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Towards understanding structure–property relations in materials with interpretable deep learning

npj Computational Materials 2023年第1期9卷 157-168页

作者： tien-Sinh Vu minh-Quyet Ha Duong-Nguyen Nguyen Viet-Cuong Nguyen Yukihiro Abe Truyen tran Huan tran Hiori Kino Takashi Miyake Koji Tsuda Hieu-Chi Dam Japan Advanced Institute of Science and Technology NomiIshikawaJapan HPC SYSTEMS Inc. MinatoTokyoJapan Applied Artificial Intelligence Institute Deakin UniversityGeelongVICAustralia School of Materials Science and Engineering Georgia Institute of TechnologyAtlantaGAUSA Research and Services Division of Materials Data and Integrated System National Institute for Materials ScienceTsukubaIbarakiJapan Research Center for Computational Design of Advanced Functional Materials National Institute of Advanced Industrial Science and TechnologyTsukubaIbarakiJapan Department of Computational Biology and Medical Sciences Graduate School of Frontier SciencesUniversity of TokyoKashiwa-shiChiba-kenJapan International Center for Synchrotron Radiation Innovation Smart(SRIS) Tohoku UniversityAoba-kuSendaiJapan

Deep learning(DL)models currently employed in materials research exhibit certain limitations in delivering meaningful information for interpreting predictions and comprehending the relationships between structure and material *** address these limitations,we propose an interpretable DL architecture that incorporates the attention mechanism to predict material properties and gain insights into their structure–property *** proposed architecture is evaluated using two well-known datasets(the QM9 and the Materials Project datasets),and three in-house-developed computational materials ***–test–split validations confirm that the models derived using the proposed DL architecture exhibit strong predictive capabilities,which are comparable to those of current state-of-the-art ***,comparative validations,based on first-principles calculations,indicate that the degree of attention of the atoms’local structures to the representation of the material structure is critical when interpreting structure–property relationships with respect to physical *** properties encompass molecular orbital energies and the formation energies of *** proposed architecture shows great potential in accelerating material design by predicting material properties and explicitly identifying crucial features within the corresponding structures.

关键词： properties property structure

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Structural and luminescent properties of (Eu,Tb) PO_4·H_2O nanorods/nanowires prepared by microwave technique

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Journal of Rare Earths 2011年第12期29卷 1170-1173页

作者： Nguyen Thanh Huong Nguyen Duc Van Dinh Manh tien Do Khanh Tung Nguyen Thanh Binh tran Kim Anh Le Quoc minh Institute of Materials Science Vietnam Academy of Science and Technology University of Engineering and Technology National University HanoiVietnam

Nanowires/nanorods of europium/terbium orthophosphate monohydrate with Eu^3＋ concentration of 6, 11, and 20 at.% were prepared by microwave synthesis method. The effects of Eu^3＋ doping concentration on structure, morphology and optical properties of nanomaterials were also investigated. The results showed that, for all studied Eu^3＋ doping concentrations, a single-crystalline phase of rhabdophane-type （Eu,Tb）PO4·H2O nanowires/nanorods was obtained by using microwave heating of an aqueous solution of terbium（Ⅲ） nitrate, europium（Ⅲ） nitrate and NH4H2PO4 with pH=2. The length and width of these nanowires/nanorods ranged from 150 to 300 nm and from 10 to 50 nm, respectively. The evidence of energy transfer from Tb^3＋ to Eu^3＋ due to the energy overlap between the donor Tb^3＋ and the acceptor Eu^3＋was observed obviously via a significant enhancement in the luminescent intensity of Eu^3＋. Keywords：

关键词： microwave technique nanowires/nanorods energy transfer fluorescence spectroscopy rare earths

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Zirconium metal organic framework for design of tetragonal rare earth-doped zirconia nanoparticles

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Journal of Rare Earths 2019年第11期37卷 1230-1236页

作者： Lam Thi Kieu Giang Lukasz Marciniak Krzysztof Kamil Zur Dinh Manh tien Nguyen Vu Nguyen Thanh Binh tran Kim Anh Le Quoc minh Institute of Materials Science Vietnam Academy of Science and Technology18 Hoang Quoc VietCau GiayHanoiViet Nam Graduate University of Science and Technology Vietnam Academy of Science and Technology18 Hoang Quoc VietCau GiayHanoiViet Nam Institute of Low Temperature and Structural Research Polish Academy of Sciencesul.Okolna 250-422 WroclawPoland Faculty of Mechanical Engineering Bialystok University of TechnologyWiejska 45C15-351 BialystokPoland Institute of Applied Physics and Scientific Instrument Vietnam Academy of Science and Technology18 Hoang Quoc VietCau GiayHanoiViet Nam Duy Tan University 03 Quang TrungDa NangViet Nam

