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Dynamically lithium-compensated polymer artificial SEI to assist highly stable lithium-rich manganese-based anode-free lithium metal batteries

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Rare Metals 2024年第6期43卷 2527-2535页

作者： Ming-Ji Peng Jin-Qiu Zhou Ting-Ting Han Yang Zhou Jie Liu Na Xu zhen-kang wang Wen-Bin Lin Cheng-Lin Yan Key Laboratory of Core Technology of High Specific Energy Battery and Key Materials for Petroleum and Chemical Industry College of EnergySoochow UniversitySuzhou 215006China Light Industry Instituteof Electrochemical Power Sources Suzhou 215006China School of Chemistry and Chemical Engineering Nantong UniversityNantong 226019China e-mail:jliu93@*** State Key Laboratory of Space Power-Sources Technology Shanghai Institute of Space Power-SourcesShanghai 200245China Centre Energie Materiaux et TélécommunicationsInstitut National de la Recherche ScientifiqueVarennesQC J3X 1S2Canada Zhangjiagang Industrial Technologies Soochow UniversitySuzhou 215006China

Owing to the unique structure,anode-free lithium metal batteries(AFLMBs)have higher energy density and lower production cost than traditional lithium metal batteries(LMBs)or lithium-ion batteries(LIBs),However,AFLMBs suffer from an inherently finite Li reservoir and exhibit poor cycle stability,low Coulombic efficiency(CE)and severe dendrite *** this work,polydiallyl lithium disulfide(PDS-Li)was successfully synthesized and coated on Cu current collector by electrochemical *** PDS-Li acts as an additional lithium resource to compensate for the irreversible loss of lithium during *** addition,the special structure and lithiophilicity of PDS-Li contribute to lower nucleation overpotential and uniform lithium *** coupled with Li-rich manganese-based(LRM)cathode of Li1.2Mn0.54Ni0.13Co0.13O2,the anode-free full cell exhibits significantly improved cycle stability over 100 cycles and capacity retention of 63.3%and 57%after 80 and 100 cycles,*** believe that PDS-Li can be used to ensure stable cycling performance and high-energy-density in AFLMBs.

关键词： Anode-free Artificial solid electrolyte interphase(SEI) Lithium metal batteries Lithium-rich cathode Finite element simulation

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Molecular Chaperone-Dependent Polymer Translocation through Nanopores: The Effects of Chaperone Concentration and Chaperone-Polymer Interaction

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Chinese Journal of Polymer Science 2024年第1期42卷 125-132,I0011页

作者： Chang-Sheng Zuo kang wang Li-zhen Sun Ting-Ting Sun Department of Physics Zhejiang University of Science and TechnologyHangzhou 310023China Department of Applied Physics Zhejiang University of TechnologyHangzhou 310014China

The polymer translocation through a nanopore from a donor space(or named cis side) to a receiver space(trans side) in the chaperone-induced crowded environment has attracted increasing attention in recent years due to its significance in biological systems and technological applications. In this work, we mainly focus on the effects of chaperone concentration and chaperone-polymer interaction on the polymer translocation. By assuming the polymer translocation to be a quasi-equilibrium process, the free energy F of the polymer can be estimated by Rosenbluth-Rosenbluth method and then the translocation time τ can be calculated by Fokker-Plank equation based on the obtained free energy landscape. Our calculation results show that the translocation time can be controlled by independently tuning the chaperone concentration and chaperone-polymer interaction at the cis side or the trans side. There exists a critical chaperone-polymer attraction ε~*=-0.2 at which the volume exclusion and interaction effects of the chaperone can balance each other. Additionally, we also find that at large chaperone-polymer attraction, the translocation time is mainly governed by the diffusion coefficient of the polymer.

