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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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Evaluation of water management on arsenic methylation and volatilization in arsenic-contaminated soils strengthened by bioaugmentation and biostimulation

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Journal of Environmental Sciences 2024年第3期137卷 515-526页

作者： Peng Chen yi liu Guo-Xin Sun State Key Laboratory of Urban and Regional Ecology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China Key Laboratory of Aquatic Botany and Watershed Ecology Wuhan Botanical GardenChinese Academy of SciencesWuhan 430074China University of Chinese Academy of Sciences Beijing 100049China

Arsenic(As) fate in paddy fields has been one of the most significant current issues due to the strong As accumulation potential of rice plants under fooded conditions. However,no attempt was done to explore As methylation and volatilization under non-fooded conditions. Herein, we investigated the effects of water management on As methylation and volatilization in three arsenic-contaminated soils enhanced by biostimulation with strawderived organic matter and bioaugmentation with genetic engineered Pseudomonas putida KT2440(GE P. putida). Under fooded conditions, the application of biochar(BC), rice straw(RS)and their combination(BC+RS) increased total As in porewater. However, these effects were greatly attenuated under non-fooded conditions. Compared with RS amendment alone, the combination of GE P. putida and RS further promoted the As methylation and volatilization,and the promotion percentage under non-fooded conditions were significantly higher than that under fooded conditions. The combined GE P. putida and RS showed the highest efficiency in As methylation(88 μg/L) and volatilization(415.4 μg/(kg·year)) in the non-fooded soil with moderate As contamination. Finally, stepwise multiple linear regression analysis presented that methylated As, DOC and p H in porewater were the most important factors contributing to As volatilization. Overall, our findings suggest that combination of bioaugmentation with GE P. putida and biostimulation with RS/BC+RS is a potential strategy for bioremediation of arsenic-contaminated soils by enhancing As methylation and volatilization under non-fooded conditions.

关键词： Arsenic methylation Arsenic volatilization Water management Straw incorporation Bioaugmentation

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Unlocking high-efficiency oxygen evolution reaction through Co-N coordination engineering in Co@N-doped porous carbon core–shell nanoparticles

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Nano Research 2024年第8期17卷 7068-7076页

作者： Shucheng liu Yu Shuai Xiaosi Qi Zhao Ding yi liu College of Big Data and Information Engineering Guizhou UniversityGuiyang 550025China College of Physics Guizhou Province Key Laboratory for Photoelectrics Technology and ApplicationGuizhou UniversityGuiyang 550025China

Modulation of metal sites coordination can significantly refine the electronic architecture of catalysts,thereby improving their catalytic *** work successfully developed a core–shell Co@N-doped porous carbon(Co@NC)catalyst by pyrolyzing the COF/MOF(IISERP-COF3/ZIF-67)composite in an inert *** Co@NC catalyst exhibited impressive oxygen evolution reaction(OER)performance,with a small overpotential of 304 mV and a modest Tafel slope of 88.6 mV·dec^(−1) in a 1 M KOH,alongside remarkable stability,maintaining 98.5%of its activity over 13 *** role of IISERP-COF3 was pivotal in preventing Co atom aggregation during the ZIF-67 pyrolysis,which facilitated the creation of mesopores for enhanced mass transport and ***,it effectively modulated the Co-N coordination to fine-tune the electronic structure,thereby optimizing the catalyst's capacity for adsorption of intermediates and boosting its intrinsic *** functional theory(DFT)studies corroborate that the exceptional OER efficiency of Co@NC can be linked to the enhanced Co-N coordination,optimizing the localized electronic structure at the Co active *** study not only proposes an innovative approach for optimizing COF/MOF as effective electrocatalysts but also clears the path for the emergence of affordable,high-performance alternatives to precious metal-based catalysts,marking a significant advancement in sustainable energy technologies.

关键词： covalent organic framework(COF) metal-organic framework(MOF) core-shell structure catalysts oxygen evolution reaction

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Microglia Suppresses Breast Cancer Brain Metastasis via a Pro-inflammatory Response

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Neuroscience Bulletin 2024年第7期40卷 1034-1036页

作者： Shengbo Chen yi-Jun liu Department of Neurobiology of Affiliated Mental Health Center and Hangzhou Seventh People's Hospital and School of Brain Science and Brain Medicine Zhejiang University School of MedicineHangzhou 310058China Liangzhu Laboratory MOE Frontier Science Center for Brain Science and Brain-machine IntegrationState Key Laboratory of Brain-machine IntelligenceZhejiang University1369 West Wenyi RoadHangzhou 311121China NHC and CAMS Key Laboratory of Medical Neurobiology Zhejiang UniversityHangzhou 310058China

Due to the obstacle of the blood-brain barrier(BBB)for drug delivery[1],breast cancer brain metastasis(BCBM)represents a worldwide health challenge with high *** BCBM formation and progression,brain metastases(BrMs)secret various factors,including cytokines and exosomes,and trigger the infiltration of tumours-associated macrophages(TAMs),which in turn become important components of brain tumour microenvironments(TME).

