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Density functional theory study on the role of ternary alloying elements in TiFe-based hydrogen storage alloys

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Journal of Materials Science & Technology 2021年第33期92卷 148-158页

作者： Won-Seok Ko Ki Beom park hyung-Ki park School of Materials Science and Engineering University of UlsanUlsan 44610Republic of Korea Functional Materials and Components R&D Group Korea Institute of Industrial TechnologyGangneung 25440Republic of Korea

The role of additional ternary alloying elements on the performance of stationary TiFe-based hydrogen storage alloys was investigated based on first-principles density functional theory *** a basic step for examinations,the site preference of each alloying element in the stoichiometric and nonstoichiometric B2TiFe compounds was clarified considering possible antisite *** on the revealed site preference,the effect of various possible ternary elements on the hydrogen storage was examined by focusing on the formation enthalpies of TiFeH and TiFeH_(2) hydrides,which were closely related to the change in the location of plateaus in the pressure-composition-temperature *** physical properties such as the volume expansion due to hydride formation were also examined to provide additional criteria for selecting optimum alloying conditions in future alloying design *** alloying elements that maximize the grain boundary embrittlement due to the solute segregation were proposed for the enhanced initial activation of TiFe-based hydrogen storage alloys.

关键词： Hydrogen storage alloy Titanium-iron Density functional theory calculation Metallic hydride

Effects of structure and electronic properties of D-π-A organic dyes on photovoltaic performance of dye-sensitized solar cells

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Journal of Energy Chemistry 2021年第3期30卷 208-216页

作者： Min-Woo Lee jae-Yup Kim hyung-Geun Lee Hyun Gil Cha Duck-hyung Lee Min jae Ko Bio-Based Chemistry Research Center Advanced Convergent Chemistry DivisionKorea Research Institute of Chemical Technology(KRICT)Ulsan 44429Republic of Korea Department of Chemical Engineering Dankook UniversityYongin 16890Republic of Korea Department of Chemistry Sogang UniversitySeoul 04107Republic of Korea Department of Chemical Engineering Hanyang UniversitySeoul 04763Republic of Korea Institute of Nano Science and Technology Hanyang UniversitySeoul 04763Republic of Korea

Herein,we examine the performance of dye-sensitized solar cells containing five D-π-A organic dyes designed by systematic modification of π-bridge size and geometric *** dye has a simple push-pull structure with a triarylamino group as an electron donor,bithiophene-4,4-dimethyl-4 H-cyclopenta 1,2-b:5,4-b’]dithiophene(M11),4,4-dimethyl-4 H-cyclopenta[1,2-b:5,4-b’]dithiophenethiophene(M12),thiophene-4,4-dimethyl-4 H-cyclopenta[1,2-b:5,4-b’]dithiophene(M13),4,4-dimethyl-4 H-cyclopenta[1,2-b:5,4-b’]dithiophene-benzene(M14),and 4,4-dimethyl-4 H-cyclopenta[1,2-b:5,4-b’]dithiophene(M15)units asπ-bridges,and cyanoacrylic acid as an electron acceptor/*** extension of theπ-bridge linkage favors wide-range absorption but,because of the concomitant molecular volume increase,hinders the efficient adsorption of dyes on the TiO_(2) film ***,higher loadings are achieved for smaller dye molecules,resulting in(i)a shift of the TiO_(2) conduction band edge to more negative values,(ii)a greater photocurrent,and(iii)suppressed charge recombination between the photoanode and the redox couple in the ***,under one-sun equivalent illumination(AM 1.5 G,100 mW/cm^(2)),the highest photovoltage,photocurrent,and conversion efficiency(η=7.19%)are observed for M15,which has the smallest molecular volume among M series dyes.

关键词： Dye-sensitized solar cells Donor-acceptor dyes Electron-rich unit Wide-range absorption Impedance spectroscopy

Atypical progress of frozen shoulder after COVID-19 vaccination:A case report

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World Journal of Clinical Cases 2023年第15期11卷 3637-3642页

作者： Hyun-Seok Jo Hyeong-Min Kim jae-Young Han Hyeng-Kyu park Department of Physical and Rehabilitation Medicine Research Institute of Medical SciencesHeart Research CenterChonnam National UniversityChonnam National University Medical School&HospitalGwangju City 61469South Korea Department of Physical and Rehabilitation Medicine Regional Cardiocerebrovascular CenterCenter for Aging and GeriatricsResearch Institute of Medical SciencesHeart Research CenterChonnam National UniversityChonnam National University Medical School&HospitalGwangju City 61469South Korea

