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Phase field modeling of ferroelastic variant switching in yttria-stabilized t'zirconia with strain gradient elasticity and interface tension

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Science China(Technological Sciences) 2024年第5期67卷 1443-1457页

作者： zhou QianQian WEI YueGuang zhou YiChun YANG li College of Engineering BIC-ESATPeking UniversityBeijing100871China School of Advanced Materials and Nanotechnology Xidian UniversityXi’an710126China Frontier Research Center of Thin Films and Coatings for Device Applications Academy of Advanced Interdisciplinary ResearchXidian UniversityXi’an710126China

The 6–8 wt%yttria-stabilized zirconia with a tetragonal structure(t’-YSZ)is extensively employed in thermal barrier *** exceptional fracture toughness of t’-YSZ can be attributed to its distinctive ferroelastic toughening *** and interface tension play a critical role in ferroelastic variant switching at the micro-and *** paper presents an original thermodynamically consistent phase field(PF)theory for analyzing ferroelastic variant switching at the micro-and nano-scale of t’-*** theory incorporates strain gradient elasticity using higher-order elastic energy and interface tension tensor via geometric nonlinearity to represent biaxial tension resulting from interface ***,a mixed-type formulation is employed to implement the higher-order theory through the finite element *** an interface in equilibrium,the effects of strain gradient elasticity result in a more uniform distribution of stresses,whereas the presence of interface tension tensor significantly amplifies the stress magnitude at the *** introduction of an interface tension tensor increases the maximum value of stress at the interface by a factor of 4 to *** nucleation and evolution of variants at a pre-existing crack tip in a mono-phase t’-YSZ have also been *** strain gradient elasticity is capable of capturing the size effect of ferroelastic variant switching associated with microstructures in ***,when the grain size approaches that of the specimen,the critical load required for variant switching at the crack tip increases,resulting in greater dissipation of elastic energy during ferroelastic variant ***,the interface tension accelerates the evolution of *** presented framework exhibits significant potential in modeling ferroelastic variant switching at the micro-and nano-scale.

关键词： thermodynamics strain gradient elasticity interface tension phase field method ferroelastic variant switching

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Investigating the Logical Capability of Graph Neural Networks via the Connection to C_(2)

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Data Intelligence 2024年第3期6卷 720-748页

作者： Zhangquan zhou Shijiao tang School of Command and Control Engineering Army Engineering University of PLA Nanjing 210001China School of Information Science and Engineering Nanjing Audit University Jinshen College Nanjing 210023China

Graph neural networks(GNNs)have garnered substantial application across a spectrum of real-world scenarios due to their remarkable ability to handle data organized in the form of ***,the full extent of GNNs'computational properties and logical capability remains a subject of ongoing *** study undertakes an exploration of the logical capabilities intrinsic to GNNs,approaching the matter from a theoretical *** this pursuit,a pivotal connection is established between GNNs and a specific fragment of first-order logic known as C_(2),which serves as a logical framework for modeling graph *** research further amplifies this discourse,introducing a subcategory of GNNs named ACR-GNN,illustrating that GNNs are capable of emulating the evaluation process of unary C,*** on these insights,we introduce an innovative version of GNN architectures capable of dealing with general C,*** attain this,we employ a mechanism known as message passing for GNN *** proposed GNN adaptations allow for simultaneous updating of node and node pair features,thereby enabling the management of both unary and binary C,*** prove that the proposed models exhibit the equivalent expressiveness to C_(2).This underpins the profound alignment between the logical capability of GNNs and the inherent nature of the logical language C,.We conduct several experiments on both of synthetic and real-world datasets to support our *** the experiments,we verify that our suggested models outperform both ACR-GNN and a commonly used model,GIN,when it comes to evaluating C,formulas.

关键词： Graph neural networks Logical capabilities C_(2)logical language

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Microwave irradiation-induced alterations in physicochemical properties and methane adsorption capability of coals:An experimental study using carbon molecular sieve

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Chinese Journal of Chemical Engineering 2024年第4期68卷 165-180页

作者： Xuexiang Fu Xing tang Yi Xu Xintao zhou Dengfeng Zhang Faculty of Chemical Engineering Kunming University of Science and TechnologyKunming 650500China

