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Exploring charge and spin fluctuations in infinite-layer cuprate SrCuO_(2)from a phonon perspective

Science China(Physics,Mechanics & Astronomy) 2024年第8期67卷 159-167页

作者： xin Du Pei-Han Sun Ben-Chao Gong Jian-Feng Zhang Zhong-yi lu Kai Liu Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials&Micro-nano Devices Renmin University of ChinaBeijing 100872China Department of Physics School of ScienceJiangsu University of Science and TechnologyZhenjiang 212100China Institute of Physics Chinese Academy of SciencesBeijing 100190China Key Laboratory of Quantum State Construction and Manipulation(Ministry of Education) Renmin University of ChinaBeijing 100872China

The infinite-layer cuprate ACu O_(2)(A=Ca,Sr,Ba)possesses the simplest crystal structure among numerous cuprate superconductors and can serve as a prototypical system to explore the unconventional *** on the first-principles electronic structure calculations,we have studied the electronic and magnetic properties of the infinite-layer cuprate SrCuO_(2)from a phonon *** find that interesting fluctuations of charges,electrical dipoles,and local magnetic moments can be induced by the atomic displacements of phonon modes in SrCuO_(2)upon the hole *** all optical phonon modes of SrCuO_(2)in the antiferromagnetic Néel state,only the A_(1g)mode that involves the full-breathing O vibrations along the Cu-O bonds can cause significant fluctuations of local magnetic moments on O atoms and dramatic charge redistributions between Cu and O ***,due to the atomic displacements of the A_(1g)mode,both the charge fluctuations on Cu and the electrical dipoles on O show a dome-like evolution with increasing hole doping,quite similar to the experimentally observed behavior of the superconducting T_(c);in comparison,the fluctuations of local magnetic moments on O display a monotonic enhancement along with the hole *** analyses indicate that around the optimal doping,there exists a large softening in the frequency of the A_(1g)phonon mode and a van Hove singularity in the electronic structure close to the Fermi level,suggesting potential electron-phonon *** work reveals the important role of the full-breathing O phonon mode playing in the infinite-layer SrCuO_(2),which may provide new insights in understanding the cuprate superconductivity.

关键词： first-principles calculations cuprate superconductors phonon charge and spin fluctuations

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Controllable nucleation and deformation of skyrmions on surface of magnetic nanotubular monolayer

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Rare Metals 2024年第7期43卷 3250-3259页

作者： xin-xin Zhang Chen-Yu Zhang yi-xin xing Chao Man Jiao Liu Yong Hu Department of Physics College of SciencesNortheastern UniversityShenyang 110819China School of Materials and Mineral Resources Engineering Universiti Sains MalaysiaEngineering Campus14300 Nibong TebalPenangMalaysia State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang110819China

Magnetic skyrmions emerge when the energy of ferromagnetic exchange interaction promoting parallel alignment of spins enters in competition with energies favoring non-collinear alignment of spins such as Dzy aloshinskii-Moriya interaction(DMI),long-rang dipole-dipole interaction(DDI),or higher-order exchange *** perform an unbiased Monte Carlo simulation to study the DMI-based skyrmion nucleation and stabilization on the surface of magnetic nanotubular monolayer controlled by tuning constants of DDI(g) and next-nearest-neighbor antiferromagnetic exchange interaction(j') with appropriate *** g and j',the loosely distributed skyrmions initially nucleate on the surface of nanotube approaching to the magnetic field(h) direction with increasing h in the intermediate ***,the skyrmion size,shape,density,distribution and crystal structure,as well as its driven field range,are tailored by g and j'.This work demonstrates the skyrmion nucleation mechanisms in three-dimensional magnetic nanostructures with curvature effect and multiple interactions,serving as a benchmark for a guide to experimentalists for preparation of samples in magnetic skyrmion states.

