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Theoretical study on the synergistic mechanism of Fe-Mn in sodium-ion batteries

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PARTICUOLOGY 2024年第10期93卷 284-290页

作者： you, yang Yuan, Mingliang Cent South Univ Sch Mineral Proc & Bioengn Changsha 410083 Peoples R China

This article conducts first-principles calculations to initially explore the construction of two configurations, NaFeO2 2 (NFO) and NaMnO2 2 (NMO), and studies the mixing enthalpies under different Fe-Mn ratios. The results indicate that NaFe3/8Mn5/8O2 3/8 Mn 5/8 O 2 (NFMO) exhibits the most thermodynamically stable structure. Subsequent calculations on the mixing enthalpies and volume changes during the sodium extraction process for NFO, NMO, and NFMO configurations are presented, along with the partial density of states (PDOS) and Bader charges of transition metals (TM) and oxygen. These calculations reveal the synergistic mechanism of Fe and Mn. Fe and Mn can engage in more complex electron exchanges during sodium extraction, optimizing the internal electron density distribution and overall charge balance, thereby stabilizing the crystal structure and reducing the migration of Fe3 & thorn; 3 & thorn; to the sodium layers during deep sodium extraction. The interaction between Fe's 3d electrons and Mn's 3d electrons through the shared oxygen atoms' 2p orbitals occurs in the Fe-Mn-O network. This interaction can lead to a rebalancing of the electron density around Mn3+ 3 + atoms, mitigating the asymmetric electron density distribution caused by the d 4 configuration of the lone Mn3+ 3 + and suppressing the Jahn-Teller effect of Mn3 & thorn;. 3 & thorn; . Moreover, the synergistic effects between Fe and Mn can provide a more balanced charge distribution, reducing extreme changes to the charge state of oxygen atoms and decreasing the irreversible oxygen release caused by anionic redox reactions during deep sodium extraction, thereby enhancing the material's stability. This in-depth study of the interaction mechanism at the microscopic level when co- doping Fe and Mn offers valuable insights for the rational design and development of high-performance cathode materials. (c) 2024 Chinese Society of Particuology and Institute of Process Engineering, Chinese Academy of Sci

关键词： First-principles calculations Sodium-ion batteries Layered oxides NaFe 3/8 Mn 5/8 TOTAL-ENERGY CALCULATIONS CATHODE PERFORMANCE LI

KSKV:Key-Strategy for Key-Value Data Collection with Local Differential Privacy

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Computer Modeling in Engineering & Sciences 2024年第6期139卷 3063-3083页

作者： Dan Zhao yang you Chuanwen Luo Ting Chen yang Liu Artificial Intelligence Development Research Center Institute of Scientific and Technical Information of ChinaBeijing100038China Industry Development Department NSFOCUS Inc.BeijingChina School of Information Science and Technology Beijing Forestry UniversityBeijing100083China School of Computer Science and Engineering University of Electronic Science and Technology of ChinaChengdu610054China Institute of Computing Technology China Academy of Railway Sciences Corporation LimitedBeijing10081China

In recent years,the research field of data collection under local differential privacy(LDP)has expanded its focus fromelementary data types to includemore complex structural data,such as set-value and graph ***,our comprehensive review of existing literature reveals that there needs to be more studies that engage with key-value data *** studies would simultaneously collect the frequencies of keys and the mean of values associated with each ***,the allocation of the privacy budget between the frequencies of keys and the means of values for each key does not yield an optimal utility *** the importance of obtaining accurate key frequencies and mean estimations for key-value data collection,this paper presents a novel framework:the Key-Strategy Framework forKey-ValueDataCollection under ***,theKey-StrategyUnary Encoding(KS-UE)strategy is proposed within non-interactive frameworks for the purpose of privacy budget allocation to achieve precise key frequencies;subsequently,the Key-Strategy Generalized Randomized Response(KS-GRR)strategy is introduced for interactive frameworks to enhance the efficiency of collecting frequent keys through group-anditeration *** strategies are adapted for scenarios in which users possess either a single or multiple key-value ***,we demonstrate that the variance of KS-UE is lower than that of existing *** claims are substantiated through extensive experimental evaluation on real-world datasets,confirming the effectiveness and efficiency of the KS-UE and KS-GRR strategies.