In order to comprehend the applicability of microwave irradiation for recovering coalbed methane,it is necessary to evaluate the microwave irradiation-induced alterations in coals with varying levels of *** this work,the carbon molecular sieve combined with KMnO_(4)oxidation was selected to fabricate carbon molecular sieve with diverse oxidation degrees,which can serve as model substances toward ***,the microwave irradiation dependences of pores,functional groups,and highpressure methane adsorption characteristics of model substances were *** results indicated that microwave irradiation causes rearrangement of oxygen-containing functional groups,which could block the micropores with a size of 0.40-0.60 nm in carbon molecular sieve;meanwhile,naphthalene and phenanthrene generated by macro-molecular structure pyrolysis due to microwave irradiation could block the micropores with a size of 0.70-0.90 *** alterations in micropore structure weaken the saturated methane adsorption capacity of oxidized carbon molecular sieve by 2.91%-23.28%,suggesting that microwave irradiation could promote methane ***,the increased mesopores found for oxidized carbon molecular sieve after microwave irradiation could benefit CH4 *** summary,the oxidized carbon molecular sieve can act as model substances toward coals with different ***,microwave irradiation is a promising technology to enhance coalbed methane recovery.

关键词： Microwave irradiation Physicochemical property Coal matrix Adsorption Carbon molecular sieve

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Source apportionment of PM_(2.5)using PMF combined online bulk and single-particle measurements:Contribution of fireworks and biomass burning

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Journal of Environmental Sciences 2024年第2期136卷 325-336页

作者： Yanjing Zhang Wenshuai li Lei li Mei li Zhen zhou Jianzhen Yu Yang zhou Frontier Science Center for Deep Ocean Multispheres and Earth System(FDOMES)and Physical Oceanography Laboratory Ocean University of ChinaQingdaoShandong 266100China College of Oceanic and Atmospheric Sciences Ocean University of ChinaQingdaoShandong 266100China Institute of Atmospheric Environment Safety and Pollution Control Jinan UniversityGuangdong 510632China Institute of Environment Hong Kong University of Science and TechnologyClear Water BayKowloonHong KongChina Department of Chemistry Hong Kong University of Science and TechnologyClear Water BayKowloonHong KongChina Division of Environment The Hong Kong University of Science and TechnologyClear Water BayKowloonHong KongChina

Fireworks(FW)could significantly worsen air quality in short term during *** to similar tracers with biomass burning(BB),the fast and precise qualification of FW and BB is still *** this study,online bulk and single-particle measurements were combined to investigate the contributions of FW and BB to the overall mass concentrations of PM_(2.5)and specific chemical species by positive matrix factorization(PMF)during the Chinese New Year in Hong Kong in February *** combined information,fresh/aged FW(abundant ^(140)K_(2)NO_(3)^(+)and ^(213)K_(3)SO_(4)^(+)formed from ^(113)K_(2)Cl^(+)discharged by fresh FW)can be extracted from the fresh/aged BB sources,in addition to the Second Aerosol,Vehicles+Road Dust,and Sea Salt *** contributions of FW and BB were investigated during three high particle matter episodes influenced by the pollution transported from the Pearl River Delta *** fresh BB/FW contributed 39.2%and 19.6%to PM_(2.5)during the Lunar Chinese New Year ***,the contributions of aged FW/BB enhanced in the last two episodes due to the aging process,evidenced by high contributions from secondary ***,the fresh BB/FW showed more significant contributions to nitrate(35.1%and15.0%,respectively)compared with sulfate(25.1%and 5.9%,respectively)and OC(14.8%and11.1%,respectively)on *** comparison,the aged FW contributed more to sulfate(13.4%).Overall,combining online bulk and single-particle measurement data can combine both instruments’advantages and provide a new perspective for applying source apportionment of aerosols using PMF.

关键词： Source apportionment PMF Online bulk measurements Single particle analysis Fireworks Biomass burning

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Mechanisms of fracture propagation from multi-cluster using a phase field based HMD coupling model in fractured reservoir

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Petroleum Science 2024年第3期21卷 1829-1851页

作者： Yun-Jin Wang Bo Wang Hang Su Tu Chang Ren-Cheng Dong li-Zhe li Wei-Yu tang Ting-Xue Jiang Fu-Jian zhou State Key Laboratory of Petroleum Resources and Engineering China University of Petroleum-BeijingBejing2249China China University of Petroleum-Beijing at Karamay Karamay834000XinjiangChina China National Oil and Gas Exploration and Development Corporation Ltd. Beijing100034China University of Texas at Austin United States SINOPEC Research Institute of Petroleum Engineering Beijing100101China