Zirconium metal-organic frameworks ZrOBDC(where BDC=C6H4(COOH)2,terephthalic acid)doped and co-doped with rare earth ions Ln(ZrOBDC:Ln^3+,where Ln^3+=Eu3+and Tb^3+as well as Er^3+and Yb^3+)were used as precursors for the design of tetragonal rare earth doped zirconia nanoparticles(t-ZrO2:Ln^3+NPs)through annealing ***,characterization and luminescence properties of ZrOBDC:Ln^3+and ZrO2:Ln^3+NPs were *** as-obtained t-ZrO2:Ln^3+NPs have high purity with an average size of 20-30 *** luminescence spectra of ZrOBDC:Tb^3+and ZrOBDC:Eu3+display strong green and red emission at around 544 and 611 nm which correspond to 5D4→7F5 and 5D0→7F2 transitions of Tb^3+and Eu3+ions,*** green and red up-conversion emissions of ZrO2:Er^3+,Yb^3+NPs due to 2H11/2,4S3/2→4I15/2 and 4F9/2→4I15/2 transitions of the Er^3+ions are observed under 976 nm laser excitation.

关键词： Zirconium Rare earth ZrOBDC ZrOBDC:Ln3+ ZrO2:Ln3+ Up-conversion

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Enhancement of water absorption capacity and compressibility of hydrogel sponges prepared from gelatin/chitosan matrix with different polyols

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Progress in Natural Science:Materials International 2022年第1期32卷 54-62页

作者： Thi Sinh Vo tran Thi Bich Chau Vo Trung tien tran Nhan Duy Pham School of Mechanical Engineering Sungkyunkwan University Department of Industrial Management Can Tho University Department of Chemistry Memorial University of Newfoundland

The hydrogel sponges have prepared successfully from gelatin/chitosan(GEL/CTS) matrix with different polyols basing on scanning electron microscopy(SEM) and Fourier-transform infrared spectroscopy(FTIR) analysis. The results indicate that the compressibility and thermal properties(thermal gravimetric analysis, TGA) were improved significantly with adding the different polyols [poly(vinyl alcohol)-PVA, and poly(ethylene glycol)-poly(propylene glycol)-poly(ethylene glycol) – PEPEG] into GEL/CTS matrix. Specially, the as-prepared hydrogel sponges with superabsorbent behavior were also investigated with the attained water absorption capacity to 605 g gand 585 g gfor GCV＿1/1/0.3 and GCE＿1/1/0.3 sponges, respectively, as well as the excellent water absorption capacity in a wide range of p H and salt concentration. Hence, these studies demonstrated that the hydrogel sponges are concerned as potential and promising candidates to apply especially in the fields of biomedicine and hygiene.

关键词： Hydrogel sponges Absorbent Chitosan Polyols Gelatin Water absorption capacity

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An Analytical Approach for Nonlinear Buckling Analysis of Torsionally Loaded Sandwich Carbon Nanotube Reinforced Cylindrical Shells with Auxetic Core

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Advances in Applied Mathematics and Mechanics 2023年第2期15卷 468-484页

作者： Dang Thuy Dong Nguyen Thi Phuong Vu Hoai Nam Le Ngoc Ly Nguyen Van tien Vu minh Duc tran Quang minh Vu Tho Hung Nguyen Thi Huong Giang Faculty of Civil Engineering University of Transport TechnologyHanoi 100000Vietnam Graduate School of Advanced Science and Engineering Hiroshima University1-4-1 KagamiyamaHigashi-HiroshimaHiroshima 739-8527Japan Faculty of Fundamental Science for Engineering University of Transport TechnologyHanoi 100000Vietnam

The main aim of this paper is to present an analytical approach on the postbuckling for torsionally loaded sandwich carbon nanotube(CNT)reinforced cylindrical shells with the auxetic *** considered shells consist of three layers,external and internal CNT reinforced layers,and the auxetic lattice core made by isotropic *** homogenization model for honeycomb auxetic lattice core is utilized,and the equilibrium equations are formulated based on the nonlinear Donnell’s thin shell theory with von Karman geometrical *** three terms of deflection are considered,the Airy’s stress function and Galerkin’s method are utilized,the explicit expression of critical buckling of torsionally loaded shells and load-deflection expression of postbuckling states are *** effects of two carbon nanotube reinforced layers,the auxetic core layer,the volume fraction of carbon nanotube on the torsional buckling behavior are examined and remarked.

