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Thermodynamic model for deoxidation of liquid steel considering strong metal-oxygen interaction in the quasichemical model framework

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International Journal of minerals,Metallurgy and Materials 2024年第5期31卷 988-1002页

作者： yong-min cho Youn-Bae Kang Graduate Institute of Ferrous and Eco Materials Technology Pohang University of Science and TechnologyPohangKyungbuk37673Rep.of Korea N.EX.T Hub POSCO HoldingsPohangKyungbuk37673Rep.of Korea Department of Materials Science and Engineering Pohang University of Science and TechnologyPohangKyungbuk37673Rep.of Korea

Herein,a thermodynamic model aimed at describing deoxidation equilibria in liquid steel was *** model provides explicit forms of the activity coefficient of solutes in liquid steel,eliminating the need for the minimization of internal Gibbs energy preliminarily when solving deoxidation *** elimination of internal Gibbs energy minimization is particularly advantageous during the coupling of deoxidation equilibrium calculations with computationally intensive approaches,such as computational fluid *** model enables efficient calculations through direct embedment of the explicit forms of activity coefficient in the computing *** proposed thermodynamic model was developed using a quasichemical approach with two key approximations:random mixing of metallic elements(Fe and oxidizing metal) and strong nonrandom pairing of metal and oxygen as nearest *** these approximations,the quasichemical approach yielded the activity coefficients of solutes as explicit functions of composition and temperature without requiring the minimization of internal Gibbs energy or the coupling of separate *** model was successfully applied in the calculation of deoxidation equilibria of various elements(Al,B,C,Ca,Ce,Cr,La,Mg,Mn,Nb,Si,Ti,V,and Zr).The limitations of the model arising from these assumptions were also discussed.

关键词： deoxidation equilibria thermodynamics quasichemical approach computational fluid dynamics

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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 MechanicsChinese Academy of SciencesBeijing100190China School of Engineering Science University of Chinese Academy of SciencesBeijing100049China School of Earth and Space Sciences Peking UniversityBeijing100871China

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 ***,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 *** the discrete grid set is recognized as a pore-throat combination,Legendre ellipse fitting and minimum Feret diameter are *** the pore and throat grid sets are identified as pure pores,the pore diameter can be directly *** the new method,the analytical results for the physical parameters and pore radius agree well with most prior *** results comparing the maximum ball and the new model could also prove the accuracy of the latter's in micro and nano *** 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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Ligand-controlled NiH-catalyzed regiodivergent hydroalkylation of 2-alkenylazaarenes

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Science China Chemistry 2024年第6期67卷 1935-1940页

作者： Ya-Ping Shao Zhuo-min Chi yong-min Liang State Key Laboratory of Applied Organic Chemistry School of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou730000China

A nickel-hydride(Ni H)-catalyzed migratory and nonmigratory hydroalkylation reaction of 2-alkenyl azaarenes with alkyl iodines has been established through strategic modulation of N-or P-donor *** method enables the synthesis of diverseβ-orγ-branched aromatic *** mild regiodivergent protocols exhibit wide substrate scope,excellent functional tolerance,and great reaction yield with remarkable ***,deuterium labeling studies reveal Ni H-catalyzed interrupted chain-walking mode as the mechanism behind remotedβ-selective hydroalkylation reaction—an interesting phenomenon mediated through aromatic imine directing groups.

关键词： NiH regiodivergent hydroalkylation azaarenes interrupted chain-walking

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Depolarization mitigated in ferroelectric Hf_(0.5)Zr_(0.5)O_(2)ultrathin films(<5 nm)on Si substrate by interface engineering

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Journal of Advanced Ceramics 2024年第3期13卷 282-292页

作者： Se Hyun Kim Younghwan Lee Dong Hyun Lee Geun Hyeong Park Hyun Woo Jeong Kun Yang yong Hyeon cho Young yong Kim min Hyuk Park Department of Materials Science and Engineering College of EngineeringSeoul National UniversitySeoul 08826Republic of Korea Research Institute of Advanced Materials College of EngineeringSeoul National UniversitySeoul 08826Republic of Korea Inter-university Semiconductor Research Center College of EngineeringSeoul National UniversitySeoul 08826Republic of Korea Pohang Accelerator Laboratory Pohang University of Science&TechnologyPohang 790784Republic of Korea

(Hf,Zr)O_(2)offers considerable potential for next-generation semiconductor devices owing to its nonvolatile spontaneous polarization at the ***,scaling this material to sub-5 nm thickness poses several challenges,including the formation of an interfacial layer and high trap *** particular,a low-k SiO_(2)interfacial layer is naturally formed when(Hf,Zr)O_(2)films are directly grown on a Si substrate,leading to high depolarization fields and rapid reduction of the remanent *** address these issues,we conducted a study to significantly improve ferroelectricity and switching endurance of(Hf,Zr)O_(2)films with sub-5 nm thicknesses by inserting a TiO_(2)interfacial *** deposition of a Ti film prior to Hf_(0.5)Zr_(0.5)O_(2)film deposition resulted in a high-k TiO_(2)interfacial layer and prevented the direct contact of Hf_(0.5)Zr_(0.5)O_(2)with *** findings show that the high-k TiO_(2)interfacial layer can reduce the SiO_(2)/Si interface trap density and the depolarization field,resulting in a switchable polarization of 60.2μC/cm^(2)for a 5 nm thick Hf_(0.5)Zr_(0.5)O_(2)***,we propose that inserting a high-k TiO_(2)interfacial layer between the Hf_(0.5)Zr_(0.5)O_(2)film and the Si substrate may offer a promising solution to enhancing the ferroelectricity and reliability of(Hf,Zr)O_(2)grown on the Si substrate and can pave the way for next-generation semiconductor devices with improved performance.

