of ML and battery research and engineering,the battery *** highlight a crucial hurdle in battery informatics,the availability of battery data,and explain the mitigation of the data scarcity challenge with a detailed review of recent *** review is concluded with a perspective in this new but exciting field.

关键词： battery field lithium

Unveiling the promotion role of ZnO on Zn-Al spinel oxide for CO2 hydrogenation

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Journal of Energy Chemistry 2025年第1期100卷 18-25页

作者： Tongyao Wang Xinlong Yao Lixin Liang Hongyu chen Pan Gao Guangjin Hou State Key Laboratory of Catalysis Dalian National Laboratory for Clean Energy Dalian Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of Sciences

The Zn-Al spinel oxide stands out as one of the most active catalysts for high-temperature methanol synthesis from CO2hydrogenation. However, the structure–activity relationship of the reaction remains poorly understood due to challenges in atomic-level structural characterizations and analysis of reaction intermediates. In this study, we prepared two Zn-Al spinel oxide catalysts via coprecipitation（ZnAl-C）and hydrothermal（ZnAl-H） methods, and conducted a comparative investigation in the CO2hydrogenation reaction. Surprisingly, under similar conditions, ZnAl-C exhibited significantly higher selectivity towards methanol and DME compared to ZnAl-H. Comprehensive characterizations using X-ray diffraction（XRD）, Raman spectroscopy and electron paramagnetic resonance（EPR） unveiled that ZnAl-C catalyst had abundant ZnO species on its surface, and the interaction between the ZnO species and its ZnAl spinel oxide matrix led to the formation of oxygen vacancies, which are crucial for CO2adsorption and activation. Additionally, state-of-the-art solid-state nuclear magnetic resonance（NMR） techniques,including ex-situ and in-situ NMR analyses, confirmed that the surface ZnO facilitates the formation of unique highly reactive interfacial formate species, which was readily hydrogenated to methanol and DME. These insights elucidate the promotion effects of ZnO on the ZnAl spinel oxide in regulating active sites and reactive intermediates for CO2-to-methanol hydrogenation reaction, which is further evidenced by the significant enhancement in methanol and DME selectivity observed upon loading ZnO onto the ZnAl-H catalyst. These molecular-level mechanism understandings reinforce the idea of optimizing the ZnO-ZnAl interface through tailored synthesis methods to achieve activity-selectivity balance.

关键词： Reaction intermediates

Tuning the interfacial reaction environment via pH-dependent and induced ions to understand C–N bonds coupling performance in NO3- integrated CO2 reduction to carbon and nitrogen compounds over dual Cu-based N-doped carbon catalyst

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Journal of Energy Chemistry 2025年第1期100卷 273-285页

作者： Tianhang Zhou chen Shen Zhenghao Wu Xingying Lan Yi Xiao College of Carbon Neutrality Future Technology State Key Laboratory of Heavy Oil Processing China University of Petroleum (Beijing) Institute of Materials Science TU Darmstadt Department of Chemistry Xi'an Jiaotong-Liverpool University Department of Mechanical and Mechatronics Engineering and Waterloo Institute of Nanotechnology University of Waterloo Waterloo

Dual atomic catalysts （DAC）,particularly copper （Cu2）-based nitrogen （N） doped graphene,show great potential to effectively convert CO2and nitrate （NO3-） into important industrial chemicals such as ethylene,glycol,acetamide,and urea through an efficient catalytical process that involves C–C and C–N ***,the origin of the coupling activity remained unclear,which substantially hinders the rational design of Cu-based catalysts for the N-integrated CO2reduction reaction （CO2RR）.To address this challenge,this work performed advanced density functional theory calculations incorporating explicit solvation based on a Cu2-based N-doped carbon (Cu2N6C10) catalyst for *** calculations are aimed to gain insight into the reaction mechanisms for the synthesis of ethylene,acetamide,and urea via coupling in the interfacial reaction *** to the sluggishness of CO2,the formation of a solvation electric layer by anions （F-,Cl-,Br-,and I-） and cations (Na+,Mg2+,K+,and Ca2+) leads to electron transfer towards the Cu *** process significantly accelerates the reduction of *** results reveal that*CO intermediates play a pivotal role in N-integrated ***,the Cu2-based N-doped carbon catalyst examined in this study has demonstrated the most potential for C–N coupling to *** findings reveal that through the process of a condensation reaction between*CO and NH2OH for urea synthesis,*NO3-is reduced to*NH3,and*CO2to*CCO at dual Cu atom *** dual-site reduction facilitates the synthesis of acetamide through a nucleophilic reaction between NH3and the ketene ***,we found that the I-and Mg2+ions,influenced by pH,were highly effective for acetamide and ammonia synthesis,except when F-and Ca2+were ***,the mechanisms of C–N bond formation were investigated via ab-initio molecular dynamics simulations,and we found that adjusting the micro-environment can change the dominant side reaction,shift