关键词： Polymer translocation Rosenbluth-Rosenbluth method Fokker-Plank equation Free energy landscapes

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Program Derivation and Mechanized Verification of Imperative Dynamic Programming Algorithms

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Ruan Jian Xue Bao/Journal of Software 2024年第9期35卷

作者： Zuo, zheng-kang Sun, Huan wang, Chang-Jing You, zhen Huang, Qing wang, Chang-Chang School of Digital Industry Jiangxi Normal University Shangrao 334006 China School of Computer Information Engineering Jiangxi Normal University Nanchang 330022 China National-level International S & T Cooperation Base of Networked Supporting Software Jiangxi Normal University Nanchang 330022 China

As a recursive method for finding the optimal solution to a problem, dynamic programming mainly solves the original problem by first solving the subproblems and then combining their solutions. Due to a large number of dependencies and constraints among its subproblems, the validation procedure is laborious, and especially the correctness verification of imperative dynamic programming algorithms is a challenge. Based on the functional modeling and verification of dynamic programming algorithms Isabelle/HOL, this study avoids dealing with complex dependencies and constraints in proving correctness by verifying the equivalence of imperative dynamic programming algorithms and their programs. Meanwhile, a framework for the design of imperative dynamic programming algorithmic programs and their mechanized verification are proposed. First, according to the optimization method (memo method) and properties (optimal substructure property and subproblems overlapping property) of dynamic programming algorithms, the problem specification is described, the recursive relations are inductively derived, and the loop invariants are formally constructed. Then, the IMP (minimalistic imperative programming language) code is generated based on the recursive relations. Second, the problem specification, loop invariants, and generated IMP code are fed into VCG (verification condition generator) to generate the verification condition for correctness automatically. Additionally, the verification condition is then mechanically verified in the Isabelle/HOL theorem prover. The algorithm is initially designed in the general form of an imperative dynamic programming algorithm and further instantiated to obtain specific algorithms. Finally, the effectiveness of the proposed framework is validated by case studies to provide references for automated derivation and verification of dynamic programming algorithms. © 2024 Chinese Academy of Sciences. All rights reserved.

关键词： Dynamic programming

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Number of Solitons Emerged in the Initial Profile of Shallow Water Using Convolutional Neural Networks

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Journal of Systems Science & Complexity 2024年第2期37卷 463-479页

作者： wang zhen CUI Shikun School of Mathematical Sciences Dalian University of TechnologyDalian 116024China School of Mathematical Sciences Beihang UniversityBeijing 100191China

The soliton resolution conjecture proposes that the initial value problem can evolve into a dispersion part and a soliton ***,the problem of determining the number of solitons that form in a given initial profile remains unsolved,except for a few specific *** this paper,the authors use the deep learning method to predict the number of solitons in a given initial value of the Korteweg-de Vries(KdV)*** leveraging the analytical relationship between Asech^(2)(x)initial values and the number of solitons,the authors train a Convolutional Neural Network(CNN)that can accurately identify the soliton count from spatio-temporal *** trained neural network is capable of predicting the number of solitons with other given initial values without any additional *** extensive calculations,the authors demonstrate the effectiveness and high performance of the proposed method.

关键词： Convolutional neural network deep learning method KdV equation soliton

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Normalized glandular dose coefficients for digital breast tomosynthesis using detailed Chinese breast models

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Nuclear Science and Techniques 2024年第5期35卷 42-59页

作者： Jia-Hao wang Rui Qiu An-kang Hu Ye-Qi Liu zhen Wu Hui Zhang Jun-Li Li Department of Engineering Physics Tsinghua UniversityBeijing 100084China Key Laboratory of Particle and Radiation Imaging Ministry of EducationTsinghua UniversityBeijing 100084China Joint Institute of Tsinghua University Nuctech Company Limited BeijingBeijing 100084China