关键词： Nonlinear postbuckling carbon nanotube reinforced composite cylindrical shell torsion auxetic core

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Anti-inflammatory effects of alkaloid enriched extract from roots of Eurycoma longifolia Jack

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Asian Pacific Journal of Tropical Biomedicine 2019年第1期9卷 18-23页

作者： Dao Thi Thanh Hien tran Phi Long tran Phuong Thao Jeong-Hyung Lee Duong Thu trang Nguyen Thi Thu minh Pham Van Cuong Do Thi Ngoc Lan Nguyen Hai Dang Nguyen tien Dat Deparment of Traditional Pharmacy Hanoi University of Pharmacy Department of Biochemistry College of Natural Sciences Kangwon National University Advanced Center for Bio-organic Chemistry Institute of Marine Biochemistry Vietnam Academy of Science and Technology National Institute of Drug Quality Control Center for Research and Technology transfers

Objective: To examine the in vitro and in vivo anti-inflammatory effects of the alkaloid enriched extract(ELA) from the roots of Eurycoma longifolia. Methods: The in vitro antiinflammatory effects of ELA were evaluated by examining its inhibitory activities against nitric oxide(NO) production and inducible nitric oxide synthase(iN OS) and cyclooxygenase2(COX-2) expressions in lipopolysaccharide(LPS)-stimulated RAW264.7 cells. The level of NO produced in the culture media was determined by Griess method. The i NOS and COX-2 protein expressions were analyzed by Western blot. The in vivo effect of ELA was evaluated on LPS-induced septic shock in mice model. Mice mortality was monitored for5 days after injection of LPS. The chemical contents of the ELA were determined by using various chromatographic and spectroscopic techniques. Results: The ELA was found to exhibit a significant anti-inflammatory effect in both in vitro and in vivo models. The results demonstrated that ELA dose-dependently inhibited LPS-induced NO production as well as the protein iN OS and COX-2 expressions. In the septic shock model, ELA dose-dependently protected mice from LPS-induced mortality. Further study on the isolated components of ELA indicated that 9,10-dimethoxycanthin-6-one may contribute significantly to the antiinflammatory effects of the extract. Conclusions: These results suggest that ELA exhibits the anti-inflammatory activity via suppression of pro-inflammatory mediators such as NO, iN OS,and COX-2 and protects mice from LPS-induced mortality in septic shock model.

关键词： Eurycoma longifolia Anti-inflammation Alkaloid 9,10-dimethoxycanthin-6-one

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Controllers Design for the Multi-Shuttle and Multi-Station transportation System

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Open Journal of Applied Sciences 2021年第8期11卷 946-965页

作者： tien Dong Ha minh tien Trinh tran Thanh Cong Vu Tuong Quan Vo Faculty of Mechanical Engineering Ho Chi Minh City University of Technology VNU-HCM Viet Nam

Nowadays, the Multi-Shuttle and Multi-Station transportation System (MMTS) is one of the most interesting research topics in many fields of industries. It is an effective solution to reduce unexpected accidents that occur during transportation as well as increase productivity in manufacturing. The aim of this paper is to introduce the controller design for the MMTS which is built in our BK-Recme BioMech Lab at Ho Chi Minh City University of Technology (VNU-HCM), Viet Nam. Based on the design of this system, the control algorithms will be conducted to check the operation of the whole system. To evaluate the feasibility and effectiveness of this model, we design a series of random instances for different quantities of nodes as well as the different quantities of shuttles. Our system includes 4 stations and 6 shuttles which are assembled in the serial chain system. However, the number of stations and number of shuttles can be expanded to any desired ones which are based on the requirement of the industries. In this paper, we mainly focus on the controller design of this system to make it operate in an effective way that the goods will be transported and delivered to the target station as fast as possible. In order to solve the large-scale instances and realistic transport problems, we propose three algorithms for three progresses as shuttles calling, path reading and shuttles communicating. The shuttles calling is to decide which shuttle should be called to the start-node. Path reading to determine the shortest way to go from start-node to end-node. Finally, shuttles co

关键词： Multi-Station Multi-Shuttle transportation Shuttle Calling RFID Communicating Start-Node End-Node

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Favipiravir and its potentials in COVID-19 pandemic:An update

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Asian Pacific Journal of Tropical Medicine 2021年第10期14卷 433-455页