关键词： Magnetic nanotube Magnetic skyrmion Dzyaloshinskii-Moriya interaction Dipole-dipole interaction Monte Carlo simulation

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Numerical study of the influence of the atmospheric pressure on the thermal environment in the passenger cabin

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Building Simulation 2024年第2期17卷 253-265页

作者： xin Su Yu Guo Zhengwei Long yi Cao Tianjin Key Lab.of Indoor Air Environmental Quality Control School of Environmental Science and EngineeringTianjin UniversityTianjin300072China Shanghai Aircraft Design and Research Institute Jinke RoadPudong DistrictShanghai201210China

The cabin air pressure remains lower than the horizontal atmospheric pressure when the airplane is in *** pressure is one of the parameters that must be taken into consideration while studying the thermal environment of an airplane *** are still no reference values for aircraft cabins despite the fact that numerous studies on low pressure heat transfer have demonstrated the connection between convective heat transfer coefficient(CHTC)and air *** this paper,a correction method for CHTC under low pressure conditions was established by using the dummy heat dissipation in the low-pressure cabin *** this basis,a thermal environment simulation model was developed,then was applied to the simulation of a seven-row aircraft cabin containing 42 passengers,and the CHTC and heat loss of dummy surface in the cabin were ***,the results of PMV calculated by using heat dissipation and air parameters at sampling points were *** results show that the modified CHTC can accurately reflect the cabin thermal environment under low pressure conditions,and the correction of CHTC can be realized by adjusting the turbulent Prandtl number,which is nonlinear correlated with the *** simulation results of the thermal environment in the seven-row cabin show that the CHTC changes by about 42%before and after *** air pressure decreases during take-off,which reduces the average CHTC of the crew surface from 5.09 W/(m^(2)·K)to 4.56 W/(m^(2)·K),but the air temperature rises by about 0.2°C as a *** deviation of PMV results calculated by using simulated heat loss data and using air parameters of measuring points in space is up to 0.5,but the latter is representative for calculating the thermal comfort level of the whole cabin.

关键词： low pressure aircraft cabin simulation heat dissipation convective heat transfer coefficient

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Microstructure evolution and strengthening mechanism of high -performance powder metallurgy TA15 titanium alloy by hot rolling

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International Journal of Minerals,Metallurgy and Materials 2024年第6期31卷 1426-1436页

作者： ying Gao Ce Zhang Jiazhen Zhang xin lu Beijing Advanced Innovation Center for Materials Genome Engineering State Key Laboratory for Advanced Metals and MaterialsInstitute for Advanced Ma-terials and TechnologyUniversity of Science and Technology BeijingBeijing 100083China National Engineering Research Center for Advanced Rolling Technology National Engineering Research Center for Flat Rolling EquipmentInstitute of Engin-eering TechnologyUniversity of Science and Technology BeijingBeijing 100083China

Hot deformation of sintered billets by powder metallurgy(PM)is an effective preparation technique for titanium alloys,which is more significant for high-alloying *** this study,Ti–6.5Al–2Zr–Mo–V(TA15)titanium alloy plates were prepared by cold press-ing sintering combined with high-temperature hot *** microstructure and mechanical properties under different process paramet-ers were *** microscope,electron backscatter diffraction,and others were applied to characterize the microstructure evolution and mechanical properties strengthening *** results showed that the chemical compositions were uniformly dif-fused without segregation during sintering,and the closing of the matrix craters was accelerated by increasing the sintering *** block was hot rolled at 1200℃ with an 80%reduction under only two passes without *** strength and elongation of the plate at 20–25℃ after solution and aging were 1247 MPa and 14.0%,respectively,which were increased by 24.5%and 40.0%,respect-ively,compared with the as-sintered alloy at 1300℃.The microstructure was significantly refined by continuous dynamic recrystalliza-tion,which was completed by the rotation and dislocation absorption of the substructure surrounded by low-angle grain *** hot rolling combined with heat treatment,the strength and plasticity of PM-TA15 were significantly improved,which resulted from the dense,uniform,and fine recrystallization structure and the synergistic effect of multiple slip systems.