Natural fractures(NFs)are common in shale and tight reservoirs,where staged multi-cluster fracturing of horizontal wells is a prevalent technique for reservoir *** NFs and stress interference are recognized as significant factors affecting hydraulic fracture(HF)propagation,the combined influence of these factors remains poorly *** address this knowledge gap,a novel coupled hydromechanical-damage(HMD)model based on the phase field method is developed to investigate the propagation of multi-cluster HFs in fractured *** comprehensive energy functional and control functions are established,while incorporating dynamic fluid distribution between multiple perforation clusters and refined changes in rock mechanical parameters during hydraulic *** HMD coupled multi-cluster HF propagation model investigates various scenarios,including single HF and single NF,reservoir heterogeneity,single HF and NF clusters,and multi-cluster HFs with NF *** results show that the HMD coupling model can accurately capture the impact of approach angle(θ),stress difference and cementation strength on the interaction of HF and *** criterion of the open and cross zones is not *** NF angle(a)is not a decisive parameter to discriminate the *** to the relationship between approach angle(θ)and NF angle(a),the contact relationship of HF can be divided into three categories(θ=a,θa).The connected NF can increase the complexity of HF by inducing it to form branch fracture,resulting in a fractal dimension of HF as high as2.1280 at angles of±45°.Inter-fracture interference from the heel to the toe of HF shows the phenomenon of no,strong and weak ***,under the influence of NFs,distant HFs from the injection can become dominant ***,as a gradually increases,inter-fracture stress interference becomes the primary factor influencing HF propagation,gradually superseding the dominance of NF

关键词： HMD coupling Phase field Natural fracture Flow distribution Hydraulic fracturing Inter-fracture interference

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Interwoven grain boundary makes homoporous and crystalline polymer membrane with high mechanical stability

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Science China Chemistry 2024年第11期67卷 3503-3504页

作者： lianshan li Zhiyong tang CAS Key Laboratory of Nanosystem and Hierarchical Fabrication CAS Center for Excellence in Nanoscience National Centre for Nanoscience and Technology University of Chinese Academy of Sciences

Membrane separation is widely used in industry to recover and capture gases or to purify liquids. Compared with conventional separation methods, such as cryogenic and adsorptive or absorptive separation, membrane separation is an energy-efficient and environment-friendly technique that occupies less space and can be operated in a continuous mode [1].

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Introducing cerium into TiO_(2)@MnO_(x) hollow-sphere structure for highly active photothermocatalysis degradation of ethyl acetate and NO under H_(2)O at low temperature

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Journal of Rare Earths 2024年第5期42卷 889-898,I0003页

作者： Yinming Fan Yanhong Wang Morui li Yinian Zhu Zongqiang Zhu Shengpeng Mo lihao Zhang Shen tang Xiaobin zhou Yanping Zhang Collaborative Innovation Center for Water Pollution Control and Water Safety in Karst Area Guilin University of TechnologyGuilin541004China The Guangxi Key Laboratory of Theory and Technology for Environmental Pollution Control.Guilin University of Technology.Guilin 541004China Technical Innovation Center of Mine Geological Environmental Restoration Engineering in Southern Karst Area Nanning530022China

The CeO_(2)-TiO_(2)@MnO_(x) catalyst was prepared by the co-precipitation method and applied to the photothermocatalysis system of ethyl acetate and NO simultaneous degradation under H_(2)O at low temperature,which introduced Ce into TiO_(2)@MnO_(x) hollow sptrera *** optimum TiO_(2)/MnO_(x) ratio and Ce introducing amount were obtained in the *** of them,the NO and ethyl acetate conversion percentage of TiO_(2)@MnO_(x)(n_(Mn):n_(Ti)=40:40)is 74%and 62%at 240℃,***_(2)-TiO_(2)@MnO_(x)(n_(Mn):n_(Ce)=1:1)exhibits the best catalytic performance,its efficiency for NO conversion is 83%and the conversion of ethyl acetate reaches 72%at 240℃.In addition,it is confirmed that the Cedoped nanocomposites have more uniform dispersion through various characterization and analysis ***,these catalysts have a large specific surface area as well as a large number of surface-active oxygen and oxygen *** can further improve the catalytic performance based on the adjusted ratio of active ***,this work investigated the relationship between multi-metal interactions and catalytic performance in the presence of H_(2)***,the possible reaction pathways for the simultaneous removal of NO and ethyl acetate were explored in our system.

