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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 Li 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

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Microstructural characterization and mechanical properties of(TiC+TiB)/TA15 composites prepared by an in-situ synthesis method

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China Foundry 2024年第2期21卷 168-174页

作者： Zhi-yong Zhang Jiao-jiao Cheng Jia-qi Xie shi-bing liu Kun shi Jun Zhao Shenyang Research Institute of Foundry Co. Ltd.CAMShenyang 110022China National Key Laboratory of Advanced Casting Technologies Shenyang 110022China

Titanium matrix composites reinforced with ceramic particles are considered a promising engineering material due to their combination of high specific strength,low density,and high *** this study,the TA15-based composites reinforced with a volume fraction of 10% to 25%(TiB+TiC)were prepared using powder metallurgy and casting *** characterization and phase constitution were examined using optical microscopy(OM),scanning electron microscopy(SEM),and X-ray diffraction(XRD).In addition,the microhardness,room temperature(RT)and high temperature(HT)tensile properties of the composites were *** revealed that the reinforcements are distributed uniformly even in the composites with a high volume of TiB and ***,as the volume fraction exceeds 15%,TiB and TiC particles become coarsening and exhibit rod-like and dendritic-like *** increases gradually from 321.2 HV for the base alloy to a maximum of 473.3 HV as the reinforcement increases to 25vol.%.Tensile test results indicate that a reinforcement volume fraction above 20% is beneficial for enhancing tensile strength and yield strength at high temperatures,but it has an adverse effect on room temperature ***,if the reinforcement volume fraction is below 20%,it can improve high-temperature elongation when the temperature exceeds 600℃.

关键词： titanium matrix composites microstucture microhardness tensile properties in-situ synthesis

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Triclosan-conjugated,Lipase-responsive Polymeric Micelles for Eradication of Staphylococcal Biofilms

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Chinese Journal of Polymer Science 2024年第6期42卷 718-728页

作者： Yan-Qiang Huang Yuan-Feng Li yong liu Lin-Qi shi Guangxi Technology Innovation Cooperation Base of Prevention and Control Pathogenic Microbes with Drug Resistance Youjiang Medical University for NationalitiesBaise533000China Translational Medicine Laboratory the First Affiliated Hospital of Wenzhou Medical UniversityWenzhou325035China Wenzhou Institute University of Chinese Academy of SciencesWenzhou325001China State Key Laboratory of Medicinal Chemical Biology Key Laboratory of Functional Polymer Materials of Ministry of Educationand Institute of Polymer ChemistryCollege of ChemistryNankai UniversityTianjin300071China

Bacterial biofilms present a significant challenge in treating drug-resistant infections,necessitating the development of innovative *** this study,we introduce triclosan-conjugated,lipase-responsive polymeric micelles designed to exploit biofilm properties and serve as a responsive drug delivery *** micelles were created using an amphiphilic block polymer synthesized via ring-opening polymerization ofε-caprolactone(CL)and triclosan-containing cyclic trimethylene carbonate(MTC-Tri).Poly(ethylene glycol)(PEG-OH)acted as the macro-initiator,resulting in micelles with a PEG shell that facilitated their penetration into bacterial *** important advantage of our micelles lies in their interaction with local bacterial lipases within *** lipases triggered rapid micelle degradation,releasing triclosan in a controlled *** liberated triclosan effectively eliminated bacteria embedded in the ***,the triclosan-conjugated micelles displayed minimal toxicity to murine fibroblasts,indicating their biocompatibility and *** finding emphasizes the potential application of these micelles in combatting drug resistance observed in bacterial *** triclosan-conjugated,lipase-responsive polymeric micelles exhibit promising characteristics for addressing drug resistance in bacterial *** harnessing biofilm properties and implementing a responsive drug delivery system,we seek to provide an effective solution in the fight against drug-resistant bacteria.

关键词： Self-assembly Polymer prodrug Ring-opening polymerization Biofilm eradication Cytotoxicity

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Colloid of Delaminated Layered Double Hydroxides:a Novel Type of LDH-based Catalyst

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Chemical Research in Chinese Universities 2010年第4期26卷 612-616页

作者： liu shi-yong Department of Chemistry Taizhou UniversityTaizhou 317000P.R.China Department of Chemistry Zhejiang UniversityHangzhou 310027P.R.China

The colloid of delaminated layered double hydroxides(LDHs), a new LDH-based catalyst, is described. The semi-heterogeneous delaminated colloidal MgPdA1-LDH, in which the total surface of catalytic site-bearing lamellae was rendered accessible for chemical reactivity, showed excellent catalysis toward Suzuki reaction. The turnover frequency of this catalyst for Suzuki reaction between bromobenzene and phenylboronic acid is about 8000 h^-1.