关键词： elemental powder powder metallurgy titanium alloy hot rolling strength and plasticity

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Origin and evolution of false brinelling and fretting corrosion under rolling conditions

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Friction 2024年第4期12卷 618-631页

作者： xin JIA lu HUANG Miao SUN Wenbin LI National Institute of Metrology Beijing 100029China Yantai Tiancheng Machinery Co. Ltd.Yantai 264006China

Rolling bearings working in oscillating applications often suffer from false brinelling and fretting corrosion that limit their service *** present,the study of oscillation-induced failures is primarily dominated by a large number of sliding and bench ***,most of the previous work are not able to fully describe the two closely related but different failure *** this study,the origin and evolution of the two failures are thoroughly investigated under strictly controlled oscillating rolling *** results show that failure evolves from false brinelling to fretting corrosion under dry friction conditions regardless of the oscillation *** process is accompanied by a large area peeling and serious oxidation,and the oxygen content increases from 2.50 wt%to 21.22 wt%.Oxidation is a crucial factor in the evolution of false brinelling into fretting ***,the distribution of microwear and oxygen content depend on the oscillation *** lubrication conditions,the friction coefficient(COF)is smaller in the initial stage and led to local slip or transient instability of rolling ***,the size of the wear marks and COF increased and appeared to be larger than those under a dry friction ***,grease can separate the contact surfaces,only surface deformation owing to false brinelling and slight damage at the roughness level *** evolution of false brinelling and fretting corrosion is also closely related to residual *** brinelling often occurrs with residual stress accomulation,meanwhile,the residual stress increases from 120 to 300 *** peeling occurs,residual stress is *** failure pattern transformed from false brinelling to fretting corrosion and is accompanied by *** far,none of investigation is able to show satisfactory evolution of oscillating-induced failures,this study may contribute to more scientific understanding of rolling bearings against long-

关键词： oscillating false brinelling fretting corrosion wear residual stress

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Well-dispersed Sb particles embedded on N-doped carbon nanofibers toward high-performance Li-ion battery

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Rare Metals 2024年第7期43卷 2994-3006页

作者： ying Li yi-Han Zhao lu-lu Zhao Peng-Fei Wang ying Xie Ting-Feng yi School of Materials Science and Engineering Northeastern UniversityShenyang 110819China Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province School of Resources and MaterialsNortheastern University at QinhuangdaoQinhuangdao 066004China Key Laboratory of Functional Inorganic Material Chemistry Ministry of EducationSchool of Chemistry and Materials ScienceHeilongjiang UniversityHarbin 150080China

The alloy-type material Sb is widely used in the anode materials of lithium-ion batteries(LIBs)due to its high theoretical specific ***,its serious volume expansion problem during alloying/dealloying of Li~+limits its practical *** this work,C-Sb composite was constructed as anode material of LIBs by electrospinning route for the first time,Sb was introduced into the polyacrylonitrile-based hard carbon and coal tar pitch-based soft carbon composite amorphous carbon fiber with a diameter of 300-600 nm,which realized high cycling *** C-Sb-2(the mass ratio of polyacrylonitrile to Sb source is 1:2)electrode displayed charge capacities of 1098.5,930.3,841.7,753.5,643.9 and 545.8 mAh·g^(-1)at 0.1,0.2,0.3,0.5,1 and 2 A·g^(-1),*** when the current density returned to 0.1 A·g^(-1),the charge capacity was 939.3 mAh·g^(-1),revealing good stability and *** introduction of Sb into the amorphous carbon improved its conductivity and addressed the volume expansion issue of high specific capacity Sb during charge/***-situ XRD analysis confirmed the high reversibility of the C-Sb-2 during charging and *** functional theory(DFT)calculations revealed the gradual enhancement of the interface interaction between Sb_(x)Li_(y) and amorphous carbon(AMC)with increasing lithium content,contributing to the anchoring of alloy nanoparticles on the AMC surface and buffering the volume change of the ***,the gradual lithiation of Sb facilitated the electron transfer from Sb_(x)Li_(y) to *** findings hold promise for designing lithium storage materials with exceptional performance,highlighting the potential of C-Sb composites as anode materials for efficient next-generation lithium storage.