关键词： Condensation reactions

Wave effect of gravitational waves intersected with a microlens field Ⅱ:An adaptive hierarchical tree algorithm and population study

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 241-254页

作者： Xikai Shan Guoliang Li Xuechun chen Wen Zhao Bin Hu Shude Mao Department of Astronomy Tsinghua University Purple Mountain Observatory Chinese Academy of Sciences Institute for Frontier in Astronomy and Astrophysics Beijing Normal University School of Physics and Astronomy Beijing Normal University School of Astronomy and Space Science University of Science and Technology of China CAS Key Laboratory for Researches in Galaxies and Cosmology Department of Astronomy University of Science and Technology of ChinaChinese Academy of Sciences

The gravitational lensing wave effect generated by a microlensing field embedded in a lens galaxy is an inevitable phenomenon in strong lensed gravitational waves （SLGWs）.This effect presents both challenges and opportunities for the detection and application of ***,investigating this wave effect requires computing a complete diffraction integral over each microlens in the *** is extremely time-consuming due to the large number of microlenses （10～3-10～6）.Therefore,simply adding all the microlenses is ***,the complexity of the time delay surface makes the lens plane resolution a crucial factor in controlling numerical *** this paper,we propose a trapezoid approximation-based adaptive hierarchical tree algorithm to meet the challenges of calculation speed and *** find that this algorithm accelerates the calculation by four orders of magnitude compared to the simple adding method and is one order of magnitude faster than the fixed hierarchical tree algorithm proposed for electromagnetic *** importantly,our algorithm ensures controllable numerical errors,increasing confidence in the *** with our previous work （***.66,239511,2023）,this paper addresses all numerical issues,including integral convergence,precision,and computational time1).Finally,we conducted a population study on the microlensing wave effect of SLGWs using this algorithm and found that the microlensing wave effect cannot be ignored,especially for Type II SLGWs （from saddle position of the time delay surface） due to their intrinsic geometric structures and their typical intersection with a denser microlensing ***,more than 33%（11%） of SLGWs have a mismatch larger than 1%（3%） compared to the unlensed ***,we found that the mismatch between signal pairs in a doubly imaged GW is generally larger than 10-3,and 61%（25%） of signal pairs have a mismatch larger than 1%（3%）.Therefo

关键词： gravitational lensing diffractional integral algorithm gravitational wave

Highly conductive and stable iodine doped argyrodite electrolyte for all-solid-state lithium batteries

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Journal of Energy Chemistry 2025年第1期100卷 50-58页

作者： Gaozhan Liu Jing Zhang Jing Yang Jinghui chen Xingyue Xiao Xiayin Yao Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences

Lithium argyrodites with high ionic conductivity and low cost are considered as one of the most prospective solid electrolytes for all-solid-state lithium ***,the poor chemical stability and compatibility with lithium metal limit their ***,Li5.4PS4.4Cl1.4I0.2solid electrolyte with high ionic conductivity of 11.49 m S cm-1and improved chemical stability is synthesized by iodine *** ultra-thin Li5.4PS4.4Cl1.4I0.2membrane with thickness of 10μm can be obtained by wet coating process,exhibiting a high ionic conductivity of 2.09 mS cm-1and low areal resistance of 1.17Ω***,iodine doping could in-situ form LiI at the lithium/electrolyte interface and improve the critical current density of Li5.4PS4.4Cl1.6from 0.8 to 1.35 mA *** resultant LiCoO2/Li5.4PS4.4Cl1.4I0.2/Li battery shows excellent cycling stability at 1 C,with a reversible specific capacity of 110.1 mA h g-1and a retention of 80.5% after 1000 *** addition,the assembled LiCoO2/Li5.4PS4.4Cl1.4I0.2membrane/Li pouch cell delivers an initial discharge capacity of 110.4 mA h g-1and 80.5% capacity retention after 100 cycles.

