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APPLICATION OF DFT AND MACHINE LEARNING TO PREDICT OPTIMUM OPERATING CONDITIONS FOR METHANE PYROLYSIS USING MOLTEN METALS FOR CARBON-FREE HYDROGEN PRODUCTION 23

APPLICATION OF DFT AND MACHINE LEARNING TO PREDICT OPTIMUM O...

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23rd World Hydrogen Energy Conference: Bridging Continents by H2, WHEC 2022

作者： Ugwu, Lord Ibrahim, Hussameldin Morgan, Yasser Process Systems Engineering Faculty of Engineering and Applied Science University of Regina 3737 Wascana Parkway ReginaSKS4S 0A2 Canada Software Systems Engineering Faculty of Engineering and Applied Science University of Regina 3737 Wascana Parkway ReginaSKS4S 0A2 Canada

ISBN: (纸本)9786250008430

The production of hydrogen from various feedstock involves the catalyzation of various reactions for the generation of the desired product. Experimental studies provide an understanding of the reaction mechanism and the nature of the reactants and products of the reaction. Computational studies involving DFT provide even greater insights into these reactions. The pyrolysis of methane over various catalysts requires an efficient means of screening catalysts for the reaction. The reaction is an endothermic reaction that is associated with a high demand for energy to drive the reaction. A process associated with a reduced demand for energy and increased yield of hydrogen will make the pyrolysis reaction more efficient and more industrially applicable. A combination of DFT and ML provides a means of establishing catalytic descriptor-based predictions for the reaction. The prediction of the relaxation energies of doped group 10, 11 and 12 transition elements from their initial structures with the adsorbate ions at the different stages of the reactions provides a predictable path for the calculation of the Turnover Frequency of the reactions, suggesting the preferred catalyst for the reaction. This study seeks to establish a model for predicting catalytic activity in methane pyrolysis reactions at various operational conditions. © 2022 Proceedings of WHEC 2022 - 23rd World Hydrogen Energy Conference: Bridging Continents by H2. All rights reserved.

关键词： Density functional theory

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A Flame Localization Method Combing Visible-Light and Near-Infrared Cameras 6

A Flame Localization Method Combing Visible-Light and Near-I...

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6th International Conference on Intelligent Autonomous systems, ICoIAS 2023

作者： Liu, Yuanhao Gong, Zhifan Zhu, Denghu Deng, Qiao Hu, Songyu Fu, Jianzhong Polytechnic Institute Zhejiang University Hangzhou China Company Haining China College of Mechanical Engineering Zhejiang University The State Key Laboratory of Fluid Power and Mechatronic Systems Hangzhou China College of Mechanical Engineering Zhejiang University Key Laboratory of 3D Printing Process and Equipment of Zhejiang Province Hangzhou China

ISBN: (纸本)9798350371253

As common natural disasters, fire incidents seriously threaten human life and property. Flame target localization is a key step to enabling timely detection and effective control of the fire incident. In this study, a novel approach that combines visible-light and near-infrared cameras in a heterogeneous binocular camera system is proposed. High-precision localization of early small-scale fire targets is achieved through calibration of the heterogeneous binocular camera, stereo rectification, heterogeneous disparity matching, and depth computation. Experimental tests were conducted within a range of 1-5 meters, validating the effectiveness of the proposed algorithm. © 2023 IEEE.

关键词： Fires

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Feasibility Study on Real Time Electrostatic Charge Monitoring in Wafer Form process with Potential Triboelectrification Motion at Dicing Saw 40

Feasibility Study on Real Time Electrostatic Charge Monitori...