关键词： Li-ion battery Metallic Sb Carbon Electrospinning Cycling stability

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Surface iodine and pyrenyl-graphdiyne co-modified Bi catalysts for highly efficient CO_(2) electroreduction in acidic electrolyte

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Nano Research 2024年第4期17卷 2381-2387页

作者： Min Zhang Juan Wang xin Rong Xiu-Li lu Tong-Bu lu MOE International Joint Laboratory of Materials Microstructure Institute for New Energy Materials and Low Carbon TechnologiesSchool of Materials Science and EngineeringTianjin University of TechnologyTianjin 300384China

CO_(2) electroreduction to formic acid/formate would contribute to alleviating the energy and climate *** work reports a Bi-based catalyst derived from the in-situ electroreduction of Bi_(2)O_(2)CO_(3) modified with iodine and pyrenyl-graphdiyne(PGDY)on the surface for efficient electroreduction of CO_(2) in acidic electrolyte,with a high partial current density of 98.71 mA·cm^(-2) and high Faradaic efficiency(FE)>90%over the potential range from^(-1).2 to-1.5 V *** hydrogen electrode(RHE),as well as the long-term operational stability over 240 h without degradation in H-type *** results and density function theory calculations show that the synergistic effect of surface iodine and PGDY is responsible for this active and extremely stable process of CO_(2) electroreduction via lowering the energy barriers for formation of*OCHO intermediate,suppressing the competitive HER by enhancing the concentration of both K+and CO_(2) at reaction interface,as well as preventing the dissolution and re-deposition of active Bi atoms on surface during catalytic *** work provides new insight into designing highly active and stable electrocatalysts for CO_(2) reduction.

关键词： CO_(2) reduction electrocatalysis Bi-based catalysts acidic electrolyte

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Efficacy and safety of perioperative therapy for locally resectable gastric cancer:A network meta-analysis of randomized clinical trials

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World Journal of Gastrointestinal Oncology 2024年第3期16卷 1046-1058页

作者： Zi-Yu Kuang Qian-Hui Sun lu-Chang Cao xin-yi Ma Jia-Xi Wang Ke-xin Liu Jie Li Graduate College Beijing University of Traditional Chinese MedicineBeijing 100029China Oncology Department Guang’anmen HospitalChina Academy of Chinese Medical SciencesBeijing 100053China

BACKGROUND Gastric cancer(GC)is the fifth most commonly diagnosed malignancy worldwide,with over 1 million new cases per year,and the third leading cause of cancer-related *** To determine the optimal perioperative treatment regimen for patients with locally resectable *** A comprehensive literature search was conducted,focusing on phase II/III randomized controlled trials(RCTs)assessing perioperative chemotherapy and chemoradiotherapy in treating locally resectable *** R0 resection rate,overall survival(OS),disease-free survival(DFS),and incidence of grade 3 or higher nonsurgical severe adverse events(SAEs)associated with various perioperative regimens were analyzed.A Bayesian network meta-analysis was performed to compare treatment regimens and rank their *** Thirty RCTs involving 8346 patients were included in this *** XELOX plus neoadjuvant radiotherapy and neoadjuvant CF were found to significantly improve the R0 resection rate compared with surgery alone,and the former had the highest probability of being the most effective option in this *** plus adjuvant FLOT was associated with the highest probability of being the best regimen for improving *** to limited data,no definitive ranking could be determined for *** nonsurgical SAEs,FLO has emerged as the safest treatment *** This study provides valuable insights for clinicians when selecting perioperative treatment regimens for patients with locally resectable *** studies are required to validate these findings.

关键词： Gastric cancer Perioperative treatment Network meta-analysis Efficacy and safety

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Navigating the safe operation of high-voltage cathodes:Challenges and strategies

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Nano Research 2024年第10期17卷 8694-8705页

作者： Yue Sun Changjian Zuo yi-Chun lu Electrochemical Energy and Interfaces Laboratory Department of Mechanical and Automation EngineeringThe Chinese University of Hong KongHong Kong 999077China

Lithium-ion batteries play a crucial role in storing energy for renewable sources and electric vehicles,yet face challenges related to insufficient energy *** the working-voltage of cathodes is promising to boost the energy density of batteries by increasing both the output voltage and capacity of cathode,which however could compromise life cycle and *** review provides a comprehensive summary of essential factors governing pathways of cathode-induced thermal runaway,including electrolyte decomposition,phase transitions,and crosstalk-induced *** and electrolyte modifications aimed at mitigating parasitic reactions and preventing crosstalk were also *** review concludes with insights into the future application of these strategies,providing a comprehensive perspective on the realization of high-energy and safe batteries.

关键词： battery safety high-voltage cathode lithium-ion battery thermal runaway

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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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