关键词： Key-value local differential privacy frequency estimation mean estimation data perturbation

A versatile model with three-dimensional triangular lattice for unconventional transport and various topological effects

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National Science Review 2024年第1期11卷 204-214页

作者： Jing-yang you Gang Su Yuan Ping Feng Department of Physics National University of Singapore Kavli Institute for Theoretical Sciences and CAS Center for Excellence in Topological Quantum Computation University of Chinese Academy of Sciences Centre for Advanced 2D Materials National University of Singapore

The finite Berry curvature in topological materials can induce many subtle phenomena, such as the anomalous Hall effect(AHE), spin Hall effect(SHE), anomalous Nernst effect(ANE), non-linear Hall effect(NLHE) and bulk photovoltaic effects. To explore these novel physics as well as their connection and coupling, a precise and effective model should be developed. Here, we propose such a versatile model—a 3D triangular lattice with alternating hopping parameters, which can yield various topological phases,including kagome bands, triply degenerate fermions, double Weyl semimetals and so on. We reveal that this special lattice can present unconventional transport due to its unique topological surface states and the aforementioned topological phenomena, such as AHE, ANE, NLHE and the topological photocurrent effect. In addition, we also provide a number of material candidates that have been synthesized experimentally with this lattice, and discuss two materials, including a non-magnetic triangular system for SHE, NLHE and the shift current, and a ferromagnetic triangular lattice for AHE and ANE. Our work provides an excellent platform, including both the model and materials, for the study of Berry-curvature-related physics.

关键词： three-dimensional triangular lattice different topological phases various topological effects Berry curvature

Superconducting,Topological,and Transport Properties of Kagome Metals CsTi_(3)Bi_(5)and RbTi_(3)Bi_(5)

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Research 2024年第2期2023卷 753-762页

作者： Xin-Wei Yi Zheng-Wei Liao Jing-yang you Bo Gu Gang Su School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China Department of Physics Faculty of ScienceNational University of Singapore117551Singapore Kavli Institute for Theoretical Sciences and CAS Center for Excellence in Topological Quantum ComputationUniversity of Chinese Academy of SciencesBeijing 100190China

The recently discovered ATi_(3)Bi_(5)(A=Cs,Rb)exhibit intriguing quantum phenomena including superconductivity,electronic nematicity,and abundant topological ***_(3)Bi_(5)present promising platforms for studying kagome superconductivity,band topology,and charge orders in parallel with *** this work,we comprehensively analyze various properties of ATi_(3)Bi_(5)covering superconductivity under pressure and doping,band topology under pressure,thermal conductivity,heat capacity,electrical resistance,and spin Hall conductivity(SHC)using first-principles *** superconducting transition temperature(Tc)of CsTi_(3)Bi_(5)and RbTi_(3)Bi_(5)at ambient pressure are about 1.85 and 1.92 *** subject to pressure,Tc of CsTi_(3)Bi_(5)exhibits a special valley and dome shape,which arises from quasi-two-dimensional compression to three-dimensional isotropic compression within the context of an overall decreasing ***,Tc of RbTi_(3)Bi_(5)can be effectively enhanced up to 3.09 K by tuning the kagome van Hove singularities(VHSs)and flat band through *** can also induce abundant topological surface states at the Fermi energy(EF)and tune VHSs across ***,our transport calculations are in excellent agreement with recent experiments,confirming the absence of charge density ***,SHC of CsTi_(3)Bi_(5)can reach up to 226h·(e·Ω·cm)^(-1)at *** work provides a timely and detailed analysis of the rich physical properties for ATi_(3)Bi_(5),offering valuable insights for further experimental verifications and investigations in this field.

关键词： doping superconductivity conductivity

Topological Confinement in Reversibly Interlocked Polymer Networks

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Chinese Journal of Polymer Science 2024年第2期42卷 133-140,I0004页

作者： Wan-Ting Dai Zhen-Hua Xie Yu-Bin Ke yang you Min-Zhi Rong Ming-Qiu Zhang Key Laboratory for Polymeric Composite and Functional Materials of Ministry of Education GD HPPC LabIGCMESchool of ChemistrySun Yat-sen UniversityGuangzhou510275China Spallation Neutron Source Science Center China Spallation Neutron SourceDongguan523803China Institute of High Energy Physics Chinese Academy of SciencesBeijing100049China College of Materials and Metallurgy Guizhou UniversityGuiyang550025China

