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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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Tailoring high-refractive-index nanocomposites for manufacturing of ultraviolet metasurfaces

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Microsystems & Nanoengineering 2024年第2期10卷 303-310页

作者： Hyunjung Kang Dongkyo Oh Nara Jeon Joohoon Kim Hongyoon Kim Trevon Badloe Junsuk Rho Department of Mechanical Engineering Pohang University of Science and Technology(POSTECH)PohangRepublic of Korea graduate School of Artificial Intelligence Pohang University of Science and Technology(POSTECH)PohangRepublic of Korea Department of Chemical Engineering Pohang University of Science and Technology(POSTECH)PohangRepublic of Korea Department of Electrical Engineering Pohang University of Science and Technology(POSTECH)PohangRepublic of Korea POSCO-POSTECH-RIST Convergence Research Center for Flat Optics and Metaphotonics PohangRepublic of Korea National institute of Nanomaterials technology(NINT) PohangRepublic of Korea

Nanoimprint lithography(NIL)has been utilized to address the manufacturing challenges of high cost and low throughput for optical *** overcome the limitations inherent in conventional imprint resins characterized by a low refractive index(n),high-n nanocomposites have been introduced to directly serve as ***,comprehensive research on these nanocomposites is notably *** this study,we focus on the composition of high-n zirconium dioxide(ZrO_(2))nanoparticle(NP)concentration and solvents used to produce ultraviolet(UV)metaholograms and quantify the transfer fidelity by the measured conversion *** utilization of 80 wt%ZrO_(2)NPs in MIBK,MEK,and acetone results in conversion efficiencies of 62.3%,51.4%,and 61.5%,respectively,at a wavelength of 325 *** analysis of the solvent composition and NP concentration can further enhance the manufacturing capabilities of high-n nanocomposites in NIL,enabling potential practical use of optical metasurfaces.

关键词： ultraviolet refractive nanocomposites

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Mixed-dimensional stacked nanocomposite structures for a specific wavelength-selectable ambipolar photoresponse

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Nano Research 2024年第6期17卷 5549-5558页

作者： Young Jae Park Jaeho Shim Joo Song Lee Kyu Seung Lee Ji-Yeon Kim Kang Bok Ko Sang-Youp Yim Seongjun Kim Hoon-Kyu Shin Donghee Park Yong Ju Yun Dong Ick Son institute of Advanced Composite Materials Korea Institute of Science and TechnologyJeollabuk-do 55324Republic of Korea National institute for Nanomaterials technology Pohang University of Science and TechnologyGyeongsangbuk-do 37673Republic of Korea Department of Semiconductor science and technology Semiconductor Physics Research CenterJeonbuk National UniversityJeonju 54896Republic of Korea Advanced Photonics Research institute Gwangju Institute of Science and TechnologyGwangju 61005Republic of Korea Center for Opto-Electronic Materials and Devices Post-Silicon Semiconductor InstituteKorea Institute of Science and TechnologySeoul 02792Republic of Korea graduate School of Energy and Environment(KU-KIST Green School) Korea UniversitySeoul 02841Republic of Korea KIST School Department of Nanomaterials and Nano ScienceUniversity of Science and Technology(UST)Daejeon 34113Republic of Korea

Mixed-dimensional composite structures using zero-dimensional(0D)quantum dots(QDs)and two-dimensional(2D)transition metal dichalcogenides(TMDs)materials are expected to attract great interest in optoelectronics due to the potential to generate new optical ***,we report on the unique optical characteristics of a devices with mixed dimensional vertically stacked structures based on tungsten diselenide(WSe_(2))/CdSeS QDs monolayer/molybdenum disulfide(MoS_(2))(2D/0D/2D).Specifically,it exhibits an ambipolar photoresponse characteristic,with a negative photoresponse observed in the 400-600 nm wavelength range and a positive photoresponse appeared at 700 nm *** resulted in the high negative responsivity of up to 52.22 mA·W^(−1)under 400 nm,which is 163 times higher than that of the photodetector without CdSeS *** also demonstrated the negative photoresponse,which could be due to increased carrier collision probability and non-radiative *** modeling and simulation reveal that Auger recombination among the types of non-radiative recombination is the main cause of negative photocurrent ***,we discovered ambipolar photoresponse near a specific wavelength corresponding to the energy of quantum *** study revealed interesting phenomenon in the mixed low-dimensional stacked structure and paved the way to exploit it for the development of innovative photodetection materials as well as for optoelectronic applications.