作者： Dao Ngoc Hien Tam Ahmad T Qarawi Mai Ngoc Luu Morgan Turnage Linh tran Gehad Mohamed Tawfik Le Huu Nhat minh Nguyen tien Huy Tatsuo Iiyama Kyoshi Kita Kenji Hirayama Online Research Club School of Tropical Medicine and Global HealthNagasaki UniversityNagasaki 852-8523Japan Asia Shine Trading&Service CO.LTD. Ho Chi Minh City 700000Vietnam Essen Healthcare BronxNew York 10461 USA Department of Internal Medicine University of Medicine and Pharmacy at Ho Chi Minh CityHo Chi Minh City 700000Vietnam American University of the Caribbean CupecoySint Maarten Institute of Fundamental and Applied Sciences Duy Tan UniversityHo Chi Minh City 700000Vietnam Faculty of Natural Sciences Duy Tan UniversityDa Nang City 550000Vietnam Department of Otorhinolaryngology Faculty of MedicineAin Shams UniversityCairoEgypt Methodist Hospital MerrillvilleIndianaUnited States School of Tropical Medicine and Global Health Nagasaki University1-12-4 SakamotoNagasaki 852-8523Japan Department of International Trials Center of Clinical SciencesNational Center for Global Health and Medicine(NCGM)TokyoJapan

The COVID-19 pandemic has caused millions of deaths and hundreds of millions of confirmed infections *** pandemic has prompted researchers to produce medications or vaccines to reduce or stop the progression and spread of this disease.A variety of previously licensed and marketed medications are being tested for the treatment and recurrence of SARS-CoV2,including favipiravir(Avigan).Favipiravir was recognized as an influenza antiviral drug in Japan in 2014,and has been known to have a potential in vitro activity against SARS-CoV-2,in addition to its broad therapeutic safety *** was recently approved and officially used in many countries *** review provides insights and up-to-date knowledge of the current role of favipiravir in the treatment of COVID-19 infection,focusing on preclinical and ongoing clinical trials,evidence of its efficacy against SARS-CoV-2 in COVID-19,side effects,anti-viral mechanism,and the pharmacokinetic properties of the drug in the treatment of *** to its teratogenic effects,favipiravir cannot be offered to expectant or pregnant *** practical efficacy of such an intervention regimen will depend on its dose,treatment duration,and cost as well as difficulties in application.

关键词： Favipiravir Avigan COVID-19 SARS-CoV-2 Antiviral Review Efficacy

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Flow Visualization of Rhinoceros Beetle （Trypoxylus dichotomus） in Free Flight

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Journal of Bionic Engineering 2012年第3期9卷 304-314页

作者： tien Van Truong Tuyen Quang Le Hieu Trung tran Hoon Cheol Parka Kwang Joon Yoon Doyoung Byun . Department of Aerospace Information Engineering Konkuk University Seoul 143-70 l Republic of Korea 2.Costal Engineering and Ocean Energy Research Department Korea Ocean Research and Development Institute 454 Haeanro Sangrok-gu Ansan 426-744 Republic of Korea Department of Advanced Technology Fusion Konkuk University Seoul 143-701 Republic of Korea Department of Mechanical Engineering Sungkyunkwan University Suwon 440-746 Republic of Korea

Aerodynamic characteristics of the beetle, Trypoxylus dichotomus, which has a pair of elytra （forewings） and flexible hind wings, are investigated. Visualization experiments were conducted for various flight conditions of a beetle, Trypoxylus di- chotomus： free, tethered, hovering, forward and climbing flights. Leading edge, trailing edge and tip vortices on both wings were observed clearly. The leading edge vortex was stable and remained on the top surface of the elytron for a wide interval during the downstroke of free forward flight. Hence, the elytron may have a considerable role in lift force generation of the beetle. In addition, we reveal a suction phenomenon between the gaps of the hind wing and the elytron in upstroke that may improve the positive lift force on the hind wing. We also found the reverse clap-fling mechanism of the T. dichotomus beetle in hovering flight. The hind wings touch together at the beginning of the upstroke. The vortex generation, shedding and interaction give a better understanding of the detailed aerodynamic mechanism of beetle flight.

关键词： beetle smoke wire visualization free flight hovering flight wing interaction elytron effect

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DENSITY ESTIMATES FOR SOLUTIONS OF STOCHASTIC FUNCTIONAL DIFFERENTIAL EQUATIONS

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Acta Mathematica Scientia 2019年第4期39卷 955-970页

作者： Nguyen tien DUNG Ta Cong SON tran Manh CUONG Nguyen Van TAN Trinh Nhu QUYNH Department of Mathematics FPT University Hoa Lac High Tech Park Hanoi Vietnam Department of Mathematics VNU Hanoi University of Science 334 Nguyen Trai Thanh Xuan Hanoi Vietnam Department of Foundation Academy of Cryptography Techniques Hl Chien Thang Thanh Tri Hanoi Vietnam Military Information Technology Institute 17 Hoang Sam Cau Giay Hanoi Vietnam

In this article, we investigate the density of the solution to a class of stochastic functional differential equations by means of Malliavin calculus. Our aim is to provide upper and lower Gaussian estimates for the d... 详细信息

关键词： Stochastic functional differential equations density estimates Malliavin calculus

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