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40th IEEE International Electronics Manufacturing Technology, IEMT 2024

作者： Lim, Jian Liang Wong, Qiu Yin Bin Mokhtar, Mohamad Syafiq Ramireddy, Jayanth Reddy Wong, Mun Seng Ng, Chong How Lee, Kim Chuan Moon, Bh Micron Technology Inc. Muar Malaysia Micron Technology Inc. Muar Malaysia Micron Technology Inc. Process Control Systems Hyderabad India Micron Technology Inc. Muar Malaysia Micron Technology Inc. Muar Malaysia Micron Technology Inc. Muar Malaysia Micron Technology Inc. Taichung City Taiwan

ISBN: (纸本)9798350388824

In dicing saw process, electrostatic charge is generated mostly at the spinner section due to frictional electrification owing to cleaning with deionized water, drying with dry air and separation electrification during workpiece separated from spinner table. The change phenomena of electrostatic charges held on workpiece throughout the triboelectrification motion is crucial yet without any inline monitor triggering system. Thus dicing saw machine spinner section was selected as primary feasibility study for real time electrostatic charge monitoring with the help of fault detection and classification (FDC). By communicating the electrostatic sensors with host system and FDC, several FDC window modelling able to setup for live data monitoring. Electrostatic charge trend study was conducted with different ionizer air flowrates and deionized water resistivity to validate the effectiveness of the inline monitoring system. With appropriate FDC triggering limit, this inline monitoring system is capable to detect any degraded or faulty ionizer, abnormal workpiece electrostatic charge, wrong ionizer settings and abnormal water resistivity while providing signal and data trend for electrostatic charges behavior. With this shift left approach and mechanism, electrostatic discharge (ESD) event can be detected early to minimize and reduce the losses and cost of scrap. © 2024 IEEE.

关键词： Deionized water

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Explorative Application of Discrete Bayesian Networks as Surrogate Models for Energy systems Analysis

SSRN

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SSRN 2024年

作者： Kelk, Rainer Podofillini, Luca Dang, Vinh N. Panos, Evangelos Centers for Nuclear Engineering and Science and for Energy and Environmental Sciences Laboratory for Energy Systems Analysis Paul Scherrer Institute PSI Villigen Switzerland Chair of Energy Systems Analysis Institute of Energy and Process Engineering ETH Zurich Zurich8092 Switzerland Energy Economics Group

This work investigates the application of data-based discrete Bayesian Belief Networks (BBNs) as surrogate energy system models for result analysis and interactive analyses, such as what-if analyses. A method to optimize the BBN model is devised, based on performance metrics related to the accuracy of the BBN predictions, relative to the energy systems model, a simplified version of the Swiss TIMES (STEM) model, referred to as STEM-lite. The validation of the BBN model on a set of predetermined scenarios yielded an average relative error below 2%, suggesting that BBNs can perform adequately as energy system model surrogates. In a final step, the application of the surrogate BBN model is demonstrated to highlight its benefits, which include enabling interactive analysis (supported by the visualization of key variables, their relationships and interactions), fast and intuitive uncertainty propagation, and support for goal-driven analysis (backward reasoning from outcomes to the inputs that produce these outcomes). The surrogate BBN presented here was developed to elaborate the methods for constructing, validating, and using BBN models for energy systems analysis and to demonstrate the benefits of such a model;at this stage, this model is not intended for energy systems and economics policy discussions. For practical applications, future work is needed to reduce the number of data records to construct the surrogate BBN, to reintroduce the option to treat the time dependence of the input variables, and to allow for larger BBN models (involving more variables) that reflect the increasing complexity of energy systems. © 2024, The Authors. All rights reserved.

关键词： Hierarchical systems

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Selective laser melted high Ni content TiNi alloy with superior superelasticity and hardwearing

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Journal of Materials Science & Technology 2022年第21期116卷 246-257页

作者： Hui Shen Qingquan Zhang Ying Yang Yang Ren Yanbao Guo Yafeng Yang Zhonghan Li Zhiwei Xiong Xiangguang Kong Zhihui Zhang Fangmin Guo Lishan Cui Shijie Hao State Key Laboratory of Heavy Oil Processing China University of PetroleumBeijing 102249China The Key Laboratory of Bionic Engineering(Ministry of Education)and the College of Biological and Agricultural Engineering Jilin UniversityChangchun 130025China Department of Physics City University of Hong KongKowloonHong KongChina College of Mechanical and Transportation Engineering China University of PetroleumBeijing 102249China State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China