关键词： Solid-State Batteries

Electrocatalytic cleavage of a lignin β-O-4 model compound and coupling with nitrogen-containing aromatics using Prussian blue analogue-derived nickel–cobalt spinel

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Journal of Energy Chemistry 2025年第1期100卷 628-636页

作者： Yi Qi Xueying chen Bowen Liu Xuliang Lin Xueqing Qiu Yanlin Qin Guangdong Provincial Key Laboratory of Plant Resources Biorefinery School of Chemical Engineering and Light Industry Guangdong University of Technology Guangdong Provincial Laboratory of Chemistry and Fine Chemical Engineering Jieyang Center Guangdong Basic Research Center of Excellence for Ecological Security and Green Development Guangdong University of Technology

Electrochemical conversion of lignin for the production of high-value heterocyclic aromatic compounds has great *** demonstrate the targeted synthesis and cation modulation of NiCo2O4spinel nanoboxes,synthesized via cation exchange and calcination *** catalysts exhibit excellent efficacy in the electrocatalytic conversion of lignin model compounds,specifically 2-phenoxy-1-phenylethanol,into nitrogen-containing aromatics,achieving high conversion rates and *** catalysts were synthesized via a cation exchange and calcination oxidation process,using Prussian blue nanocubes as *** porous architecture and polymetallic composition of the NiCo2O4spinel demonstrated superior performance in electrocatalytic oxidative coupling,achieving a 99.2 wt%conversion rate of the 2-phenoxy-1-phenylethanol with selectivities of 37.5 wt%for quinoline derivatives and 31.5 wt%for *** innovations include the development of a sustainable one-pot synthesis method for quinoline derivatives,the elucidation of a multistage reaction pathway involving CAO bond cleavage,hydroxyaldol condensation,and CAN bond formation,and a deeper mechanistic understanding derived from DFT *** work establishes a new strategy for lignin valorization,offering a sustainable route to produce high-value nitrogen-containing aromatics from renewable biomass under mild conditions,without the need for additional reagents.

关键词： Spinel Biomass valorization Electrocatalysis Lignin oxidation Coupling

A monolithic 3D IGZO-RRAM-SRAM-integrated architecture for robust and efficient compute-in-memory enabling equivalent-ideal device metrics

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Science China(Information Sciences) 2025年

作者： Shengzhe YAN Zhaori CONG Zi WANG Zhuoyu DAI Zeyu GUO Zhihang QIAN Xufan LI Xu ZHENG Chuanke chen Nianduan LU Chunmeng DOU Guanhua YANG Xiaoxin XU Di GENG Jinshan YUE lingfei WANG ling LI Ming LIU Institute of Microelectronics of the Chinese Academy of Sciences University of Chinese Academy of Sciences

Abstract Compute-in-memory (CIM) based on various devices such as static random access memory (SRAM) and resistive random access memory (RRAM) and other emerging devices such as indium-gallium-zinc-oxide (IGZO) transistor, magnetoresistive RAM (MRAM), and ferroelectric RAM (FeRAM) has been explored for better performance and energy efficiency on neural networks applications. However, CIM based on a single-type device suffers a variety of non-ideal metrics to reach the simultaneous optimal accuracy, density, and energy efficiency. This work presents equivalent-ideal CIM (Eq-CIM), a monolithic 3D(M3D) IGZO-RRAM-SRAM integrated architecture for robust and efficient compute-in-memory enabling equivalent-ideal device metrics. To overcome the non-ideality (variation, endurance, temperature, etc.) of the single-type devices, system-technology co-optimization (STCO) is performed. This work highlights the non-ideality-aware functionality breakdown for robust high accuracy and simultaneous high density/efficiency, by utilizing 2T0C IGZO for temporal activation storage, RRAM for high-density weight storage, and SRAM for accurate CIM. Device-to-algorithm variation transfer is applied to analyze the system-level accuracy. We benchmark Eq-CIM architecture on CIFAR-10/ImageNet, with 5.06×storage density and 5.05×/2.45×area/energy efficiency compared with single-type-device-based CIM, and high robustness (<0.27%accuracy loss) from-40℃ to 120℃.

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