检索结果-南通市图书馆

The ReaxFF reactive force-field: development, applications and future directions

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

npj Computational Materials 2016年第1期2卷 202-215页

作者： Thomas P Senftle Sungwook Hong Md Mahbubul Islam Sudhir B Kylasa Yuanxia Zheng yun kyung shin Chad Junkermeier Roman Engel-Herbert Michael J Janik Hasan Metin Aktulga Toon Verstraelen Ananth Grama Adri CT van Duin Department of Chemical Engineering Pennsylvania State UniversityUniversity ParkPAUSA Department of Mechanical and Nuclear Engineering Pennsylvania State UniversityUniversity ParkPAUSA Department of Computer Science and Engineering PurdueWest LafayetteINUSA Department of Materials Science and Engineering Pennsylvania State UniversityUniversity ParkPAUSA Department of Computer Science and Engineering Michigan State UniversityEast LansingMIUSA Center for Molecular Modeling(CMM) Ghent UniversityZwijnaardeBelgium

The reactive force-field(ReaxFF)interatomic potential is a powerful computational tool for exploring,developing and optimizing material *** based on the principles of quantum mechanics(QM),while offering valuable theoretical guidance at the electronic level,are often too computationally intense for simulations that consider the full dynamic evolution of a ***,empirical interatomic potentials that are based on classical principles require significantly fewer computational resources,which enables simulations to better describe dynamic processes over longer timeframes and on larger *** methods,however,typically require a predefined connectivity between atoms,precluding simulations that involve reactive *** ReaxFF method was developed to help bridge this *** the gap from the classical side,ReaxFF casts the empirical interatomic potential within a bond-order formalism,thus implicitly describing chemical bonding without expensive QM *** article provides an overview of the development,application,and future directions of the ReaxFF method.

关键词： properties directions bonding

Multiscale computational understanding and growth of 2D materials:a review

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

npj Computational Materials 2020年第1期6卷 1484-1501页

作者： Kasra Momeni Yanzhou Ji Yuanxi Wang Shiddartha Paul Sara Neshani Dundar E.Yilmaz yun kyung shin Difan Zhang Jin-Wu Jiang Harold S.Park Susan Sinnott Adri van Duin Vincent Crespi Long-Qing Chen Mechanical Engineering Department Louisiana Tech UniversityRustonLA 71272USA Department of Mechanical Engineering University of AlabamaTuscaloosaALUSA Institute for Micromanufacturing Louisiana Tech UniversityRustonLAUSA Materials Research Institute The Pennsylvania State UniversityUniversity ParkPA 16802USA Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPA 16802USA 2-Dimensional Crystal Consortium The Pennsylvania State UniversityUniversity ParkPA 16802USA Department of Physics The Pennsylvania State UniversityUniversity ParkPA 16802USA Department of Electrical Engineering Iowa State UniversityAmesIA 50010USA Mechanical Engineering Department The Pennsylvania State UniversityUniversity ParkPA 16802USA Shanghai Institute of Applied Mathematics and Mechanics Shanghai Key Laboratory of Mechanics in Energy EngineeringShanghai UniversityShanghai 200072China Department of Mechanical Engineering Boston UniversityBostonMA 02215USA Department of Engineering Science and Mechanics The Pennsylvania State UniversityUniversity ParkPA 16802USA Department of Mathematics The Pennsylvania State UniversityUniversity ParkPA 16802USA

The successful discovery and isolation of graphene in 2004,and the subsequent synthesis of layered semiconductors and heterostructures beyond graphene have led to the exploding field of two-dimensional(2D)materials that explore their growth,new atomic-scale physics,and potential device *** review aims to provide an overview of theoretical,computational,and machine learning methods and tools at multiple length and time scales,and discuss how they can be utilized to assist/guide the design and synthesis of 2D materials beyond graphene.