关键词： Photothermocatalysis Ethyl acetate NO Low temperature H_(2)O Rare earths

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Microglial Calcium Homeostasis Modulator 2:Novel Anti-neuroinflammation Target for the Treatment of Neurodegenerative Diseases

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Neuroscience Bulletin 2024年第4期40卷 553-556页

作者： Yuan Dong li tang Neuropsychiatry Research Institute The Affiliated Hospital of Qingdao UniversityQingdao UniversityQingdao266000China Qingdao Institute of Measurement Technology Qingdao266000China

Neurodegenerative diseases,including Alzheimer's disease(AD)and Parkinson's disease(PD),are the most common causes of *** drugs for such diseases can only provide temporary help with the symptoms,leaving the discovery of new drugs urgently in *** cells are the local immune cells in the nervous system and have been recognized as the key player in neuroinflammation that contributes to the process of neurodegeneration[1],raising the discussion of aiming microglia as the therapeutic target for clinical treatment of neurodegenerative diseases.

关键词： inflammation degenerative drugs

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Covalency competition induced selective bond breakage and surface reconstruction in manganese cobaltite towards enhanced electrochemical charge storage

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Green Energy & Environment 2024年第5期9卷 909-918页

作者： Peng Gao Pei tang Ying Mo Peitao Xiao Wang zhou Shi Chen Hongliang Dong Ziwei li Chaohe Xu Jilei liu College of Materials Science and Engineering Hunan Joint International Laboratory of Advanced Materials and Technology for Clean EnergyHunan Province Key Laboratory for Advanced Carbon Materials and Applied TechnologyHunan UniversityChangshaHunan410082China Department of Materials Science and Engineering National University of Defense TechnologyChangshaHunan410073China Joint Key Laboratory of the Ministry of Education Institute of Applied Physics and Materials EngineeringUniversity of MacaoAvenida da UniversidadeTaipaMacao999078China Center for High Pressure Science and Technology Advanced Research PudongShanghai201203China College of Aerospace Engineering Chongqing UniversityChongqing400044China

Manganese cobaltite(MnCo_(2)_(4))is a promising electrode material because of its attractive redox chemistry and excellent charge storage *** previous work demonstrated that the octahedrally-coordinated Mn are prone to react with the hydroxyl ions in alkaline electrolyte upon electrochemical cycling and separates on the surface of spinel to reconstruct into d-MnO_(2) nanosheets irreversibly,thus results in a change of the reaction mechanism with Kþion ***,the low capacity has greatly limited its practical ***,we found that the tetrahedrally-coordinated Co_(2) þions were leached when MnCo_(2)_(4) was equilibrated in 1 mol L^(-1) HCl solution,leading to the formation of layered CoOOH on MnCo_(2)_(4) surface which is originated from the covalency competition induced selective breakage of the CoT–O bond in CoT–O–CoO and subsequent rearrangement of free Co_(6) *** as-formed CoOOH is stable upon cycling in alkaline electrolyte,exhibits conversion reaction mechanism with facile proton diffusion and is free of massive structural evolution,thus enables utilization of the bulk electrode material and realizes enhanced speciﬁc capacity as well as facilitated charge transfer and ion *** general,our work not only offers a feasible approach to deliberate modiﬁcation of MnCo_(2)_(4)'s surface structure,but also provides an in-depth understanding of its charge storage mechanism,which enables rational design of the spinel oxides with promising charge storage properties.

关键词： Manganese cobaltite Tetrahedrally-coordinated Co^(2+)leaching Selective bond breakage Surface reconstruction Charge storage mechanisms

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Optimal Timing of Business Conversion for Solvency Improvement

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Acta Mathematicae Applicatae Sinica 2024年第3期40卷 744-757页

作者： Peng li Ming zhou School of Finance Nanjing University of Finance and EconomicsNanjing 210023China Center for Applied Statistics and School of Statistics Renmin University of ChinaBeijing 100872China

In this paper,we study the optimal timing to convert the risk of business for an insurance company in order to improve its *** cash flow of company evolves according to a jump-diffusion *** conversion option offers the company an opportunity to transfer the jump risk business *** exchange for this option,the company needs to pay both fixed and proportional transaction *** proportional cost can also be seen as the profit loading of the jump risk *** formulated this problem as an optimal stopping *** solving this stopping problem,we find that the optimal timing of business conversion mainly depends on the profit loading of the jump risk business.A larger profit loading would make the conversion option *** fixed cost,however,only delays the optimal timing of business *** the end,numerical results are provided to illustrate the impacts of transaction costs and environmental parameters to the optimal strategies.

关键词： optimal stopping jump-diffusion process conversion option

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