Recently, we reported a series of reversibly interlocked polymer networks(RILNs), whose mechanical robustness and functionalities improvement was believed to be derived from topological interlocking of two sub-networks, although the direct evidence for the deduction is still lacking. Herein, a specially-designed RILNs system, in which the inter-component hydrogen bonds can be shielded as needed, was prepared and used to study the micro-structures of RILNs, aiming to verify the existence of mechanical interlocking in RILNs. By changing the pH of the swelling solvent, the effect exerted by the inter-component non-covalent bonds was eliminated, so detailed information of the networks structure was exposed. The small angle X-ray scattering(SAXS) and small-angle neutron scattering(SANS) results indicated that swelling-induced structural evolution of the two sub-networks mutually affected each other, even when the inter-component hydrogen bonds were absent, proving the presence of topological interlocking. The findings may help to draw a more accurate physical image and reveal the detailed structureproperty relationship of RILNs.

关键词： Reversibly interlocked polymer networks Small angle X-ray scattering Small-angle neutron scattering Topological confinement

Effect of quantitative consciousness index on seizure parameters during electroconvulsive therapy in patients with major depressive disorder

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World Journal of Psychiatry 2024年第9期14卷 1375-1385页

作者： Bang-Shu Zhao Bi Deng Qi-Bin Chen Xiao Li you yang Su Min Department of Anesthesiology The First Affiliated Hospital of Chongqing Medical UniversityChongqing 400016China Department of Anesthesiology The First Clinical College of Chongqing Medical UniversityChongqing 400016China Department of Psychiatry The First Affiliated Hospital of Chongqing Medical UniversityChongqing 400016China

BACKGROUND Electroconvulsive therapy(ECT)is both an effective treatment for patients with major depressive disorder(MDD)and a noxious *** some studies have explored the effect of sedation depth on seizure parameters in ECT,there is little research on the noxious stimulation response to *** this study,we used two electroencephalography(EEG)-derived indices,the quantitative consci-ousness(qCON)index and quantitative nociceptive(qNOX)index,to monitor sedation,hypnosis,and noxious stimulation response in patients with MDD undergoing acute *** Patients with MDD(n=24)underwent acute bilateral temporal ECT under propofol *** ECT,the patients were randomly divided into three groups according to qCON scores(qCON60-70,qCON50-60,and qCON40-50).Continuous qCON monitoring was performed 3 minutes before and during ECT,and the qCON,qNOX,vital signs,EEG seizure parameters,and complications during the recovery period were *** 24-item Hamilton Rating Scale for Depression,Zung’s Self-rating Depression Scale,and Montreal Cognitive Asse-ssment scores were evaluated before the first ECT session,after the fourth ECT session,and after the full course of *** A total of 193 ECT sessions were performed on 24 *** qCON index significantly affected the EEG seizure duration,peak mid-ictal amplitude,and maximum heart rate during ECT(P0.05).CONCLUSION Electrical stimulation at a qCON index of 60-70 resulted in better EEG seizure parameters without increasing complications in patients with MDD undergoing b

关键词： Electroconvulsive therapy Propofol Nociception Depression Electroencephalogram

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区块链技术在临床护理中的应用进展

中华护理杂志 2024年第2期59卷 250-256页

作者：陈利杨又绍兴文理学院医学院绍兴市312000 绍兴文理学院心理健康教育中心绍兴市312000

区块链技术融合了分布式记账、点对点传输、密码学、智能合约、共识算法等一系列复杂技术,能够提供控制、储存、共享和管理数据的服务。目前,临床护理数据呈指数级增长,而区块链技术可以很好地用来处理大量临床护理数据,并为临床护理带... 详细信息

区块链技术融合了分布式记账、点对点传输、密码学、智能合约、共识算法等一系列复杂技术,能够提供控制、储存、共享和管理数据的服务。目前,临床护理数据呈指数级增长,而区块链技术可以很好地用来处理大量临床护理数据,并为临床护理带来诸多优势。该研究对区块链技术在临床护理中的应用现状进行综述,重点关注应用类型、优势以及应用过程的困难和挑战,并提出了设计符合规范和标准的数据模型及格式等建议,为区块链技术在国内临床护理中的应用和发展提供决策支持,进而提升护理服务质量。

关键词：区块链技术临床护理应用现状综述

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结合对比学习的图像指导增强视觉问答模型

计算机工程与应用 2024年第7期60卷 157-166页

作者：杨有姚露重庆师范大学重庆国家应用数学中心重庆401331 重庆师范大学计算机与信息科学学院重庆401331

针对现有的注意力编解码视觉问答模型存在两个问题:单一形态图像特征包含视觉信息不完整,以及对问题指导过度依赖,提出结合对比学习的图像指导增强视觉问答模型。所提模型包含一种双特征视觉解码器,它基于Transformer语言编码器实现,将... 详细信息

