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Computational design of Mg alloys with minimal galvanic corrosion

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Journal of Magnesium and Alloys 2022年第7期10卷 1972-1980页

作者： Krishnamohan Thekkepat Hyung-Seop Han Ji-Won Choi Seung-Cheol Lee Eul Sik Yoon Guangzhe Li Hyun-Kwang Seok Yu-Chan Kim Jae-Hun Kim Pil-Ryung Cha Indo-korea Science and technology Center JakkurBangalore 560065India Division of Nano&Information technology KIST SchoolKorea University of Science and TechnologySeoul 02792Republic of Korea Electronic Materials Research Center Korea Institute of Science and TechnologySeoul 02792Republic of Korea Center for Biomaterials Biomedical Research InstituteKorea Institute of Science and TechnologySeoul 02792Republic of Korea Department of Plastic and Reconstructive Surgery Korea University College of MedicineSeoul 02841Republic of Korea Division of Bio-Medical Science and technology KIST SchoolKorea University of Science and TechnologySeoul 02792Republic of Korea School of Advanced Materials Engineering Kookmin UniversitySeoul 02707Republic of Korea

Formation of galvanic cells between constituent phases is largely responsible for corrosion in Mg-based *** develop a methodology to calculate the electrochemical potentials of intermetallic compounds and alloys using a simple model based on the Born-Haber *** electrochemical potentials are used to predict and control the formation of galvanic cells and minimize *** demonstrate the applicability of our model by minimizing galvanic corrosion in Mg-3wt%Sr-x Zn alloy by tailoring the Zn *** methodology proposed in this work is applicable for any general alloy system and will facilitate efficient design of corrosion resistant alloys.

关键词： Galvanic corrosion First-principles Cluster expansion Thermodynamics Modeling Magnesium alloys

Kohn–Sham time-dependent density functional theory with Tamm–Dancoff approximation on massively parallel GPUs

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npj Computational Materials 2023年第1期9卷 1556-1567页

作者： Inkoo Kim Daun Jeong Won-Joon Son Hyung-Jin Kim Young Min Rhee Yongsik Jung Hyeonho Choi Jinkyu Yim Inkook Jang Dae Sin Kim Innovation Center Samsung ElectronicsHwaseong 18448Republic of Korea Department of Chemistry Korea Advanced Institute of Science and Technology(KAIST)Daejeon 34141Republic of Korea Samsung Advanced institute of technology Samsung ElectronicsSuwon 16678Republic of Korea

We report a high-performance multi graphics processing unit(GPU)implementation of the Kohn–Sham time-dependent density functional theory(TDDFT)within the Tamm–Dancoff *** algorithm on massively parallel computing systems using multiple parallel models in tandem scales optimally with material size,considerably reducing the computational wall time.A benchmark TDDFT study was performed on a green fluorescent protein complex composed of 4353 atoms with 40,518 atomic orbitals represented by Gaussian-type functions,demonstrating the effect of distant protein residues on the *** the largest molecule attempted to date to the best of our knowledge,the proposed strategy demonstrated reasonably high efficiencies up to 256 GPUs on a custom-built state-of-the-art GPU computing system with Nvidia A100 *** believe that our GPU-oriented algorithms,which empower first-principles simulation for very large-scale applications,may render deeper understanding of the molecular basis of material behaviors,eventually revealing new possibilities for breakthrough designs on new material systems.

关键词： GPUs graphics massive

Optimization of Waveguide Structure for Tunable Optical Switch in Si/SiGe System

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光学学报 2003年第S1期23卷 263-264页

作者： Seongjae Boo Won-Taek Han korea institute of Industrial technology (KITECH) Department of Information and Communications Kwangju Institute of Science and Technology (K-JIST) 1 Oryong-dong Buk-gu Gwangju 500-712 South Korea

A new electro-optical device using Si/SiGe-system with two parallel ridge waveguides is proposed for optical switching and the optimization of the structure for a single mode operation is investigated.