TiNi alloys with high content Ni(52-55 at.%)are perfectly suitable for preparing wear-and corrosionresistant parts that service on the space station,spacecraft,and submarine,because of their superior superelasticity,high strength,and ***,the fabrication of complicated Ni-rich TiNi parts by the traditional machining method often faces problems of poor precision,low efficiency,and high *** this work,we succeed in preparing an excellent Ti_(47)Ni_(53) alloy by selective laser melting(SLM),and thus,open a new way for the efficient and precise formation of complicated Ni-rich TiNi parts with superelasticity and *** optimized processing window for compact parts without defects is *** elaborately fabricated Ti_(47)Ni_(53) alloy exhibited a breaking strain of 11%,a breaking stress of 2.0 GPa,a superelastic strain of 9%,and a better hardwearing than that of casting and quenched Ti_(47)Ni_(53) ***,the microstructure,phase transformation,and deformation,as well as their influence mechanisms are investigated by in situ transmission electron microscope(TEM)and high-energy X-ray diffraction(HE-XRD).The results obtained are of significance for both fundamental research and technological applications of SLM-fabricated high Ni content TiNi alloys.

关键词： Selective laser melting High Ni content TiNi Superelasticity Wear In situ high-energy X-ray diffraction Microstructure

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Ionic liquids/deep eutectic solvents for CO_(2) capture:Reviewing and evaluating

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Green Energy & Environment 2021年第3期6卷 314-328页

作者： Yanrong Liu Zhengxing Dai Zhibo Zhang Shaojuan Zeng Fangfang Li Xiangping Zhang Yi Nie Lei Zhang Suojiang Zhang Xiaoyan Ji Energy Engineering Division of Energy ScienceLuleåUniversity of TechnologyLuleåSweden Swerim AB Box 812SE-97125LuleåSweden State Key Laboratory of Material-Oriented Chemical Engineering Nanjing Tech UniversityNanjingChina CAS Key Laboratory of Green Process and Engineering Beijing Key Laboratory of Ionic Liquids Clean ProcessState Key Laboratory of Multiphase Complex SystemsInstitute of Process EngineeringChinese Academy of SciencesBeijingChina Zhengzhou Institute of Emerging Industrial Technology ZhengzhouChina College of Materials Science and Engineering Fujian University of TechnologyFuzhouFujian350118China School of Chemical Engineering University of Chinese Academy of SciencesBeijingChina

The CO_(2)solubilities(including CO_(2)Henry’s constant)in physical-and chemical-based ILs/DESs and the COSMO-RS models describing these properties were comprehensively collected and *** summarized results indicate that chemical-based ILs/DESs are superior to physical-based ILs/DESs for CO_(2)capture,especially those ILs have functionalized cation and anion,and superbase DESs;some of the superbase DESs have higher CO_(2)solubilities than those of ILs;the best physical-and chemical-based ILs,as well as physical-and chemicalbased DESs are[BMIM][BF4](4.20 mol kg^(-1)),[DETAH][Im](11.91 mol kg^(-1)),[L-Arg]-Gly 1:6(4.92 mol kg^(-1))and TBD-EG 1:4(12.90 mol kg^(-1)),*** the original COSMO-RS mainly providing qualitative predictions,six corrected COSMO-RS models have been proposed to improve the prediction performance based on the experimental data,but only one model is with universal *** newly determined experimental results were further used to verify the perditions of original and corrected COSMO-RS *** comparison indicates that the original COSMO-RS qualitatively predicts CO_(2)solubility for some but not all ILs/DESs,while the quantitative prediction is incapable at *** original COSMO-RS is capable to predict CO_(2)Henry’s constant qualitatively for both physical-based ILs and DESs,and quantitative prediction is only available for *** the corrected COSMO-RS models,only the model with universal parameters provides quantitative predictions for CO_(2)solubility in physical-based DESs,while other corrected models always show large deviations(>83%)compared with the experimental CO_(2)Henry’s constants.

