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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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To Enhance the Display Factory’s Flexibility of Material management by Applying TRIZ

International Journal of Systematic Innovation

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International Journal of Systematic Innovation 2021年第3期6卷 53-62页

作者： Huang, Wen-Cheng Shaw, Heiu-Jou Egineering Management Graduate Program College of Engineering National Cheng Kung University Taiwan Department of System and Naval Mechatronic Engineering National Cheng Kung University Taiwan

In order to control the manpower and production flexibility, many factories will choose to manufacture the components itself, few components will be outsourced, and later assembled into a monitor. There are many ways to outsource, including pure outsourcing foundry;complete outsourcing;partial outsourcing. All of these methods have affected the production elasticity and manpower utilization of the display factory. How to find the optimal management method for the key components of the display has become a very important issue. In the case study on the display factory, the purpose is to find out the most suitable and flexible material management. By applying the theory of TRIZ to find out the best flexible self-made or outsourced management of materials. The research can also provide the display factory a reference in the key components of self-made and outsourcing management. At the same time, it will enhance the flexibility of manufacturing and increase the overall efficiency of the display factory. © 2021. All Rights Reserved.

关键词： Display Outsourcing management Production flexibility TRIZ

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Fabrication of translucent graded dental crown using zirconia-yttrium multi-slurry tape casting 3D printer

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Journal of the Mechanical Behavior of Biomedical Materials 2024年 152卷 106406页

作者： Romario, Yulius Shan Bhat, Chinmai Ramezani, Maziar Pasang, Tim Chen, Zhangwei Jiang, Cho-Pei Graduate Institute of Manufacturing Technology National Taipei University of Technology 1 Sec. 3 Zhongxiao E. Rd. Taipei10608 Taiwan High-value Biomaterials Research and Commercialization Center National Taipei University of Technology 1 Sec. 3 Zhongxiao E. Rd. Taipei10608 Taiwan Department of Mechanical Engineering Auckland University of Technology Auckland1010 New Zealand Department of Engineering Design Manufacturing and Management Systems Western Michigan University KalamazooMI4900-5200 United States Additive Manufacturing Institute Shenzhen University Shenzhen518060 China Guangdong Key Laboratory of Electromagnetic Control and Intelligent Robotics College of Mechatronics and Control Engineering Shenzhen University Shenzhen518060 China Department of Mechanical Engineering National Taipei University of Technology 1 Sec. 3 Zhongxiao E. Rd. Taipei10608 Taiwan

This paper aims to fabricate functionally graded dental crown using a multi-slurry tape casting additive manufacturing technology. The different luminescence of the dental crown was obtained with different composition of zirconia and yttria. Zirconia with tunable mechanical properties and translucency are obtained by adding 3, 3.5, 4, 4.5, and 5 mol% of yttrium oxide to zirconia powder. After obtaining the printable slurry with maximum solid loading, the green bodies are prepared using the in-house built high-speed multi-ceramic tape casting technology. They are later sintered with two-stage sintering method. After the successful fabrication, the mechanical properties and translucency of the specimens were evaluated with Vickers hardness, three-point bending and translucency parameter tests. Finally, an FGM tooth crown with five photocurable slurries is proposed to demonstrate the translucent gradient effect of sintered part. The solid loading of 80% zirconia and 20% resin delivered samples without any surface cracks. The shrinkage ratio analysis showed that the sintered sample dimension was reduced by 20%, 20%, and 23% along X, Y, and Z directions. The samples fabricated with 3% yttrium oxide to zirconia delivered excellent hardness (1687 HV) and flexural strength (650.6 MPa). However, the relative luminescence increased with increasing the yttrium oxide for 3–5 mol%. With the optimized process parameters, the proposed dental crown is fabricated and analyzed for their shrinkage ratio, mechanical, and translucency properties. The study proposes the potential of fabricating customized dental crown with gradient translucent appearance. © 2024

关键词： Zirconia

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Optimization of used nuclear fuel shipments

Optimization of used nuclear fuel shipments

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2016 Industrial and systems engineering Research Conference, ISERC 2016

作者： Alaimo, Richard Cole, William Ervin, Justin Tannous, Hanna Wong, Kevin Lim, Churlzu Bader, Sven Department of Systems Engineering and Engineering Management University of North Carolina at Charlotte CharlotteNC28223 United States AREVA CharlotteNC28262 United States