关键词： Layered double hydroxide(LDH) Colloid Delamination Suzuki reaction Semi-heterogeneous catalyst

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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 Li Jian Wu Dazhi Li 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

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Concise extraction and characterization of the pore-throat network in unconventional hydrocarbon reservoirs: A new perspective

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Petroleum Science 2024年第3期21卷 1474-1487页

作者： Shu-Heng Du yong-Min shi State Key Laboratory of Nonlinear Mechanics Institute of Mechanics Chinese Academy of Sciences School of Engineering Science University of Chinese Academy of Sciences School of Earth and Space Sciences Peking University

In this study, a new image-based method for the extraction and characterization of pore-throat network for unconventional hydrocarbon storage and exploitation is proposed. “Pore-throat solidity”, which is analogous to particle solidity, and a new method for automatic identification of pores and throats in tight sandstone oil reservoirs are introduced. Additionally, the “pore-throat combination” and “pure pore” are defined and distinguished by drawing the cumulative probability curve of the pore-throat solidity and by selecting an appropriate cutoff point. When the discrete grid set is recognized as a pore-throat combination, Legendre ellipse fitting and minimum Feret diameter are used. When the pore and throat grid sets are identified as pure pores, the pore diameter can be directly calculated. Using the new method, the analytical results for the physical parameters and pore radius agree well with most prior studies. The results comparing the maximum ball and the new model could also prove the accuracy of the latter's in micro and nano scales. The new model provides a more practical theoretical basis and a new calculation method for the rapid and accurate evaluation of the complex processes of oil migration.

关键词： Hydrocarbon exploitation Pore Throat Porous media Identification

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Biomimetic chitin hydrogel via chemical transformation

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Nano Research 2024年第2期17卷 771-777页

作者： Rui-Rui liu Qian-Qian shi Yu-Feng Meng yong Zhou Li-Bo Mao Shu-Hong Yu Division of Nanomaterials&Chemistry Hefei National Research Center for Physical Sciences at the MicroscaleDepartment of ChemistryInstitute of Biomimetic Materials&ChemistryAnhui Engineering Laboratory of Biomimetic MaterialsUniversity of Science and Technology of ChinaHefei 230026China College&Hospital of Stomatology Key Laboratory of Oral Diseases Research of Anhui ProvinceAnhui Medical UniversityHefei 230032China Department of Dental Implantology College&Hospital of StomatologyAnhui Medical UniversityHefei 230032China

Chitin hydrogel has been recognized as a promising material for various biomedical applications because of its biocompatibility and ***,the fabrication of strong chitin hydrogel remains a big challenge because of the insolubility of chitin in many solvents and the reduced chain length of chitin regenerated from *** herein introduce the fabrication of chitin hydrogel with biomimetic structure through the chemical transformation of chitosan,which is a water-soluble deacetylated derivative of *** reacetylation of the amino group in chitosan endows the obtained chitin hydrogel with outstanding resistance to swelling,degradation,extreme temperature and pH conditions,and organic *** chitin hydrogel has excellent mechanical properties while retaining a high water content(more than 95 wt.%).It also shows excellent antifouling performance that it resists the adhesion of proteins,bacteria,blood,and ***,as the initial chitosan solution can be feasibly frozen and templated by ice crystals,the chitin hydrogel structure can be either nacre-like or wood-like depending on the freezing method of the precursory chitosan *** to these anisotropic structures,such chitin hydrogel can exhibit anisotropic mechanics and mass transfer *** current work provides a rational strategy to fabricate chitin hydrogels and paves the way for its practical applications as a superior biomedical material.

关键词： chitin hydrogel biomimetic structure chemical stability mechanical strength antifouling

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Periodic Layered Structure Formed during Interfacial Reaction

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Journal of Iron and Steel Research(International) 2016年第11期23卷 1127-1133页

作者： Xian-man ZHANG Hong-feng LUO liu-yong shi Institute of Electrical and Mechanical Engineering Hainan University

A review of the periodic layered structure （PLS） formed during reactive diffusion was presented. The formation of PLS is a very interesting and complex phenomenon during the reactive diffusion process. It was firstly discovered occasionally. The formation of PLS has been reported in various solid state diffusion couples such as Zn/ Ni3 Si, Mg/SiO2, Zn/Cux Tiy and so on, and some controversial theoretical models and formation mechanism of PLS were put forward. However, there have been few reports about the PLS formed during hot dip. The development of PLS was reviewed, and the recent progress referring to the formation of PLS during the hot dip aluminizing of a no- vel Fe-Cr-B cast steel was especially introduced. However, not all of the borides could form PLS in their interracial reaction with molten Al. PLS only formed at the Cr-rich Fe2B/Al interface, while Mo-rich Fe2B fractured. A general qualitative description for the interracial reaction of Fe-Cr-B cast steel with molten Al was represented. Further inves- tigation on the constituents of the alternating phases and formation mechanism of PLS needs to be done. At last, the development trends of PLS were proposed.