关键词： ferroelectric charge trapping hafnia depolarization

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Normalized Solution for p-Kirchhoff Equation with a L2-supercritical Growth

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Acta Mathematicae Applicatae Sinica 2024年第2期40卷 414-429页

作者： Zhi-min REN yong-yi LAN School of Sciences Jimei UniversityXiamen 361005China

In this paper,we investigate the following p-Kirchhoff equation{∫R^(N)|u|^(2)dx=ρ,(a+b)∫RN(|Δu}^(p)+|u|^(p))dx)(-Δpu+|u|^(p-2u)=|u|^(s-2)u+μu,x∈R^(N),where a>0,b≥0,p>0 are constants,constants,p*=N-P/Np is the ... 详细信息

关键词： p-Kirchhoff equation normalized solution mountain-pass lemma

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One-pot synthesis of a giant twisted double-layer chiral macrocycle via [4+8] imine condensation and its X-ray structure

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Chinese Chemical Letters 2024年第10期35卷 241-243页

作者： Yu Pang min Wang Ning-Hua Yang min Xue yong Yang School of Science Department of PhysicsKey Laboratory of Optical Field Manipulation of Zhejiang ProvinceZhejiang Sci-Tech UniversityHangzhou 310018China School of Chemistry and Chemical Engineering Key Laboratory of Surface&Interface Science of Polymer Materials of Zhejiang ProvinceZhejiang Sci-Tech UniversityHangzhou310018China

Trifluoroacetic acid(TFA)catalyzed condensation reaction between tetraaminooxacalix[4]arene and N-alkylcarbazole-3,6-dicarbaldehyde in CH_(2)Cl2afforded a single product in 87%–89%***-defined yet undissolvable1H NMR spectra suggested formation of robust and discrete structures in solution.X-ray single crystal analysis further revealed a giant twisted double-layer chiral macrocycle in the solid state,which was formed from[4+8]condensation of the two reactants via 16 imine *** calculations discovered that only the[4+8]twisted product is thermodynamically favorable,which accounts for its highly selective and efficient formation out of a library of many other combinations.

关键词： One-pot synthesis Oxacalixarene Dynamic covalent chemistry Chiral macrocycle X-ray single crystal

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Large-disturbance Stability Analysis of Power Systems with Synchronous Generator and Converter-interfaced Generation

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Journal of Modern Power Systems and Clean Energy 2024年第3期12卷 997-1002页

作者： Lei Chen yong min Liangshuai Hao Guangzheng Xing Yalou Li Shiyun Xu Department of Electrical Engineering Tsinghua UniversityBeijing 100084China China Electric Power Research Institute Beijing 100192China

This letter studies large-disturbance stability of the power system with a synchronous generator(SG)and a converter-interfaced generation(CIG)connected to infinite *** power system is multi-timescale and first *** is shown that the boundary of region of attraction(ROA)of the simplified model is composed of stable manifolds of unstable equilibrium point(UEP)or semi-singular point(SSP),named anchor points,and singular surface *** type of anchor point determines the dominant instability pattern of the power *** the anchor point is UEP or SSP,the dominant instability pattern is the instability of rotor angle of SG or the instability of phase-locked loop and outer control loop(OCL)of CIG,*** of dominant instability pattern can be analyzed with the relative position relationship between UEP and *** effect of OCL is *** the OCL is activated,the ROA becomes smaller and the system is more prone to instability of *** is necessary to consider the OCL when studying the large-disturbance stability of the power system.

关键词： Converter-interfaced generation large-disturbance stability outer control loop phase-locked loop synchronous generator voltage source converter

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Multiparameter Numerical Investigation of Two Types of Moving Interactions Between the Deep-Sea mining Vehicle Track Plate and Seabed Soil:Digging and Rotating Motions

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China Ocean Engineering 2024年第3期38卷 408-423页

作者： SUN Peng-fei LYU Hai-ning YANG Jian-min XU Zhi-yong State Key Laboratory of Ocean Engineering Shanghai Jiao Tong UniversityShanghai 200240China Yazhou Bay Institute of Deepsea SCI-TECH Shanghai Jiao Tong UniversitySanya 572024China Institute of Marine Equipment Shanghai Jiao Tong UniversityShanghai 200240China