The rise in breast cancer diagnoses among Chinese women has necessitated the use of X-ray breast screening,which carries a radiation *** study aimed to provide a dosimetry protocol for the Chinese female population to replace the traditional standard that utilizes simplified breast models,for the accurate estimation of the mean glandular dose of a patient undergoing digital breast tomosynthesis(DBT).The first set of detailed Chinese female breast models and representative breast parameters was *** backscatter radiation and computational efficiency,we improved the combination of these models and the Chinese reference adult female whole-body voxel *** acquisition for four commercial DBT systems that are widely employed in China was simulated using the Monte Carlo method to obtain the normalized glandular dose coefficients of DBT(D_(gN)^(DBT))and the glandular depth dose(D_(g)^(dep)(z))for different breast characteristics and X-ray *** calculated a series of D_(gN)^(DBT) values for breasts with different percentage mass glandularities(5%,25%,50%,75%,and 100%)and compressed breast thicknesses(2,3,4,5,6,and 7 cm)at various tube potentials(25,28,30,32,35,and 49 kV)and target/filter combinations(W/Rh,W/Al,Mo/Mo,Rh/Rh,and Rh/Ag).The parameter dependence of the breast characteristics and beam conditions on D_(gN)^(DBT) in detailed breast models was *** D_(gN)^(DBT) results were 14.6-51.0%lower than those of the traditional dosimetry standard in *** difference in D_(gN)^(DBT) was mainly due to a decrease in the depth of the main energy deposition area caused by the glandular distribution along the depth *** results obtained in this study may be used to improve breast dosimetry in China and provide more detailed information on risk assessment during DBT.

关键词： Digital breast tomosynthesis Normalized glandular dose coefficients Detailed breast model Monte Carlo simulation

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Regulating ion transport behaviors toward dendrite-free potassium metal batteries:recent advances and perspectives

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Rare Metals 2024年第4期43卷 1435-1460页

作者： Lu-kang Zhao Xuan-Wen Gao Tian-zhen Ren Da wang Da-Wei wang Zhao-Meng Liu Hong Chen Wen-Bin Luo School of Metallurgy Northeastern UniversityShenyang110819China School of Chemical Engineering The University of New South WalesSydneyNSW2052Australia

With abundant potassium resources and high capacity,potassium metal batteries(PMBs)present a compelling option for the next generation of energy storage ***,PMBs suffer from an unstable anode interface caused by uncontrolled dendrite growth,which results in unsatisfactory cyclability and safety *** investigations suggest that significant progress has been made in enhancing the interfacial stability of *** various effective strategies for stabilizing interfaces can ultimately be attributed to the regulation of the sluggish ion transfer kinetics and irregular deposition,i.e.,the arrangement of ion transport behaviors at the *** modulation of ions transport rate and ions deposition directions makes it possible to obtain a dendrite-free and smooth deposition ***,the influencing factors and action mechanism of K^(+)interface transport behaviors are discussed to understand the nature of material design for constructing stable anode interfaces,including regulating the solvation and desolvation structures,accelerating K^(+)transport kinetics and controlling K^(+)deposition *** addition,the deficiencies and prospects of the research on electrolyte,separators and designed electrode involved in the manufacturing and testing and ion transport process of PMBs are *** review is expected to provide some possible directions for constructing dendrite-free interfaces in advanced PMBs-related research and offer significant insights for prospective experimental research and commercial applications.

关键词： Ion transport rate Ion transport direction Interface Potassium metal batteries Dendrites growth

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Fusion of Spiral Convolution-LSTM for Intrusion Detection Modeling

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Computers, Materials & Continua 2024年第5期79卷 2315-2329页

作者： Fei wang zhen Dong School of Cyberspace Security Gansu University of Political Science and LawLanzhou73000China

Aiming at the problems of low accuracy and slow convergence speed of current intrusion detection models,SpiralConvolution is combined with Long Short-Term Memory Network to construct a new intrusion detection *** dataset is first preprocessed using solo thermal encoding and normalization *** the spiral convolution-Long Short-Term Memory Network model is constructed,which consists of spiral convolution,a two-layer long short-term memory network,and a *** is shown through experiments that the model is characterized by high accuracy,small model computation,and fast convergence speed relative to previous deep learning *** model uses a new neural network to achieve fast and accurate network traffic intrusion *** model in this paper achieves 0.9706 and 0.8432 accuracy rates on the NSL-KDD dataset and the UNSWNB-15 dataset under five classifications and ten classes,respectively.