关键词： for it of Optimization of Waveguide Structure for Tunable Optical Switch in Si/SiGe System in

Synthesis of Nano-sized Barium Titanate Powder by Solid-state Reaction between Barium Carbonate and Titania

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Journal of Materials Science & technology 2007年第5期23卷 655-658页

作者： U.Manzoor D.K.Kim Department of Physics COMSATS Institute of Information TechnologyIslamabadPakistan Department of Materials Science and Engineering Korea Advanced Institute of Science and Technology(KAIST)DaejeonKorea

Size control of BaTiO3 in solid-state reaction between BaCO3 and TiO2 was demonstrated by varying the size of TiO2 and milling conditions of BaCO3. The smaller TiO2 particles had higher surface area, resulting in faster initial reaction. The mechanically milled BaCO3 particles accelerated the diffusion process and decreased the calcinations temperature. It can be deduced from the results that the size control is possible and nano-sized BaTiO3 particles with about 60 nm can be synthesized by using the conventional solid-state reaction between BaCO3 and TiO2.

关键词： Barium tltanate Mechanical milling Solid-state reaction Nano particles

Gold nanoparticle-assisted delivery of brain-derived neurotrophic factor to cerebral organoids

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Nano Research 2022年第4期15卷 3099-3105页

作者： Sung Bum Park Hye-Jin Cho Sang Rin Moon Kyoung Jin Choi Won Hoon Jung Ki Young Kim Byumseok Koh Therapeutics and Biotechnology Division Korea Research Institute of Chemical Technology141 Gajeong-roYuseong-guDaejeon 34114Republic of Korea Chemical Platform technology Division Korea Research Institute of Chemical Technology141 Gajeong-roYuseong-guDaejeon 34114Republic of Korea

Gold nanoparticle(AuNP)-assisted delivery of proteins/drugs to cells or in vivo systems has long been ***,their interaction with in vivo mimicking organoids is still largely ***,we conjugated brain-derived neurotropic factor(BDNF)to the AuNP surface and monitored how AuNP-BDNF interacts with cerebral *** suggest that AuNP-BDNF can successfully enter cerebral organoids and can be found up to 15.21μm inside cerebral ***-BDNF does not induce significant cytotoxicity to cerebral organoids at concentrations up to 2 nM and increases the expression of 75 genes compared to control cerebral *** data suggest the successful delivery of BDNF through AuNP-BDNF conjugation in cerebral organoids,and the conjugation can affect its differentiation.

关键词： gold nanoparticles cerebral organoids delivery penetration differentiation viability

Additive manufacturing of flexible 3D surface electrodes for electrostatic adhesion control and smart robotic gripping

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Friction 2023年第11期11卷 1974-1986页

作者： dong Geun KIM Hyeongmin JE AJohn HART Sanha KIM Department of Mechanical Engineering Korea Advanced Institute of Science and TechnologyDaejeon 34141Republic of Korea Department of Mechanical Engineering Massachusetts Institute of TechnologyCambridgeMA 02139USA

Mechanically flexible surface structures with embedded conductive electrodes are attractive in contact-based devices,such as those used in reversible dry/adhesion and tactile *** shapes of the surface structures strongly determine the contact behavior and therefore the resulting adhesion and sensing functionalities;however,available features are often restricted by fabrication ***,we additively manufacture elastomeric structure arrays with diverse angles,shapes,and sizes;this is followed by integration of conductive nanowire *** fabricated flexible three-dimensional(3D)surface electrodes are mechanically compliant and electrically conductive,providing multifunctional ability to sense touch and to switch adhesion via a combined effect of shear-and electro *** designed soft,anisotropic flexible structures to mimic the gecko’s reversible adhesion,which is governed by van der Waals forces;we integrated nanowires to further manipulate the localized electric field among the adjacent flexible 3D surface electrodes to provide additional means to digitally tune the electrostatic attraction at the contact *** addition,the composite surface can sense the contact force via capacitive *** our flexible 3D surface electrodes,we demonstrate a complete soft gripper that can grasp diverse convex objects,including metal,ceramic,and plastic products,as well as fresh fruits,and that exhibits 72%greater electroadhesive gripping force when voltage is applied.