关键词： mortality tumour Breast

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Evolution of High-energy Electron Distribution in Pulsar Wind Nebulae

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Research in Astronomy and Astrophysics 2024年第7期24卷 198-214页

作者： yi-Ming liu Hou-Dun Zeng Yu-Liang Xin Si-Ming liu yi Zhang Key Laboratory of Dark Matter and Space Astronomy Purple Mountain ObservatoryChinese Academy of SciencesNanjing 210023China School of Astronomy and Space Science University of Science and Technology of ChinaHefei 230026China School of Physical Science and Technology Southwest Jiaotong UniversityChengdu 610031China

In this paper,we analyze the spectral energy distributions of 17 powerful(with a spin-down luminosity greater than10~(35)erg s~(-1))young(with an age less than 15,000 yr)pulsar wind nebulae(PWNe)using a simple timein-dependent one-zone emission *** aim is to investigate correlations between model parameters and the ages of the corresponding PWNe,thereby revealing the evolution of high-energy electron distributions within *** findings are as follows:(1)The electron distributions in PWNe can be characterized by a double power-law with a super-exponential cutoff.(2)As PWNe evolve,the high-energy end of the electron distribution spectrum becomes harder with the index decreasing from approximately 3.5 to 2.5,while the low-energy end spectrum index remains constant near 1.5.(3)There is no apparent correlation between the break energy or cutoff energy and the age of PWNe.(4)The average magnetic field within PWNe decreases with age,leading to a positive correlation between the energy loss timescale of electrons at the break energy or the high-energy cutoff and the age of the PWN.(5)The total electron energy within PWNe remains constant near 2×10~(48)erg,while the total magnetic energy decreases with age.

关键词： radiation mechanisms non-thermal-ISM general-ISM supernova remnants-gamma-rays general

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Dynamic COVID Zero Strategy triggered a significant increase of chlorine-based disinfectant

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Frontiers of Environmental Science & Engineering 2024年第8期18卷 73-80页

作者： Xuhao Wang Mai Su Chunyan Wang yi liu School of Environment Tsinghua UniversityBeijing 100084China

Chlorine-based disinfectants(CBDs)have been widely used to prevent and control the spread of the COVID-19,which may lead to the formation of carcinogenic *** China,strict disinfection strategies by local governments/communities or volunteering by residents have been implemented to meet the Dynamic COVID Zero(DCZ)***,the amount of CBDs used has not been *** author proposed an urban-scale disinfectant consumption estimation(ALICE)model to quantify weekly CBD *** results show that the CBD consumption for the urban region of Beijing during the DCZ strategy was 3704.0 t(0.43 kg/(cap-yr)),equivalent to a monthly increase of 15 g/cap(70.5%)in CBD consumption compared with that in *** to the scenario analysis,a stricter strategy with a shorter response time toward new cases will decrease the total CBD consumption by 1.2% compared with the baseline estimation.A more precise prevention strategy with a smaller delineation of risk area and a less stringent strategy with a longer response time will lower the total CBD consumption by 0.42% and 0.35%,***,the more precise prevention strategy will reduce CBD consumption of close off and lockdown area(COLD area)by 16.9%,and the stricter strategy will reduce this consumption by 37.7%.This study highlights the impact of pandemic prevention and control strategies on chlorine-based disinfectant consumption and some implications for future environmental pollution and risk assessments.

关键词： COVID-19 Dynamic COVID Zero Strategy Disinfectants consumption Bottom-up approach Scenario analysis

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Automated Identification of Ordered Phases for Simulation Studies of Block Copolymers

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Chinese Journal of Polymer Science 2024年第5期42卷 683-692,I0011页

作者： Yu-Chen Zhang Wei-Ling Huang yi-Xin liu State Key Laboratory of Molecule Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai200433China

In unit cell simulations,identification of ordered phases in block copolymers(BCPs)is a tedious and time-consuming task,impeding the advancement of more streamlined and potentially automated research *** this study,we propose a scattering-based automated identification strategy(SAIS)for characterization and identification of ordered phases of BCPs based on their computed scattering *** approach leverages the scattering theory of perfect crystals to efficiently compute the scattering patterns of periodic morphologies in a unit *** the first stage of the SAIS,phases are identified by comparing reflection conditions at a sequence of Miller *** confirm or refine the identification results of the first stage,the second stage of the SAIS introduces a tailored residual between the test phase and each of the known candidate ***,our strategy incorporates a variance-like criterion to distinguish background species,enabling its extension to multi-species BCP *** has been demonstrated that our strategy achieves exceptional accuracy and robustness while requiring minimal computational ***,the approach allows for real-time expansion and improvement to the candidate phase library,facilitating the development of automated research workflows for designing specific ordered structures and discovering new ordered phases in BCPs.