Nuclear energy has been and still is an important source of energy for citizens all around the globe. However, once nuclear energy is deemed to have been used to its maximum potential, it leaves a byproduct known as spent nuclear fuel that must be stored in wet and dry storage to cool off since the material is extremely warm. This process has been going on for decades and it has gotten to the point where there is too much nuclear material in storage in the United States, and it is time to move it all to a central repository facility for final disposal or recycling. In this study, we consider a shipment and transportation plan for 12 nuclear facilities in the United States that have been decommissioned and currently contain spent nuclear fuel in dry storage. This study is involved with data mining from GIS software that measure multiple railroad routes and estimating costs for transporting the spent fuel. Once this data is acquired, we formulate the problem as a mixed integer program that provides an optimal plan, which includes shipment sequencing, resource allocation, and number of resources to purchase, while minimizing the total cost of moving spent fuel. © 2016 Proceedings of the 2016 Industrial and systems engineering Research Conference, ISERC 2016. All rights reserved.

关键词： Digital storage

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Deep learning-enabled triboelectric smart socks for IoT-based gait analysis and VR applications

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npj Flexible Electronics 2020年第1期4卷 243-254页

作者： Zixuan Zhang Tianyiyi He Minglu Zhu Zhongda Sun Qiongfeng Shi Jianxiong Zhu Bowei Dong Mehmet Rasit Yuce Chengkuo Lee Department of Electrical&Computer Engineering National University of Singapore4 Engineering Drive 3Singapore 117576Singapore Centre for Intelligent Sensors and MEMS(CISM) National University of Singapore4 Engineering Drive 3Singapore 117576Singapore Hybrid Integrated Flexible Electronic Systems(HIFES) 5 Engineering Drive 1Singapore 117608Singapore Smart Systems Institute National University of Singapore3 Research LinkSingapore 117602Singapore National University of Singapore Suzhou Research Institute(NUSRI) Suzhou Industrial Park215123 SuzhouChina Department of Electrical and Computer Systems Engineering Monash UniversityMelbourneVIC 3800Australia NUS Graduate School for Integrative Science and Engineering(NGS) National University of SingaporeSingapore 119077Singapore

The era of artificial intelligence and internet of things is rapidly developed by recent advances in wearable *** reveals sensory information in daily life containing personal information,regarding identification and *** wearable electronics of gait analysis are mainly limited by high fabrication cost,operation energy consumption,or inferior analysis methods,which barely involve machine learning or implement nonoptimal models that require massive datasets for ***,we developed low-cost triboelectric intelligent socks for harvesting waste energy from low-frequency body motions to transmit wireless sensory *** sock equipped with self-powered functionality also can be used as wearable sensors to deliver information,regarding the identity,health status,and activity of the *** further address the issue of ineffective analysis methods,an optimized deep learning model with an end-to-end structure on the socks signals for the gait analysis is proposed,which produces a 93.54%identification accuracy of 13 participants and detects five different human activities with 96.67%*** practical application,we map the physical signals collected through the socks in the virtual space to establish a digital human system for sports monitoring,healthcare,identification,and future smart home applications.

关键词： Deep smart IoT

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Assessing alternatives of including social robots in urban transport using fuzzy trigonometric operators based decision-making model

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Technological Forecasting and Social Change 2023年第1期194卷

作者： Deveci, Muhammet Pamucar, Dragan Gokasar, Ilgin Zaidan, Bilal Bahaa Martinez, Luis Pedrycz, Witold Department of Industrial Engineering Turkish Naval Academy National Defence University Istanbul Tuzla34940 Turkey Royal School of Mines Imperial College London LondonSW7 2AZ United Kingdom Department of Operations Research and Statistics Faculty of Organizational Sciences University of Belgrade Belgrade11000 Serbia Department of Civil Engineering Bogazici University Istanbul Bebek34342 Turkey International Graduate School of Artificial Intelligence College of Management National Yunlin University of Science and Technology 123 University Road Section 3 Yunlin Douliu City64002 Taiwan Department of Computer Sciences University of Jaén Jaén23071 Spain Department of Electrical and Computer Engineering Faculty of Engineering University of Alberta 9211 116 Street NW EdmontonABT6G 1H9 Canada Systems Research Institute Polish Academy of Sciences Warsaw00-901 Poland Faculty of Engineering and Natural Sciences Department of Computer Engineering Istinye University Sariyer/Istanbul Turkey College of Engineering Yuan Ze University Taiwan