关键词： synthesis utilized subsequent

Digestive gland ultrastructure of the tunicate,Halocynthia roretzi(Ascidiacea:Pyuridae)in relation to function

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Journal of Coastal Life Medicine 2014年第12期 947-952页

作者： yun kyung shin Jung Jun Park Jeong-In Myeong Mi Ae Jeon Jung Sick Lee Aquaculture Management Division Aquaculture Research InstituteNFRDIBusan 619-902Republic of Korea Department of Aqualife Medicine Chonnam National UniversityYeosu 550-749Republic of Korea

Objective:To examine the glycogen storage and lipid digestion,as well as detoxification of the digestive gland of the tunicate,Halocynthia ***:Tunicates used in this study were collected from tunicate aquafarm located in Hansan Bay on the southern coast of *** and electron microscopy was ***:The digestive gland was divided into the tubular and blind ampulla *** vacuolar granules were present,and lipofuscin granules were confirmed in the cytoplasm of the epithelia of the blind ampulla *** cells of the blind ampulla portion could be classified into three ***:The results indicate that these three types of cells are involved in glycogen storage,lipid digestion and detoxification.

关键词： Detoxification Digestive gland epithelia Glycogen Halocynthia roretzi Lipid

Factors affecting length of stay according to bronchopulmonary dysplasia severity:a nationwide cohort study in Korea

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

World Journal of Pediatrics 2024年第5期20卷 470-480页

作者： Hye Mi Lee Jeongmin shin Sae yun Kim So Young Kim Department of Pediatrics College of MedicineThe Catholic University of KoreaSeoulRepublic of Korea Department of Pediatrics Yeouido St.Mary’s HospitalCollege of MedicineThe Catholic University of Korea1063-roYeongdeungpo-guSeoul07345Republic of Korea

Background Longer hospitalizations for preterm infants with bronchopulmonary dysplasia(BPD)delay developmental outcomes,increase the risk for hospital-acquired complications,and exert a substantial socioeconomic *** study aimed to identify factors associated with an extended length of stay(LOS)at different levels of severity of *** A cohort study was conducted using the Korean Neonatal Network registry of very low birth weight infants with BPD between 2013 and 2017 through retrospective *** A total of 4263 infants were diagnosed with *** mild BPD,infants requiring surgical treatment for patent ductus arteriosus needed a longer LOS[eadjustedβcoefficients(adjβ)1.041;95%confidence interval(CI):0.01–0.08]and hydrocephalus(eadjβ1.094;95%CI 0.01–0.17).In moderate BPD,infants administered steroids or with intraventricular hemorrhage required a longer LOS(eadjβ1.041;95%CI 0.00–0.07 and eadjβ1.271;95%CI 0.11–0.38,respectively).In severe BPD,infants with comorbidities required a longer LOS:pulmonary hypertension(eadjβ1.174;95%CI 0.09–0.23),administrated steroid for BPD(eadjβ1.116;95%CI 0.07–0.14),sepsis(eadjβ1.062;95%CI 0.01–0.11),patent ductus arteriosus requiring surgical ligation(eadjβ1.041;95%CI 0.00–0.08),and intraventricular hemorrhage(eadjβ1.016;95%CI 0.05–0.26).Additionally,the higher the clinical risk index score,the longer the LOS needed for infants in all *** The factors affecting LOS differed according to the severity of *** approaches to reducing LOS may be devised using knowledge of the various risk factors affecting LOS by BPD severity.

关键词： Bronchopulmonary dysplasia Length of stay Very low birth weight

Virtual Keyboard:A Real-Time Hand Gesture Recognition-Based Character Input System Using LSTM and Mediapipe Holistic

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Computer Systems Science & Engineering 2024年第2期48卷 555-570页

作者： Bijon Mallik Md Abdur Rahim Abu Saleh Musa Miah Keun Soo yun Jungpil shin Department of Computer Science and Engineering Pabna University of Science and TechnologyPabna6600Bangladesh School of Computer Science and Engineering The University of AizuAizuwakamatsuFukushima965-8580Japan School of Computer and Information Technology Ulsan CollegeDong-guUlsan44610South Korea