关键词： mixed-dimension quantum dot heterostructure photodetector ambipolar photoresponse

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Functionally graded structure of a nitride-strengthened Mg_(2)Si-based hybrid composite

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Journal of Magnesium and Alloys 2024年第3期12卷 1239-1256页

作者： Jeongho Yang Woongbeom Heogh Hogi Ju Sukhyun Kang Tae-Sik Jang Hyun-Do Jung Mohammad Jahazi Seung Chul Han Seong Je Park Hyoung Seop Kim Susmita Bose Amit Bandyopadhyay Martin Byung-Guk Jun Young Won Kim Dae-kyeom Kim Rigoberto CAdvincula Clodualdo Aranas Jr Sang Hoon Kim School of Mechanical Engineering Pusan National UniversityBusan 46241Republic of Korea Department of Mechanical Design Engineering Hanyang UniversitySeoul 04763Republic of Korea Process Research 3 Team LG Display Co.Ltd.PajuGyeonggi-do 10845Republic of Korea Department of Materials science and Engineering Chosun UniversityGwangju 61452Republic of Korea institute of Well-Aging Medicare&Chosun university LAMP Center Chosun UniversityGwangju 61452Republic of Korea Division of Materials science and Engineering Hanyang UniversitySeoul 04763Republic of Korea Department of Mechanical Engineering École de Technologie SupérieureMontrealQuebec H3C 1K3Canada Material&Component Convergence R&D Center Korea Construction Equipment Technology InstituteGunsanJeollabuk-do 54002Republic of Korea School of Mechanical and Aerospace Engineering Nanyang Technological UniversitySingapore 639798Singapore graduate institute of ferrous&Eco Materials technology Pohang University of Science and TechnologyPohangGyeongsangbuk-do 37673Republic of Korea Advanced institute for Materials Research Tohoku UniversitySendai 980-8577Japan institute for Convergence Research and Education in Advanced technology Yonsei UniversitySeoul 03722Republic of Korea School of Mechanical and Materials Engineering Washington State UniversityPullmanWashington 99164USA School of Mechanical Engineering Purdue UniversityWest LafayetteIndiana 47907USA Research institute of Advanced Manufacturing technology Korea Institute of Industrial TechnologyIncheon 21999Republic of Korea Department of Macromolecular science and Engineering Case Western Reserve UniversityClevelandOhio 44106USA Department of Chemical and Biomolecular Engineering and Joint institute for Advanced Materials University of TennesseeKnoxvilleTennessee 37996USA Center for Nanophase Materials and sciences Oak Ridge National LaboratoryOak RidgeTennessee 37830USA Department of Mechanical Engineering University of New BrunswickFrederictonNew Brunswick E3B 5A3Cana

The ex-situ incorporation of the secondary SiC reinforcement,along with the in-situ incorporation of the tertiary and quaternary Mg_(3)N_(2) and Si_(3)N_(4) phases,in the primary matrix of Mg_(2)Si is employed in order to provide ultimate wear resistance based on the laser-irradiation-induced inclusion of N_(2) gas during laser powder bed *** is substantialized based on both the thermal diffusion-and chemical reactionbased metallurgy of the Mg_(2)Si–SiC/nitride hybrid *** study also proposes a functional platform for systematically modulating a functionally graded structure and modeling build-direction-dependent architectonics during additive *** strategy enables the development of a compositional gradient from the center to the edge of each melt pool of the Mg_(2)Si–SiC/nitride hybrid ***,the coefficient of friction of the hybrid composite exhibits a 309.3%decrease to–1.67 compared to–0.54 for the conventional nonreinforced Mg_(2)Si structure,while the tensile strength exhibits a 171.3%increase to 831.5 MPa compared to 485.3 MPa for the conventional *** outstanding mechanical behavior is due to the(1)the complementary and synergistic reinforcement effects of the SiC and nitride compounds,each of which possesses an intrinsically high hardness,and(2)the strong adhesion of these compounds to the Mg_(2)Si matrix despite their small sizes and low concentrations.