BACKGROUND After vaccination was mandated worldwide,various adverse effects associated with the coronavirus disease 2019(COVID-19)vaccination,including shoulder pain,have been ***,we report a case of new-onset shoulder pain after BNT162b2(Comirnaty,Pfizer-BioNTech)mRNA *** SUMMARY A 50-year-old man visited our rehabilitation center with left shoulder range of motion(ROM)limitation that had persisted for more than 5 *** history included no specific noteworthy events,except *** pain in the patient’s left deltoid muscle appeared 1 day after the second BNT162b2 vaccination and intensified to severe *** patient self-administered aspirin,with which the pain subsided immediately,whereas ROM limitation *** the first visit,the patient complained of dull pain and ROM restriction of the left shoulder(flexion 130°,abduction 110°,and external rotation 40°).Among the diagnostic studies conducted for the evaluation of the shoulder,magnetic resonance imaging showed a thickened coracohumeral *** conduction studies and needle electromyography showed no electrodiagnostic *** patient received comprehensive rehabilitation for 7 mo and had an overall improvement in pain and ROM of the left *** In this case of severe shoulder pain after COVID-19 vaccination that subsided immediately with aspirin treatment,the exact cause and mechanism of pain are ***,the clinical symptoms and diagnostic workups in our report suggest the possibility that the COVID-19 vaccination triggered an immunochemical response that resulted in shoulder pathology.

关键词： COVID-19 Vaccination Adhesive capsulitis Frozen shoulder Mechanism Case report

Three Dimensional Optimum Node Localization in Dynamic Wireless Sensor Networks

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Computers, Materials & Continua 2022年第1期70卷 305-321页

作者： Gagandeep Singh Walia Parulpreet Singh Manwinder Singh Mohamed Abouhawwash hyung Ju park Byeong-Gwon Kang Shubham Mahajan Amit Kant Pandit Department of Electronics and Communication Engineering Lovely Professional UniversityJalandhar144411PunjabIndia Department of Mathematics Faculty of ScienceMansoura UniversityMansoura35516Egypt Department of Computational Mathematics Scienceand Engineering(CMSE)Michigan State UniversityEast LansingMI48824USA Department of ICT Convergence Soonchunhyang UniversityAsan31538Korea School of Electronics&Communication Shri Mata Vaishno Devi UniversityKatra182320India

Location information plays an important role in most of the applications in Wireless Sensor Network(WSN).Recently,many localization techniques have been proposed,while most of these deals with two Dimensional ***,in Three Dimensional applications the task is complex and there are large variations in the altitude *** these 3D environments,the sensors are placed in mountains for tracking and deployed in air for monitoring pollution *** such applications,2D localization models are not *** to this,the design of 3D localization systems in WSNs faces new *** this paper,in order to find unknown nodes in Three-Dimensional environment,only single anchor node is *** the simulation-based environment,the nodes with unknown locations are moving at middle&lower layers whereas the top layer is equipped with single anchor node.A novel soft computing technique namely Adaptive Plant Propagation Algorithm(APPA)is introduced to obtain the optimized locations of these mobile *** target nodes are heterogeneous and deployed in an anisotropic environment having an Irregularity(Degree of Irregularity(DOI))value set to *** simulation results present that proposed APPAalgorithm outperforms as tested among other meta-heuristic optimization techniques in terms of localization error,computational time,and the located sensor nodes.

关键词： Wireless sensor networks localization particle swarm optimization h-best particle swarm optimization biogeography-based optimization grey wolf optimizer firefly algorithm adaptive plant propagation algorithm

Ultrasonographic identification of lateral femoral cutaneous nerve anatomical variation in persistent meralgia paresthetica:A case report

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World Journal of Clinical Cases 2023年第31期11卷 7699-7705页

作者： Hyeong-Woo park Kyung-Suk Ji Jun-hyung Kim Li-Na Kim Kang-Wook Ha Department of Physical Medicine and Rehabilitation Sahmyook Medical CenterSeoul 02500South Korea Department of Obstetrics and Gynecology Sahmyook Medical CenterSeoul 02500South Korea