In the digital age,non-touch communication technologies are reshaping human-device interactions and raising security concerns.A major challenge in current technology is the misinterpretation of gestures by sensors and cameras,often caused by environmental *** issue has spurred the need for advanced data processing methods to achieve more accurate gesture recognition and *** study presents a novel virtual keyboard allowing character input via distinct hand gestures,focusing on two key aspects:hand gesture recognition and character input *** developed a novel model with LSTM and fully connected layers for enhanced sequential data processing and hand gesture *** also integrated CNN,max-pooling,and dropout layers for improved spatial feature *** model architecture processes both temporal and spatial aspects of hand gestures,using LSTM to extract complex patterns from frame sequences for a comprehensive understanding of input *** unique dataset,essential for training the model,includes 1,662 landmarks from dynamic hand gestures,33 postures,and 468 face landmarks,all captured in real-time using advanced pose *** model demonstrated high accuracy,achieving 98.52%in hand gesture recognition and over 97%in character input across different *** excellent performance in real-time testing underlines its practicality and effectiveness,marking a significant advancement in enhancing human-device interactions in the digital age.

关键词： Hand gesture recognition M.P.holistic open CV virtual keyboard LSTM human-computer interaction

Glucose-mediated mitochondrial reprogramming by cholesterol export at TM4SF5-enriched mitochondria-lysosome contact sites

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Cancer Communications 2024年第1期44卷 47-75页

作者： Ji Eon Kim So-Young Park Chulhwan Kwak Yoonji Lee Dae-Geun Song Jae Woo Jung Haesong Lee Eun-Ae shin Yangie Pinanga kyung-hee Pyo Eun Hae Lee Wonsik Kim Soyeon Kim Chang-Duck Jun Jeanho yun Sun Choi Hyun-Woo Rhee Kwang-Hyeon Liu Jung Weon Lee Department of Pharmacy College of PharmacySeoul National UniversitySeoulRepublic of Korea Research Institute of Pharmaceutical Sciences College of PharmacySeoul National UniversitySeoulRepublic of Korea BK21 FOUR Community-Based Intelligent Novel Drug Discovery Education Unit College of Pharmacy and Research Institute of Pharmaceutical SciencesKyungpook National UniversityDaeguRepublic of Korea Department of Chemistry Seoul National UniversitySeoulRepublic of Korea College of Pharmacy Chung-Ang UniversitySeoulRepublic of Korea Natural Product Informatics Research Center Korea Institute of Science and Technology(KIST)Gangneung-siGangwon-doRepublic of Korea School of Life Sciences Gwangju Institute of Science and Technology(GIST)GwangjuRepublic of Korea Department of Biochemistry College of MedicineDong-A UniversityBusanRepublic of Korea Global AI Drug Discovery Center College of Pharmacy and Graduate School of Pharmaceutical SciencesEwha Womans UniversitySeoulRepublic of Korea Interdisciplinary Program in Genetic Engineering Seoul National UniversitySeoulRepublic of Korea

Background:Transmembrane 4 L six family member 5(TM4SF5)translocates subcellularly and functions metabolically,although it is unclear how intracellu-lar TM4SF5 translocation is linked to metabolic *** is thus of interests to understand how the traffic dynamics of TM4SF5 to subcellular endosomal membranes are correlated to regulatory roles of ***:Here,we explored the metabolic significance of TM4SF5 localization at mitochondria-lysosome contact sites(MLCSs),using in vitro cells and in vivo animal systems,via approaches by immunofluorescence,proximity labelling based proteomics analysis,organelle reconstitution ***:Upon extracellular glucose repletion following depletion,TM4SF5 became enriched at MLCSs via an interaction between mitochondrial FK506-binding protein 8(FKBP8)and lysosomal *** labeling showed molecular clustering of phospho-dynamic-related protein I(DRP1)and certain mitophagy receptors at TM4SF5-enriched MLCSs,leading to mitochondrial fis-sion and ***4SF5 bound NPC intracellular cholesterol transporter 1(NPC1)and free cholesterol,and mediated export of lysosomal cholesterol to mitochondria,leading to impaired oxidative phosphorylation but intact tri-carboxylic acid(TCA)cycle andβ-*** mouse models,hepatocyte Tm4sf5 promoted mitophagy and cholesterol transport to mitochondria,both with positive relations to liver ***:Our findings suggested that TM4SF5-enriched MLCSs regu-late glucose catabolism by facilitating cholesterol export for mitochondrial reprogramming,presumably while hepatocellular carcinogenesis,recapitulating aspects for hepatocellular carcinoma metabolism with mitochondrial repro-gramming to support biomolecule synthesis in addition to glycolytic energetics.