关键词： electroadhesion tactile sensing robotic gripper additive manufacturing dry adhesive

Down-scaled regional ocean modeling system (ROMS) for high-resolution coastal hydrodynamics in korea

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Acta Oceanologica Sinica 2013年第9期32卷 50-61页

作者： LIM Hak-Soo KIM Chang S PARK Kwang-Soon SHIM Jae Seol CHUN Insik korea institute of Ocean Science and technology Konkuk University

A down-scaled operational oceanographic system is developed for the coastal waters of korea using a re- gional ocean modeling system （ROMS）. The operational oceanographic modeling system consists of at- mospheric and hydrodynamic models. The hydrodynamic model, ROMS, is coupled with wave, sediment transport, and water quality modules. The system forecasts the predicted results twice a day on a 72 h basis, including sea surface elevation, currents, temperature, salinity, storm surge height, and wave information for the coastal waters of korea. The predicted results are exported to the web-GIS-based coastal informa- tion system for real-time dissemination to the public and validation with real-time monitoring data using visualization technologies. The ROMS is two-way coupled with a simulating waves nearshore model, SWAN, for the hydrodynamics and waves, nested with the meteorological model, WRE for the atmospheric surface forcing, and externally nested with the eutrophication model, CE-QUAL-ICM, for the water quality. The op- erational model, ROMS, was calibrated with the tidal surface observed with a tide-gage and verified with current data observed by bottom-mounted ADCP or AWAC near the coastal waters of korea. To validate the predicted results, we used real-time monitoring data derived from remote buoy system, HF-radar, and geostationary ocean color imager （GOCI）. This down-scaled operational coastal forecasting system will be used as a part of the korea operational oceanographic system （KOOS） with other operational oceanographic systems.

关键词： down-scaled operational oceanographic system regional ocean modeling system wave coupledmodel real-time monitoring system

The complex of Fas-associated factor 1 with Hsp70 stabilizes the adherens junction integrity by suppressing RhoA activation

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Journal of Molecular Cell Biology 2022年第6期14卷 14-29页

作者： Soonhwa Song Joon Kyu Park Sang Chui Shin Jae-Jin Lee Seung Kon Hong In-Kang Song Bokyung Kim Eun Joo Song Kong-Joo Lee Eunice EunKyeong Kim Graduate School of Pharmaceutical Sciences College of PharmacyEwha Womans UniversitySeoul 03760Republic of Korea Biomedical Research institute Korea Institute of Science and Technology(KIST)Seoul 02792Republic of Korea technology Support Center Korea Institute of Science and Technology(KIST)Seoul 02792Republic of Korea

Fas-associated factor 1 (FAF1) is a scaffolding protein that plays multiple functions, and dysregulation of FAF1 is associated withmany types of diseases such as cancers. FAF1 contains multiple ubiquitin-related domains (UBA, UBL1, UBL2, UAS, and UBX), eachdomain interacting with a specific partner. In particular, the interaction of UBL1 with heat shock protein 70 (Hsp70) is associatedwith tumor formation, although the molecular understanding remains unknown. In this study, the structural analysis revealed thatHis160 of FAF1 is important for its interaction with Hsp70. The association of Hsp70 with FAF1 is required for the interaction withIQGAP1. FAF1 negatively regulates RhoA activation by FAF1–Hsp70 complex formation, which then interacts with IQGAP1. Thesesteps play a key role in maintaining the stability of cell-to-cell junction. We conclude that FAF1 plays a critical role in the structureand function of adherens junction during tissue homeostasis and morphogenesis by suppressing RhoA activation, which induces theactivation of Rho-associated protein kinase, phosphorylation of myosin light chain, formation of actin stress fiber, and disruptionof adherens junction. In addition, depletion of FAF1 increased collective invasion in a 3D spheroid cell culture. These results provideinsightinto how the FAF1–Hsp70 complex acts as a novelregulator ofthe adherens junction integrity. The complex can be a potentialtherapeutic target to inhibit tumorigenesis and metastasis.

关键词： human Fas-associated factor 1(FAF1) heat shock protein 70(Hsp70) adherens junction RhoA activation IQGAP1 X-ray crystallography FAF1–Hsp70 complex

Fast distributed and parallel pre-processing on massive satellite data using grid computing

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Journal of Central South University 2014年第10期21卷 3850-3855页

作者： Wongoo Lee Yunsoo Choi Kangryul Shon Jaesoo Kim NTIS Center Korea Institute of Science and Technology Information

Distributed/parallel-processing system like sun grid engine(SGE) that utilizes multiple nodes/cores is proposed for the faster processing of large sized satellite image data. After verification, distributed process environment for pre-processing performance can be improved by up to 560.65% from single processing system. Through this, analysis performance in various fields can be improved, and moreover, near-real time service can be achieved in near future.

关键词： satellite data image processing computation intensive computing