BACKGROUND Meralgia paresthetica(MP)is an entrapment mononeuropathy of the lateral femoral cutaneous nerve(LFCN).Although structural abnormalities in nerve tissues can be confirmed using ultrasonography,this is not routinely *** SUMMARY Herein,we present the case of a 52-year-old woman who developed MP after laparoscopic gynecological *** patient was referred to our clinic from an obstetrics and gynecology clinic with symptoms of numbness and a tingling sensation in the left anterolateral thigh,which developed after surgery performed 5 mo *** were performed to assess the disease status and determine the underlying *** examination revealed an anatomical variation,where the left LFCN was entrapped within the inguinal *** case suggests that performing ultrasonographic examination before and after surgery in the lithotomy position could help prevent *** This case demonstrates the value of ultrasonography in detecting anatomical variation and diagnosing persistent *** should be considered an adjunct to electromyography for optimal MP ***,this case would help other clinicians determine patient prognosis and decide on targeted treatment strategies.

关键词： Lateral femoral cutaneous nerve Anatomical variation Meralgia paresthetica Lithotomy position Ultrasonography Case report

Estimation of plasma parameters of X-pinch with time-resolved x-ray spectroscopy

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Matter and Radiation at Extremes 2023年第3期8卷 34-46页

作者： Seunggi Ham Jonghyeon Ryu Hakmin Lee Sungbin park Y.-C.Ghim Y.S.Hwang Kyoung-jae Chung Department of Energy Systems Engineering Seoul National UniversitySeoul 08826South Korea Department of Nuclear and Quantum Engineering KAISTDaejeon 34141South Korea

We estimate the parameters of a Cu plasma generated by an X-pinch by comparing experimentally measured x-rays with synthetic data.A filtered absolute extreme ultraviolet diode array is used to measure time-resolved x-ray spectra with a spectral resolution of∼1 keV in the energy range of 1–10 *** synthetic spectra of Cu plasmas with different electron temperatures,electron densities,and fast electron fractions are calculated using the FLYCHK *** quantitative comparison with the measured spectrum,two x-ray power ratios with three different spectral ranges are *** observe three x-ray bursts in X-pinch experiments with two Cu wires conducted on the SNU X-pinch at a current rise rate of∼0.2 kA/*** of the spectra reveals that the first burst comprises x-rays emitted by hot spots and electron beams,with characteristics similar to those observed in other *** second and third bursts are both generated by longlived electron beams formed after the neck structure has been completely *** the second burst,the formation of the electron beam is accompanied by an increase in the electron density of the background ***,the long-lived electron beams generate the additional strong x-ray bursts while maintaining a plasma channel in the central region of the ***,they emit many hard x-rays(HXRs),enabling the SNU X-pinch to be used as an HXR *** study confirms that the generation of long-lived electron beams is crucial to the dynamics of X-pinches and the generation of strong HXRs.

关键词： resolved parameters absolute

The Effect of Diffuser Angle on the Discharge Coefficient of a Miniature Critical Nozzle

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Journal of Thermal Science 2010年第3期19卷 222-227页

作者： jae hyung Kim Heuy Dong Kim Toshiaki Setoguchi School of Mechanical Engineering Andong National UniversityAndong760-749Korea Department of Mechanical Engineering Saga University1HonjoSagaJapan

Many researches on critical nozzles have been performed to accurately measure the mass flow rate of gas flow,and to standardize the performance as a flow ***,much interest is being paid on the measurement of very small mass flow rate in industry fields such as MEMS ***,the design and performance data of the critical nozzles obtained so far have been applied mainly to the critical nozzles with comparatively large diameters,and the works available on miniature critical nozzles are *** the present study,a computational fluid dynamics method has been applied to investigate the influence of the diffuser angle on discharge coefficient of the miniature critical *** computations,the throat diameter of critical nozzle is varied from 0.2 mm to 5.0 mm and the diffuser angle is changed from 2 deg to 8 *** computational results are validated with some experimental data *** results show that the present computational results predict appropriately the discharge coefficient of the gas flows through miniature critical *** is known that the discharge coefficient is considerably influenced by the diffuser angle,as the throat diameter of nozzle becomes small below a certain *** implies that the miniature critical nozzles should be carefully designed.