关键词： cholesterol fluorescent imaging glucose catabolism hepatocellular carcinogenesis mem-brane contact sites mitochondria function mitophagy oxidative phosphorylation protein-protein interaction tetraspanin

Defect Engineering in Earth-Abundant Cu2ZnSnSe4 Absorber Using Efficient Alkali Doping for Flexible and Tandem Solar Cell Applications

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Energy & Environmental Materials 2024年第2期7卷 253-260页

作者： Muhammad Rehan Ara Cho Inyoung Jeong Kihwan Kim Asmat Ullah Jun-Sik Cho Joo Hyung Park yunae Jo Sung Jun Hong Seung Kyu Ahn SeJin Ahn Jae Ho yun Jihye Gwak Donghyeop shin Photovoltaics Research Department Korea Institute of Energy Research (KIER) Department of Renewable Energy Engineering University of Science and Technology (UST) Korea Institute of Energy Technology (KENTECH)

To demonstrate flexible and tandem device applications, a low-temperature Cu2ZnSnSe4（CZTSe） deposition process, combined with efficient alkali doping, was developed. First, high-quality CZTSe films were grown at480 °C by a single co-evaporation, which is applicable to polyimide（PI）substrate. Because of the alkali-free substrate, Na and K alkali doping were systematically studied and optimized to precisely control the alkali distribution in CZTSe. The bulk defect density was significantly reduced by suppression of deep acceptor states after the（Na F + KF） PDTs. Through the low-temperature deposition with（Na F + KF） PDTs, the CZTSe device on glass yields the best efficiency of 8.1% with an improved VOCdeficit of646 m V. The developed deposition technologies have been applied to *** the first time, we report the highest efficiency of 6.92% for flexible CZTSe solar cells on PI. Additionally, CZTSe devices were utilized as bottom cells to fabricate four-terminal CZTSe/perovskite tandem cells because of a low bandgap of CZTSe（～1.0 e V） so that the tandem cell yielded an efficiency of 20%. The obtained results show that CZTSe solar cells prepared by a low-temperature process with in-situ alkali doping can be utilized for flexible thin-film solar cells as well as tandem device applications.

关键词： alkali doping Earth-abundant Cu2ZnSnSe4 flexible solar cells four-terminal tandem cells low-temperature process

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

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

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

Effect of process parameters on electrical,optical properties of IZO films produced by inclination opposite target type DC magnetron sputtering

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

中国有色金属学会会刊：英文版 2009年第4期19卷 997-1000页

作者： Do-Hoon shin yun-Hae KIM Joong-Won HAN kyung-Man MOON Ri-Ichi MURAKAMI Korean Air Aerospace Division Department of Mechanical and Material Engineering Korea Maritime University Department of Mechanical Engineering The University of Tokushima

IZO films were deposited onto PET substrate at room temperature with the inclined opposite target type DC magnetron sputtering equipment,in which a sintered oxide IZO target(doped with 10% ZnO,packing density of 99.99%) was *** effects of total sputtering pressure and film thickness on IZO films properties were *** the films produced at room temperature have a amorphous structure,irrespective of the total sputtering pressure and film thickness.A resistivity of the order of 10-4 Ωcm was obtained for IZO films deposited at lower pressure(film thickness of 190 nm).The resistivity of IZO films deposited at room temperature depends on film thickness and shows a minimum at a thickness of 530 nm.

关键词：溅射薄膜工艺参数光学性能磁控直流类型薄膜厚度电力