To ensure the safe performance of deep-sea mining vehicles(DSMVs),it is necessary to study the mechanical characteristics of the interaction between the seabed soil and the track *** rotation and digging motions of the track plate are important links in the contact between the driving mechanism of the DSMV and seabed *** this study,a numerical simulation is conducted using the coupled Eulerian–Lagrangian(CEL)large deformation numerical method to investigate the interaction between the track plate of the DSMV and the seabed soil under two working conditions:rotating condition and digging ***,a soil numerical model is established based on the elastoplastic mechanical characterization using the basic physical and mechanical properties of the seabed soil obtained by in situ ***,the soil disturbance mechanism and the dynamic mechanical response of the track plate under rotating and digging conditions are obtained through the analysis of the sensitivity of the motion parameters,the grouser structure,the layered soil features and the soil *** results indicate that the above parameters remarkably influence the interaction between the DSMV and the seabed ***,it is important to consider the rotating and digging motion of the DSMV in practical engineering to develop a detailed optimization design of the track plate.

关键词： deep-sea mining vehicle rotating motion digging motion track plate-seabed soil interaction CEL numerical method

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New method to identify optimal discontinuity set number of rock tunnel excavation face orientation based on Fisher mixed evaluation

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Underground Space 2024年第4期17卷 300-319页

作者： Keshen Zhang Wei Wu min Zhang yongsheng Liu yong Huang Baolin Chen College of Civil Engineering Tongji UniversityShanghai 200092China Key Laboratory of Geotechnical and Underground Engineering of ministry of Education Tongji UniversityShanghai 200092China State Key Laboratory of Disaster Reduction in Civil Engineering Tongji UniversityShanghai 200092China Shudao Investment Group Co.Ltd Chengdu 610095China China Railway Tunnel Group Co.Ltd Guangzhou 511466China China Railway First Survey and Design Institute Group Co.Ltd Xi’an 710043China Zhejiang Institute of Communications Co.Ltd Hangzhou 310012China

Discontinuity is critical for strength,deformability,and permeability of rock *** information is one of the essential discontinuity characteristics and is usually accessed by orientation *** methods of identifying optimal discontinuity set numbers are usually achieved by clustering validity indexes,which mainly relies on the aggregation and dispersion of clusters and leads to the inaccuracy and instability of *** paper proposes a new method of Fisher mixed evaluation(FME)to identify optimal group numbers of rock mass discontinuity *** FME,orientation distribution is regarded as the superposition of Fisher mixed *** grouping results are identified by considering the fitting accuracy of Fisher mixed distributions,the probability monopoly and central location significance of independent Fisher centers.A Halley-Expectation-Maximization(EM)algorithm is derived to achieve an automatic fitting of Fisher mixed *** real rock discontinuity models combined with three orientation clustering algorithms are adopted for discontinuity *** clustering validity indexes are used to automatically identify optimal group numbers for *** results show that FME is more accurate and robust than the other clustering validity indexes in optimal discontinuity group number identification for different rock models and orientation clustering algorithms.

关键词： Rock mass discontinuity Orientation grouping Fisher mixed distribution 3D point cloud Stereo photogrammetry

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Pulsed laser interference patterning of transition-metal carbides for stable alkaline water electrolysis kinetics

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Carbon Energy 2024年第5期6卷 65-80页

作者： Yewon Oh Jayaraman Theerthagiri Ahreum min Cheol Joo Moon Yiseul Yu Myong yong choi Department of Chemistry(BK21 FOUR) Research Institute of Natural SciencesGyeongsang National UniversityJinjuRepublic of Korea Core−Facility Center for Photochemistry and Nanomaterials Gyeongsang National UniversityJinjuRepublic of Korea

We investigated the role of metal atomization and solvent decomposition into reductive species and carbon clusters in the phase formation of transition-metal carbides(TMCs;namely,Co_(3)C,Fe_(3)C,TiC,and MoC)by pulsed laser ablation of Co,Fe,Ti,and Mo metals in *** interaction between carbon s-p-orbitals and metal d-orbitals causes a redistribution of valence structure through charge transfer,leading to the formation of surface defects as observed by X-ray photoelectron *** defects influence the evolved TMCs,making them effective for hydrogen and oxygen evolution reactions(HER and OER)in an alkaline ***_(3)C with more oxygen affinity promoted CoO(OH)intermediates,and the electrochemical surface oxidation to Co_(3)O_(4)was captured via in situ/operando electrochemical Raman probes,increasing the number of active sites for OER *** with more d-vacancies exhibits strong hydrogen binding,promoting HER kinetics,whereas Fe_(3)C and TiC with more defect states to trap charge carriers may hinder both OER and HER *** results show that the assembled membrane-less electrolyzer with Co_(3)C∥Co_(3)C and MoC∥MoC electrodes requires~2.01 and 1.99 V,respectively,to deliver a 10 mA cm−2 with excellent electrochemical and structural *** addition,the ascertained pulsed laser synthesis mechanism and unit-cell packing relations will open up sustainable pathways for obtaining highly stable electrocatalysts for electrolyzers.

关键词： acetone H_(2)and O_(2)evolution reactions pulsed laser ablation surface defects transition-metal carbides water electrolyzer

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