关键词： Laser powder bed fusion Mg_(2)Si-SiC/nitride hybrid composite Both the thermal diffusion-and chemical reaction-based metallurgy Functionally graded structure Compositional gradient Wear resistance.

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Activation of non-basal ＜c + a> slip in multicomponent Mg alloys

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Journal of Magnesium and Alloys 2022年第2期10卷 585-597页

作者： Hyo-Sun Jang Jong-Kwan Lee Antonio Jo?o Seco Ferreira Tapia Nack Joon Kim Byeong-Joo Lee Department of Materials science and Engineering Pohang University of Science and Technology (POSTECH) graduate institute of ferrous technology Pohang University of Science and Technology (POSTECH)

Activating non-basal slip is a key method to improve room temperature ductility and formability of Mg alloys. However, the detailed criterion for activation of the slip in multicomponent Mg alloys, which can be utilized in commercial Mg alloys, requires further understanding. The present authors investigated the mechanism and criterion using a molecular statics simulation on dislocation behaviors in multicomponent Mg alloys. We found that if multicomponent Mg alloys have an equivalent dislocation binding intensity to associated binary Mg alloys that are optimized to minimize the critical resolved shear stress anisotropy and thus activate the slip,then the critical resolved shear stress anisotropy between slip systems of the multicomponent Mg alloys can also be minimized, resulting in activation of the slip. The activation is maximized in multicomponent Mg alloys when alloying a large amount of weak dislocation binding elements. It was confirmed through experiments that the multicomponent Mg alloys satisfying the above criterion show higher room-temperature tensile elongation and formability than other alloys.

关键词： Mg–Zn–Ca alloy Molecular statics simulation Ductility Formability

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Fluoride evaporation and crystallization behavior of CaF_2–CaO–Al_2O_3–(TiO_2) slag for electroslag remelting of Ti-containing steels

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International Journal of Minerals,Metallurgy and Materials 2016年第6期23卷 627-636页

作者： Cheng-bin Shi Jung-wook Cho Ding-li Zheng Jing Li State Key Laboratory of Advanced Metallurgy University of Science and Technology Beijing graduate institute of ferrous technology Pohang University of Science and Technology

To elucidate the behavior of slag films in an electroslag remelting process, the fluoride evaporation and crystallization of CaF2–CaO–Al2O3–（TiO2） slags were studied using the single hot thermocouple technique. The crystallization mechanism of TiO2-bearing slag was identified based on kinetic analysis. The fluoride evaporation and incubation time of crystallization in TiO2-free slag are found to considerably decrease with decreasing isothermal temperature down to 1503 K. Fish-bone and flower-like CaO crystals precipitate in TiO2-free slag melt, which is accompanied by CaF2 evaporation from slag melt above 1503 K. Below 1503 K, only near-spherical CaF2 crystals form with an incubation time of less than 1 s, and the crystallization is completed within 1 s. The addition of 8.1wt% TiO2 largely prevents the fluoride evaporation from slag melt and promotes the slag crystallization. TiO2 addition leads to the precipitation of needle-like perovskite（CaTiO3） crystals instead of CaO crystals in the slag. The crystallization of perovskite（CaTiO3） occurs by bulk nucleation and diffusion-controlled one-dimensional growth.

关键词： electroslag remelting slag crystallization crystallization kinetics fluorides evaporation

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Effect of TiO_2 on the viscosity and structure of low-fluoride slag used for electroslag remelting of Ti-containing steels

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International Journal of Minerals,Metallurgy and Materials 2017年第1期24卷 18-24页

作者： Cheng-bin Shi Ding-li Zheng Seung-ho Shin Jing Li Jung-wook Cho State Key Laboratory of Advanced Metallurgy University of Science and Technology Beijing graduate institute of ferrous technology Pohang University of Science and Technology

The viscosity of CaF_2-CaO-Al_2O_3-MgO-（TiO_2） slag was measured using a rotating crucible viscometer. Raman spectroscopy analysis was performed to correlate the viscosity to slag structure. The viscosity of the slag was found to decrease with increasing TiO_2 content in the slag from 0 to 9.73wt%. The activation energy decreased from 95.16 kJ /mol to 79.40 kJ /mol with increasing TiO_2 content in the slag. The introduction of TiO_2 into the slag played a destructive role in Al-O-Al structural units and Q^4 units by forming simpler structural units of Q^2 and Ti_2O_6^（4-） chain. The amount of Al-O-Al significantly decreased with increasing TiO_2 content. The relative fraction of Q^4 units in the [AlO_4]^（5-）-tetrahedral units shows a decreasing trend, whereas the relative fraction of Q^2 units and Ti_2O_6^（4-） chain increases with increasing TiO_2 content accordingly. Consequently, the polymerization degree of the slag decreases with increasing TiO_2 content. The variation in slag structure is consistent with the change in measured viscosity.