Current trends point to a not-too-distant future with qualitatively advanced interactions between humans and social robots. It is critical to consider the possibility of forming meaningful social relationships with robots when defining the future of human-robot interactions, as well as studying how these interactions will evolve to the point where humans are unable to distinguish between humans and robots in urban transportation. In this study, the advantages of using social robots in urban transportation are prioritized by using a multi-criteria decision-making tool, which consists of two consecutive stages, namely: i) a novel fuzzy sine trigonometry based on the logarithmic method of additive weights (fuzzy ST-LMAW) that is proposed to calculate the criteria weights;ii) a nonlinear fuzzy Aczel-Alsina function based the weighted aggregate sum product assessment (fuzzy ALWAS-WASPAS) that is developed to select and rank the alternatives. The proposed model enables flexible nonlinear processing of complex and uncertain information encountered in real applications. A case study is developed to rank three alternatives with twelve sub-criteria grouped into four aspects using the proposed method. The results show that the most advantageous alternative is to replace people with social robots as safety drivers in level four autonomous vehicles due to their possible impact on transportation. © 2023 The Authors

关键词： Human robot interaction

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Reversible Solid Oxide Cells: Selection of Fuel Electrode Materials for Improved Performance and Durability

Reversible Solid Oxide Cells: Selection of Fuel Electrode Ma...

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243rd ECS Meeting

作者： Sasaki, K. Natsukoshi, K. Yamada, K. Ikegawa, K. Yasutake, M. Tachikawa, Y. Lyth, S.M. Matsuda, J. Yildiz, B. Tuller, H.L. Department of Hydrogen Energy Systems Faculty of Engineering Kyushu University Motooka 744 Nishi-ku Fukuoka819-0395 Japan Kyushu University Motooka 744 Nishi-ku Fukuoka819-0395 Japan International Research Center for Hydrogen Energy Kyushu University Motooka 744 Nishi-ku Fukuoka819-0395 Japan Kyushu University Motooka 744 Nishi-ku Fukuoka819-0395 Japan Department of Automotive Science Graduate School of Integrated Frontier Sciences Kyushu University Fukuoka Nishi-ku819-0395 Japan Department of Materials Science and Engineering Massachusetts Institute of Technology CambridgeMA02139 United States

ISBN: (纸本)9781607685395

Different fuel electrodes for reversible solid oxide cells (r-SOC) are investigated with the aim of improving performance in both solid oxide electrolysis cell (SOEC) and solid oxide fuel cell (SOFC) modes, and durability in reversible operation mode. Electrodes based on gadolinium-doped ceria (GDC) as a mixed ionic electronic conductor, and lanthanum-doped strontium titanate (LST) as an electronic conductor are selected. The current-voltage characteristics of r-SOC single cells, and their cycling durability up to 1000 cycles are evaluated. LST-GDC co-impregnated with Ni and GDC prove to be highly durable in reversible operation, as a suitable fuel electrode material for r-SOCs. © The Electrochemical Society.

关键词： Durability

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Modelling and Experimental Characteristics of Photovoltaic Modules in Typical Days at an Actual Photovoltaic Power Station 4

Modelling and Experimental Characteristics of Photovoltaic M...

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4th IEEE International Conference on Automation, Electronics and Electrical engineering, AUTEEE 2021

作者： Lodhi, Ehtisham Yang, Pu Wang, Lina Lodhi, Zeeshan Khan, M. Adil Muhammad, Sijjad Tamir, Tariku Sinshaw Beihang University School of Automation Science and Electrical Engineering Beijing100191 China COMSATS University Islamabad Department of Electrical and Computer Engineering Abbottabad Campus 22060 Pakistan Chang'An University Department of Computer and Technology Xi'an710062 China Real Engineering Services Deans Trade Center Peshawar25000 Pakistan Institute of Automation Chinese Academy of Sciences The SKL For Management and Control of Complex Systems Beijing100190 China

ISBN: (纸本)9781665428392

Solar energy among the renewable energy sources (RES) plays an important role in fulfilling any country's energy demands. When the sunlight irradiates the photovoltaic (PV) modules, part of the light energy is directly converted into electric energy. Another part is converted into heat energy, which increases the working temperature and affects the output performance characteristics of the PV module. This paper proposes a dynamic mathematical model of PV modules working on solar irradiance and ambient temperature by calculating the PV module model parameters under different environmental conditions. The dynamic model of the PV module is suggested to simulate PV modules' output characteristics (voltage and current) under any environmental conditions. By employing MATLAB/Simulink, a PV output characteristics program is compiled. The whole day output characteristics of PV strings of a real PV power station are tested and compared with simulation results. The results depict that the established model can effectively reflect PV modules' output characteristics in actual operation and can be used for dynamic simulation of PV power generation. © 2021 IEEE.