关键词： Intrusion detection deep learning spiral convolution long and short term memory networks 1D-spiral convolution

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Spatiotemporal variations in glacier area and surface velocity of the northern Antarctic Peninsula during 2018-2022

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Advances in Climate Change Research 2024年第2期15卷 297-311页

作者： Yu-Long kang Shi-Chang kang Wan-Qin GUO Tao CHE Zong-Li JIANG zhen-Feng wang Qiang-Qiang XU Cheng-De YANG State Key Laboratory of Cryospheric Science Northwest Institute of Eco-Environment and ResourcesChinese Academy of SciencesLanzhou 730000China University of Chinese Academy of Sciences Beijing 100083China Key Laboratory of Remote Sensing of Gansu Province Northwest Institute of Eco-Environment and ResourcesChinese Academy of SciencesLanzhou 730000China School of Earth Sciences and Spatial Information Engineering Hunan University of Science and TechnologyXiangtan 411201China

Ice sheet serves as a crucial indicator for assessing climate *** loss in recent remote sensing-based studies indicated that the Antarctic Peninsula has rapid rates of glacier retreat and speed up of surface ***,observations of seasonal variability of ice speed are limited,and glacier-area changes require multi-temporal *** study investigated the changes in area and surface velocities of∼375 glaciers on the northern Antarctic Peninsula(NAP)utilizing satellite images acquired by the Sentinel 1&2 satellites during *** results indicate that the glacier area reduced by approximately 166.1±44.2 km^(2)(-0.2%±0.1%per year)during the study period,with an acceleration after 2020(-0.4%±0.3%per year),and the most dramatic reduction happened on the eastern *** maximum annual ice speeds on the NAP generally exceeded 3500 m per year,while the ice speeds in 2021 were the highest(exceeded 4210 m per year).The ice speed variability in austral autumn was higher than in other seasons,meanwhile the summer ice speeds showed an increasing *** glacier G012158E47018N,McNeile Glacier,glacier G299637E64094S and Drygalski Glacier showed the most remarkable ice speed variations represented by high daily velocities and strong fluctuations on their *** results demonstrated that the variations in glacier area and seasonal ice speed on the NAP were responsive to the ice-ocean-atmosphere ***,seasonal velocity and area variations should be considered when conducting accurate mass balance calculations,model validations and change mechanism analyses under climate warming scenarios.

关键词： Glacier area Seasonal ice speed Sentinel 1&2 Northern Antarctic Peninsula Ice-ocean-atmosphere processes

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Sandwich-type composited solid polymer electrolytes to strengthen the interfacial ionic transportation and bulk conductivity for all-solid-state lithium batteries from room temperature to 120℃

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Journal of Energy Chemistry 2024年第8期95卷 288-295,I0007页

作者： Jiewen Tan zhen wang Jiawu Cui Zhanhui Jia Wensheng Tian Chao Wu Chengxin Peng Chengyong Shu kang Yang Wei Tang School of Chemical Engineering and Technology Xi'an Jiaotong UniversityXi'an 710049ShaanxiChina Center for Advancing Materials Performance from the Nanoscale(CAMP-Nano) State Key Laboratory for Mechanical Behavior of MaterialsXi'an Jiaotong UniversityXi'an 710049ShaanxiChina State Key Laboratory of Space Power-sources Technology Shanghai Institute of Space Power-SourcesShanghai 200245China School of Materials Science and Engineering University of Shanghai for Science and TechnologyShanghai 200093China Top-Energy Digital Manufacturing Technologies(Xi'an)Co. Ltd.Xi'an 710100ShaanxiChina