关键词： electroslag remelting slag titanium dioxide viscosity structure

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Investigation on Precipitation Transition in CGHAZ for TRIP Steels Containing Vanadium and Titanium

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Journal of Iron and Steel Research International 2011年第S1期18卷 154-158页

作者： Cooman De B C graduate institute for ferrous technology Pohang University of Science and TechnologyPohangSouth Korea

Two kinds of low-carbon low-silicon TRIP (Transformation Induced Plasticity) steels containing vanadium are designed using ThermoCalc software in the light of both thermodynamics and *** heat treatment process of different steels is determined according to the calculation results *** HAZ (Heat-Affected Zone) simulation tests indicate the weldability of TRIP steels is crucially sensitive to CE (carban equivelent) of the *** the impact toughness of CGHAZ (Coarse Grain Heat-Affected Zone) does not decrease drastically for TRIP steels microalloyed with Ti+*** steel containing both of vanadium and titanium shows smaller grain size compared with that containing vanadium *** is because the precipitation of Ti/V carbonitride slows down the grain boundary motion speed and then retards the grain size coalescence in CGHAZ.

关键词： TRIP steel precipitation transition heat-affected zone CGHAZ simulation

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Surface Tension and Temperature Effect on Entrapment of Bubbles and Particles in Continuous Casting of Steel

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Journal of Iron and Steel Research International 2011年第S2期18卷 220-226页

作者： Sang-Min Lee Sang-Joon Kim Hae-Geon Lee graduate institute of ferrous technology Pohang University of Science and Technology 31 San Pohang kyoungbuk Korea

The entrapment behavior of Ar bubbles onto the solidifying front of molten steel in the continuous casting mold was investigated. The dynamic model of bubble and particle entrapment was developed in order to consider the effect of surface tension gradient induced forces(Marangoni force) due to the gradient of sulfur concentration and temperature. The numerical analysis and water model experiment were performed to apply the present model for various conditions. The calculation result is compared with experimental results and plant data in continuous casting mold as well. It shows that the thermal Marangoni force could play an important role and this model predicts the bubble behavior in the vicinity of solid/liquid interface more precisely.

关键词： bubble continuous casting surface tension gradient marangoni force

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Nature of large (Ti, Nb)(C, N) particles precipitated during the solidification of Ti, Nb HSLA steel

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Journal of university of science and technology Beijing 2007年第2期14卷 112-117页

作者： Xiaojun Zhuo Xinhua Wang Wanjun Wang Hae-Geon Lee Metallurgical and Ecological Engineering School University of Science and Technology Beijing Beijing 100083 China graduate institute of ferrous technology Pohang University of Science and Technology Pohang 790-784 South Korea

To investigate the microsegregation phenomena and complex （Ti, Nb）（C, N） precipitation behavior during continuous casting, a unidirectional solidification unit was employed to simulate the solidification process. The samples of Ti, Nb-addition steels after unidirectional solidification were examined using field emission scanning electron microscope （FE-SEM） and electron probe X-ray microanalyzer （EPMA）. In such specimens, dendrite structure and mushy zone can be detected along the solidification direction. It shows that the addition of titanium, niobium to high-strength low-alloyed （HSLA） steel results in undesirable （Ti, Nb）（C, N） precipitation because of microsegregation. The effect of cooling rate on （Ti, Nb）（C, N） precipitation was investigated. The composition of large precipitates was determined using FE-SEM with EDS. Large （Ti, Nb）（C, N） precipitates could be divided into three kinds according to the composition and morphology. With the cooling rate increasing, Ti-rich （Ti, Nb）（C, N） precipitates are transformed to Nb-rich （Ti, Nb）（C, N） precipitates.

关键词： carbonitride microsegregation dendritic region unidirectional solidification cooling rate

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