关键词： Solar energy

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Deep Learning with Greedy Layer-Wise Compound Scaling for Temperature and Humidity Prediction in Solar Dryer Dome

SSRN

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SSRN 2022年

作者： Cenggoro, Tjeng Wawan Elwirehardja, Gregorius Natanael Dominic, Nicholas Setiawan, Karli Eka Rahutomo, Reza Djuana, Endang Gunawan, Fergyanto E. Budiman, Arief S. Romeli, Sugiarto Pardamean, Bens Computer Science Department School of Computer Science Bina Nusantara University Jakarta11480 Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta11480 Indonesia Computer Science Department BINUS Graduate Program Master of Computer Science Program Bina Nusantara University Jakarta11480 Indonesia Information Systems Department School of Information Systems Bina Nusantara University Jakarta11480 Indonesia Electrical Engineering Department Faculty of Industrial Technology Universitas Trisakti Jakarta11440 Indonesia Industrial Engineering Department BINUS Graduate Program Master of Industrial Engineering Bina Nusantara University Jakarta11480 Indonesia Department of Manufacturing and Mechanical Engineering and Technology Oregon Institute of Technology Klamath FallsOR97601 United States PT. Impack Pratama Industri Jakarta Indonesia

Drying has been an eco-friendly and cost-efficient method to reduce post-harvest losses of agricultural crops. In various countries, the technique has been widely utilized in the form of Solar Dryer Dome (SDD) buildings. Accurate indoor microclimate forecasting is very important to implement smart control systems in SDDs that can maintain the ideal conditions, as the availability of solar energy is limited only at daytimes and the temperature may drop significantly during nighttimes in remote areas. The microclimate variables that play an important role in maintaining ideal environmental conditions include temperature and relative humidity. © 2022, The Authors. All rights reserved.

关键词： Forecasting

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Photodegradation of Profenofos in Aqueous Solution by Vacuum Ultraviolet

SSRN

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SSRN 2022年

作者： Ratpukdi, Thunyalux Siripattanakul-Ratpukdi, Sumana Thongprowh, Prapaipim Soontharo, Somphong Jenjaiwit, Supitchaya Prasertwongchai, Anuchit Anotai, Jin Nongsung, Pawonkorn Khan, Eakalak Department of Environmental Engineering Faculty of Engineering Research Center for Environmental and Hazardous Substance Management Khon Kaen University Khon Kaen40002 Thailand Department of Environmental Engineering Faculty of Engineering King Mongkut’s University of Technology Thonburi Bangkok10140 Thailand Bangkok10330 Thailand International Postgraduate Program in Environmental Management Graduate School Chulalongkorn University Bangkok10330 Thailand Department of Civil and Environmental Engineering and Construction University of Nevada Las VegasNV89154 United States

Profenofos is a widely used organophophorous pesticide for several crops and is detected in drinking water sources. This study investigated the degradation of profenofos using vacuum ultraviolet (VUV) compared with ultraviolet (UV). The factors affecting the degradation performance including pH, profenofos concentration, bicarbonate, nitrate, nitrite, natural organic matter (NOM), and aeration were examined. Profenofos removal efficiencies were 84% and 52% by VUV and UV after 7 min of irradiation, respectively (Initial profenofos concentration of 2 mg/L). Degradation of profenofos by VUV were 3 times faster than UV. The degradation rates decreased with increasing initial profenofos concentration. Direct photolysis at 185 nm and OH • played major roles for profenofos removal by VUV. Aeration enhanced the profenofos degradation and mineralization by VUV but not UV. Bicarbonate inhibited the profenofos degradation while nitrate (≤50 mg-NO 3 - /L) acted as a photosensitizer enhancing profenofos degradation. NOM from groundwater and surface water sources also inhibited the profenofos removal by VUV as high as 39% compared to deionized water. However, NOM promoted the profenofos removal by UV because degradation by OH • formed via NOM photolysis became the main degradation mechanism. The result of profenofos degradation under isolated NOM fractions elucidated that hydrophobic fractions had less inhibition compared to hydrophilic fractions. Identified products suggested the pathway of profenofos photodegradation were the breaking of the O-P bond and reduction of Br. © 2022, The Authors. All rights reserved.

关键词： Irradiation

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