关键词： Block copolymer Phase identification Scattering function

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Copper-coated Porous Polyimide as Ultralight and Safe Current Collectors for Advanced LIBs

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Chinese Journal of Polymer Science 2024年第4期42卷 521-531页

作者： Cun-Sheng liu Jun-Qi Hu Ting-Ting Mao Song-yi Liao Ru-Ming Feng yi-Dong liu Yong-Gang Min School of Materials and Energy Guangdong University of TechnologyGuangzhou510006China College of Chemistry and Chemical Engineering Zhongkai University of Agriculture and EngineeringGuangzhou510225China Shanwei Branch of Advanced Energy Science and Technology Guangdong Laboratory Shanwei516600China

Metallic copper is widely used as current collector(CC) for graphite anode of lithium-ion batteries(LIBs) due to its high electrical conductivity and electrochemical stability. However, the large volume density of commercial copper foil(~8.9 g·cm^(-3)) limits the increase of energy density of battery. Here, copper-coated porous polyimide(Cu@PPI) was prepared by vacuum evaporation as collector for the graphite anode. The sandwich structure connects the copper metal on both sides of the collector with excellent electrical conductivity. Compared to commercial Cu foil, Cu@PPI has lighter mass(≤3.9 mg for disc of 12 mm diameter versus 9.9 mg of ~10 μm Cu foil) and lower volume density(≤3.3 g·cm^(-3)). In addition, the porous structure allows of better adhesion of reactive substances and electrochemical properties than pure Cu foils. It is estimated that the energy density of Cu@PPI should be much higher than that of Cu foil. This strategy should be applicable for other current collectors.

关键词： Copper-coated Vacuum evaporation Porous polyimide(PPI) Current collector(CC) LIBs

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Tissue-like P systems with polarizations

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Frontiers of Computer Science 2024年第4期18卷 209-210页

作者： Yueguo LUO yi liu Yuzhen ZHAO Ping GUO College of Big Data and Intelligent Engineering Yangtze Normal UniversityChongqing 408100China College of Rail Transit and Aviation Services Chongqing Industry Polytechnic CollegeChongqing 401120China Business School Shandong Normal UniversityJinan 250014China College of Computer Science Chongqing UniversityChongqing 400044China

1 Introduction Natural computing refers to a computational paradigm inspired by biological mechanisms in ***-like P systems,a basic variant in membrane computing,can be viewed as distributed and parallel bio-inspired computing devices,where the objects in each region can communicate using corresponding channels,and infinitely many objects may exist in the ***[1],a novel variant of P systems with active membranes was *** application of rules in this variant is associated with the polarization on a corresponding membrane.

关键词： computing environment. infinitely

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Prenatal amoxicillin exposure induces developmental toxicity in fetal mice and its characteristics

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Journal of Environmental Sciences 2024年第3期137卷 287-301页

作者： Yongguo Dai Yu Peng Wen Hu yi liu Hui Wang Department of Pharmacology Wuhan University School of Basic Medical SciencesWuhan 430071China Department of Pharmacy Zhongnan Hospital of Wuhan UniversityWuhan 430071China Hubei Provincial Key Laboratory of Developmentally Originated Disease Wuhan 430071China

Amoxicillin,a widely used antibiotic in human and veterinary pharmaceuticals,is now considered as an“emerging contaminant”because it exists widespreadly in the environment and brings a series of adverse ***,systematic studies about the developmental toxicity of amoxicillin are still *** explored the potential effects of amoxicillin exposure on pregnancy outcomes,maternal/fetal serum phenotypes,and fetal multiple organ development in mice,at different doses(75,150,300 mg/(kg·day))during late-pregnancy,or at a dose of 300 mg/(kg·day)during different stages(mid-/latepregnancy)and courses(single-/multi-course).Results showed that prenatal amoxicillin exposure(PAmE)had no significant infuence on the body weights of dams,but it could inhibit the physical development and reduce the survival rate of fetuses,especially during the ***,PAmE altered multiple maternal/fetal serum phenotypes,especially in *** multi-organ function results showed that PAmE inhibited testicular/adrenal steroid synthesis,long bone/cartilage and hippocampal development,and enhanced ovarian steroid synthesis and hepatic glycogenesis/lipogenesis,and the order of severity might be gonad(testis,ovary)>liver>*** analysis found that PAmE-induced multiorgan developmental and functional alterations had differences in stages,courses and fetal gender,and the most obvious changes might be in high-dose,late-pregnancy and multicourse,but there was no typical rule of a dose-response *** conclusion,this study confirmed that PAmE could cause abnormal development and multi-organ function alterations,which deepens our understanding of the risk of PAmE and provides an experimental basis for further exploration of the long-term harm.

关键词： Amoxicillin Prenatal exposure Fetal development Organ function Developmental toxicity

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