关键词：喷嘴直径扩散角微型临界质量流量放电流动性能计算系数

Parameterization of below-cloud scavenging for polydisperse fine mode aerosols as a function of rain intensity

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Journal of Environmental Sciences 2023年第10期132卷 43-55页

作者： Chang Hoon Jung hyung-Min Lee Dasom park Young Jun Yoon Yongjoo Choi Junshik Um Seoung Soo Lee Ji Yi Lee Yong Pyo Kim Department of Health Management Kyungin Women’s UniversityIncheon 21041Korea Department of Environmental Science and Engineering Ewha Woman’s UniversitySeoulKorea Department of Environmental Engineering Konkuk UniversitySeoulKorea Korea Polar Research Institute IncheonKorea Department of Environment Hankuk University of Foreign StudiesYonginKorea Department of Atmospheric Sciences Pusan National UniversityBusanKorea Earth System Science Interdisciplinary Center University of MarylandCollege ParkMDUSA Research Center for Climate Sciences Pusan National UniversityBusanKorea Department of Chemical Engineering and Materials Science Ewha Womans UniversitySeoulKorea

The below-cloud aerosol scavenging process by precipitation is one of the most important mechanisms to remove aerosols from the *** to its complexity and dependence on both aerosol and raindrop sizes,wet scavenging process has been poorly treated,especially during the removal of fine *** makes the numerical simulation of below-cloud scavenging in large-scale aerosolmodels *** consider the slip effects of submicron particles,a simplified expression for the diffusion scavenging was developed by approximating the Cunningham slip correction *** derived analytic solution was parameterized as a simple power function of rain intensity under the assumption of the lognormal size distribution of *** resultant approximated expression was compared to the observed data and the results of previous studies including a 3D atmospheric chemical transport model *** with the default GEOS-Chem coefficient of 0.00106R0.61 and the observation-based coefficient of 0.0144R0.9268,the coefficient of a and b in∧m=aRb spread in the range of 0.0002-0.1959 for a and 0.3261-0.525 for b over a size distribution of GSD of 1.3–2.5 and a geometric mean diameter of 0.01-2.5μ***,this study showed that the scavenging coefficient varies widely by orders of magnitude according to the size distribution of particles and rain *** study also demonstrated that the obtained simplified expression could consider the theoretical approach of aerosol *** proposed analytic approach showed that results can be effectively applied for reduced computational burden in atmospheric modeling.

关键词： Below-cloud scavenging Polydisperse aerosol Parameterization Cunningham correction factor Scavenging coefficient

Materials and extracellular matrix rigidity highlighted in tissue damages and diseases:Implication for biomaterials design and therapeutic targets

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Bioactive Materials 2023年第2期20卷 381-403页

作者： jae Hee park Seung Bin Jo Jung-Hwan Lee Hae-Hyoung Lee Jonathan CKnowles Hae-Won Kim Institute of Tissue Regeneration Engineering(ITREN) Dankook UniversityCheonan31116Republic of Korea Department of Nanobiomedical Science and BK21 NBM Global Research Center for Regenerative Medicine Dankook UniversityCheonan31116Republic of Korea Department of Biomaterials Science College of DentistryDankook UniversityCheonan31116Republic of Korea Cell&Matter Institute Dankook UniversityCheonan31116Republic of Korea Mechanobiology Dental Medicine Research Center Dankook UniversityCheonan31116Republic of Korea UCL Eastman-Korea Dental Medicine Innovation Centre Dankook UniversityCheonan31116Republic of Korea Division of Biomaterials and Tissue Engineering UCL Eastman Dental InstituteUniversity College LondonRoyal Free HospitalRowland Hill StreetLondonNW32PFUnited Kingdom

Rigidity(or stiffness)of materials and extracellular matrix has proven to be one of the most significant extracellular physicochemical cues that can control diverse cell behaviors,such as contractility,motility,and spreading,and the resultant pathophysiological *** 2D materials engineered with tunable rigidity have enabled researchers to elucidate the roles of matrix biophysical cues in diverse cellular events,including migration,lineage specification,and mechanical ***,the recent findings accumulated under 3D environments with viscoelastic and remodeling properties pointed to the importance of dynamically changing rigidity in cell fate control,tissue repair,and disease ***,here we aim to highlight the works related with material/matrix-rigidity-mediated cell and tissue behaviors,with a brief outlook into the studies on the effects of material/matrix rigidity on cell behaviors in 2D systems,further discussion of the events and considerations in tissue-mimicking 3D conditions,and then examination of the in vivo findings that concern material/matrix *** current discussion will help understand the material/matrix-rigidity-mediated biological phenomena and further leverage the concepts to find therapeutic targets and to design implantable materials for the treatment of damaged and diseased tissues.

关键词： Matrix rigidity Biophysical cue Cell and tissue engineering 3D biomaterials conditions Therapeutic targets