关键词： periodic layered structure interfacial reaction reactive diffusion formation mechanism Fe-Cr-B cast steel

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Triaxial mechanical properties and precursors of instability damage in rocks with different laminar dip angles

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Journal of Mountain Science 2024年第2期21卷 648-661页

作者： SUN Xiaoming shi Fukun DING Jiaxu TAO Zhigang HE Linsen YANG liu ZHANG yong MIAO Chengyu Inner Mongolia Research Institute China University of Mining and Technology(Beijing)Beijing 100083China State Key Laboratory for Tunnel Engineering China University of Mining and Technology(Beijing)Beijing 100083China

To investigate the mechanical failure characteristics of volcanic breccia with different bedding dip angles in deep layers,triaxial compression experiments were conducted on specimens taken from volcanic rock layers in the Junggar Basin,*** changing the confining pressure,we compared the mechanical properties,acoustic emission characteristics,and fractal features of the acoustic emission sequence for volcanic breccia with different bedding dip *** research results indicate that as the bedding dip angle increases,peak strength,internal friction angle,and cohesion exhibit a“U-shaped”variation *** correlation dimension of the acoustic emission amplitude was calculated using the G-P algorithm,revealing that volcanic breccia exhibits fractal ***,a positive correlation between the correlation dimension and the bedding dip angle was *** the stress of the test specimen reaches 0.8σ_(c),there is a significant decrease in the fractal dimension,serving as a criterion for predicting the failure of the *** analyzing the changes in fractal dimension at different stress levels,the slope of the fractal dimension△D<-0.5 can be used as a precursor to failure for test specimens with a bedding dip angle of 15°≤β≤45°.Similarly,when the bedding dip angle of the specimen is 0°≤β<15°or 45°<β≤90°,△D<0 can be considered as a precursor to specimen *** study provides theoretical references for understanding the failure patterns of volcanic rock.

关键词： Volcanic breccia Bedding dip Acoustic emission Fractal dimension Harbinger of destruction

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Synthesis of Long-Chain Oligomeric Donor and Acceptors via Direct Arylation for Organic Solar Cells

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Chinese Journal of Chemistry 2024年第5期42卷 523-532页

作者： Yu Wu Xin-Yu He Xu-Min Huang Ling-Jun Yang Peng liu Na Chen Chang-Zhi Li shi-yong liu Jiangxi Provincial Key Laboratory of Functional Molecular Materials Chemistry College of MaterialsMetallurgical and ChemistryJiangxi University of Science and TechnologyGanzhouJiangxi341000 China Department of Polymer Science and Engineering Zhejiang UniversityHangzhouZhejiang310027 China

The rapid synthesis of structurally complicated electron donors&acceptors still remains a major challenge in organic solar cells(OSC).In this work,we developed a highly efficient strategy to access long-chain oligomeric donor and acceptors for OSC applications.A series of cyclopentadithiophene(CPDT)and benzothiadiazole(BT)-basedπ-conjugated oligomers,i.e.,three oligomeric acceptors(BTDT)n-IC(n=1—3)and one long-chain oligomeric donor(BTDT)4-RD,are facilely synthesized by an atom-and step-economical,and labor-saving direct C—H arylation(DACH)reaction(i.e.,C—H/C—Br cross coupling).Note that(BTDT)4-RD involving five CPDT,four BT and two rhodamine(RD)building blocks is the longest oligomeric donor in the fullerene-free OSC devices ever *** dependence of the structure-property-performance correlation of(BTDT)n-IC(n=1—3)and(BTDT)4-RD on theπ-conjugation lengths is thoroughly investigated by opto-electrochemical measurements,bulk heterojunction(BHJ)OSC devices and ***(BTDT)1-IC:PBDB-T and(BTDT)4-RD:Y6 BHJs achieve power conversion efficiencies of 9.14%and 4.51%,*** findings demonstrate that DACH reaction is a powerful tool to tune the opto-electronic properties and device performances by regulating the lengths ofπ-conjugated oligomers with varied numbers of repeating units.

关键词： Long-chainπ-conjugated oligomer Organic solar cells Direct arylation Atom-economical synthesis Cyclopentadithiophene Benzothiadiazole C—H activation Conjugation Oligomers

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