The insurmountable charge transfer impedance at the Li metal/solid polymer electrolytes(SPEs)interface at room temperature as well as the ascending risk of short circuits at the operating temperature higher than the melting point,dominantly limits their applications in solid-state batteries(SSBs).Although the inorganic filler such as CeO_(2)nanoparticle content of composite solid polymer electrolytes(CSPEs)can significantly reduce the enormous charge transfer impedance at the Li metal/SPEs interface,we found that the required content of CeO_(2)nanoparticles in SPEs varies for achieving a decent interfacial charge transfer impedance and the bulk ionic conductivity in *** this regard,a sandwich-type composited solid polymer electrolyte with a 10%CeO_(2)CSPEs interlayer sandwiched between two 50%CeO_(2)CSPEs thin layers(sandwiched CSPEs)is constructed to simultaneously achieve low charge transfer impedance and superior ionic conductivity at 30℃.The sandwiched CSPEs allow for stable cycling of Li plating and stripping for 1000 h with 129 mV polarized voltage at 0.1 mA cm^(-2)and 30℃.In addition,the LiFePO_(4)/Sandwiched CSPEs/Li cell also exhibits exceptional cycle performance at 30℃and even elevated120℃without short *** multi-layered CSPEs with optimized contents of the inorganic fillers can be an efficient method for developing all solid-state PEO-based batteries with high performance at a wide range of temperatures.

关键词： PEO-based solid electrolytes CeO_(2)nanoparticles Charge transfer impedance Sandwich-type composite electrolytes All-solid-state Li metal batteries

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Structure-based design and optimization lead to the identification of novel dihydrothiopyrano[3,2-d]pyrimidine derivatives as potent HIV-1 inhibitors against drug-resistant variants

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Acta Pharmaceutica Sinica B 2024年第3期14卷 1257-1282页

作者： Zhao wang Heng Zhang zhen Gao Zihao Sang Erik De Clercq Christophe Pannecouque Dongwei kang Peng Zhan Xinyong Liu Department of Medicinal Chemistry Key Laboratory of Chemical Biology(Ministry of Education)School of Pharmaceutical SciencesCheeloo College of MedicineShandong UniversityJinan 250012China Rega Institute for Medical Research Laboratory of Virology and ChemotherapyK.U.LeuvenLeuven B-3000Belgium China-Belgium Collaborative Research Center for Innovative Antiviral Drugs of Shandong Province Jinan 250012China Suzhou Research Institute Shandong UniversitySuzhou 215123China

With our continuous endeavors in seeking potent anti-HIV-1 agents,we reported here the discovery,biological characterization,and druggability evaluation of a class of nonnucleoside reverse transcriptase *** fully explore the chemical space of the NNRTI-binding pocket,novel series of dihydrothiopyrano[3,2-d]pyrimidines were developed by employing the structure-based design *** of the derivatives were endowed with prominent antiviral activities against HIV-1 wild-type and resistant strains at nanomolar *** them,compound 23h featuring the aminopiperidine moiety was identified as the most potent inhibitor,with EC50values ranging from 3.43 to 21.4 nmol/***,for the challenging double-mutants F227L+V106A and K103N+Y181C,23h exhibited 2.3-to 14.5-fold more potent activity than the first-line drugs efavirenz and ***,the resistance profiles of 23h achieved remarkable improvement compared to efavirenz and *** binding target of 23h was further confirmed to be HIV-1 reverse *** modeling studies were also performed to elucidate the biological evaluation results and give guidance for the optimization ***,no apparent inhibition of the major CYP450 enzymes and hERG channel was observed for *** importantly,23h was characterized by good pharmacokinetic properties and excellent safety in ***,23h holds great promise as a potential candidate for its effective antiviral efficacy and favorable drug-like profiles.

关键词： HIV-1 Reverse transcriptase Dihydrothiopyrano[3,2-d]pyrimidine Antiviral agent

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