针对现有的注意力编解码视觉问答模型存在两个问题:单一形态图像特征包含视觉信息不完整,以及对问题指导过度依赖,提出结合对比学习的图像指导增强视觉问答模型。所提模型包含一种双特征视觉解码器,它基于Transformer语言编码器实现,将单一的图像特征扩展为区域和网格两种形态,根据不同形态特征的相对位置构建互补的空间关系,以解决第一问题。所提模型包含一种视觉引导的语言解码器,将视觉解码的两种图像特征与问题特征二次匹配,通过平行门控引导注意力,自适应地修正不同视觉信息对问题的引导比例,以解决第二问题。所提模型,在训练过程中,引入对比学习损失函数,通过对比模型推理时不同模态特征在隐空间内的相似度,获取更相近的互信息。所提模型,在VQA 2.0、COCO-QA和GQA数据集上分别取得73.82%、72.49%和57.44%的总体准确率,较MCAN模型分别提高2.92个百分点、4.41个百分点和0.8个百分点。大量消融实验和可视化分析证明了模型的有效性。实验结果表明,所提模型能够获取更相关的语言-视觉信息,并且对不同类型的问题样本具有更强的泛化能力。

关键词：视觉问答注意力机制相对位置门控机制对比学习

Bioorthogonal microglia-inspired mesenchymal stem cell bioengineering system creates livable niches for enhancing ischemic stroke recovery via the hormesis

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Acta Pharmaceutica Sinica B 2024年第3期14卷 1412-1427页

作者： Jianpei Xu Yinzhe Sun yang you Yuwen Zhang Dan Huang Songlei Zhou Yipu Liu Shiqiang Tong Fenfen Ma Qingxiang Song Chengxiang Dai Suke Li Jigang Lei Zhihua Wang Xiaoling Gao Jun Chen Shanghai Pudong Hospital&Department of Pharmaceutics School of PharmacyFudan UniversityShanghai 201203China Key Laboratory of Smart Drug Delivery Ministry of EducationSchool of PharmacyFudan UniversityShanghai 201203China Department of Pharmacology and Chemical Biology State Key Laboratory of Oncogenes and Related GenesShanghai Universities Collaborative Innovation Center for Translational MedicineShanghai Jiao Tong University School of MedicineShanghai 200025China Department of Emergency Shanghai Pudong HospitalFudan University Pudong Medical CenterShanghai 201399China Institute of Science and Technology for Brain-Inspired Intelligence&Department of Neurology Fudan UniversityShanghai 201203China Department of Rehabilitation Medicine Huashan HospitalFudan UniversityShanghai 201203China Daxing Research Institute University of Science and Technology BeijingBiomedical Industry BaseZhongguancun Science and Technology ParkBeijing 102600China Cellular Biomedicine Group Inc. Shanghai 201210China

Mesenchymal stem cells(MSCs)experience substantial viability issues in the stroke infarct region,limiting their therapeutic efficacy and clinical *** levels of deadly reactive oxygen radicals(ROS)and proinflammatory cytokines(PC)in the infarct milieu kill transplanted MSCs,whereas low levels of beneficial ROS and PC stimulate and improve engrafted MSCs’*** on the intrinsic hormesis effects in cellular biology,we built a microglia-inspired MSC bioengineering system to transform detrimental high-level ROS and PC into vitality enhancers for strengthening MSC *** system is achieved by bioorthogonally arming metabolic glycoengineered MSCs with microglial membrane-coated nanoparticles and an antioxidative extracellular protective *** this system,extracellular ROSscavenging and PC-absorbing layers effectively buffer the deleterious effects and establish a microlivable niche at the level of a single MSC for ***,the infarct’s inanimate milieu is transformed at the tissue level into a new living niche to facilitate *** engineered MSCs achieved viability five times higher than natural MSCs at seven days after transplantation and exhibited a superior therapeutic effect for stroke recovery up to 28 *** vitality-augmented system demonstrates the potential to accelerate the clinical translation of MSC treatment and boost stroke recovery.

关键词： Ischemic stroke Mesenchymal stem cell Cell engineering Hormesis effect Bioorthogonal chemistry Microglia Reactive oxygen spices Proinflammatory cytokines