关键词： Ionic liquid Deep eutectic solvent CO_(2)solubility Henry’s constant COSMO-RS

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Multi-level Optimal control with Neural Surrogate Models

arXiv

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arXiv 2024年

作者： Kalise, Dante Loayza-Romero, Estefania Morris, Kirsten A. Zhong, Zhengang Department of Mathematics Imperial College London United Kingdom Department of Applied Mathematics University of Waterloo Canada Centre for Process Systems Engineering Imperial College London United Kingdom

Optimal actuator and control design is studied as a multi-level optimisation problem, where the actuator design is evaluated based on the performance of the associated optimal closed loop. The evaluation of the optimal closed loop for a given actuator realisation is a computationally demanding task, for which the use of a neural network surrogate is proposed. The use of neural network surrogates to replace the lower level of the optimisation hierarchy enables the use of fast gradient-based and gradient-free consensus-based optimisation methods to determine the optimal actuator design. The effectiveness of the proposed surrogate models and optimisation methods is assessed in a test related to optimal actuator location for heat control. © 2024, CC BY.

关键词： Closed loop control systems

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Programmable control of Ultrasound Swarmbots through Reinforcement Learning

arXiv

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arXiv 2022年

作者： Schrage, Matthijs Medany, Mahmoud Ahmed, Daniel Acoustic Robotics Systems Lab Institute of Robotics and Intelligent Systems Department of Mechanical and Process Engineering ETH Zurich8092 Switzerland

Powered by acoustics, existing therapeutic and diagnostic procedures will become less invasive and new methods will become available that have never been available before. Acoustically driven microrobot navigation based on microbubbles is a promising approach for targeted drug delivery. Previous studies have used acoustic techniques to manipulate microbubbles in vitro and in vivo for the delivery of drugs using minimally invasive procedures. Even though many advanced capabilities and sophisticated control have been achieved for acoustically powered microrobots, there remain many challenges that remain to be solved. In order to develop the next generation of intelligent micro/nanorobots, it is highly desirable to conduct accurate identification of the micro-nanorobots and to control their dynamic motion autonomously. Here we use reinforcement learning control strategies to learn the microrobot dynamics and manipulate them through acoustic forces. The result demonstrated for the first time autonomous acoustic navigation of microbubbles in a microfluidic environment. Taking advantage of the benefit of the second radiation force, microbubbles swarm to form a large swarm, which is then driven along the desired trajectory. More than 100 thousand images were used for the training to study the unexpected dynamics of microbubbles. As a result of this work, the microrobots are validated to be controlled, illustrating a good level of robustness and providing computational intelligence to the microrobots, which enables them to navigate independently in an unstructured environment without requiring outside assistance. © 2022, CC BY.

关键词： Ultrasonics

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Multi-Material magnetic field-assisted additive manufacturing system for flexible actuators with programmable magnetic arrangements

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Frontiers of Mechanical engineering 2024年第2期19卷 109-120页

作者： Yujie HUANG Haonan SUN Chengqian ZHANG Ruoxiang GAO Hongyao SHEN Peng ZHAO The State Key Laboratory of Fluid Power and Mechatronic Systems College of Mechanical EngineeringZhejiang UniversityHangzhou 310027China The Key Laboratory of 3D Printing Process and Equipment of Zhejiang Province College of Mechanical EngineeringZhejiang UniversityHangzhou 310027China Center for X-Mechanics Department of Engineering MechanicsZhejiang UniversityHangzhou 310027China

Manufacturing flexible magnetic-driven actuators with complex structures and magnetic arrangements to achieve diverse functionalities is becoming a popular *** various manufacturing technologies,magnetic-assisted digital light processing(DLP)stands out because it enables precise manufacturing of macro-scale structures and micro-scale distributions with the assistance of an external magnetic *** research on manufacturing magnetic flexible actuators mostly employs single materials,which limits the magnetic driving performance to some *** on these characterizations,we propose a multi-material magnetic field-assisted DLP technology to produce flexible actuators with an accuracy of 200μ*** flexible actuators are printed using two materials with different mechanical and magnetic *** the interface connectivity of multi-material printing,the effect of interfaces on mechanical properties is also *** results indicate good chemical affinity between the two materials we *** overlap or connection length of the interface moderately improves the tensile strength of multi-material *** addition,we investigate the influence of the volume fraction of the magnetic part on *** and experimental results indicate that increasing the volume ratio(20%to 50%)of the magnetic structure can enhance the responsiveness of the actuator(more than 50%).Finally,we successfully manufacture two multi-material flexible actuators with specific magnetic arrangements:a multi-legged crawling robot and a flexible gripper capable of crawling and grasping *** results confirm that this method will pave the way for further research on the precise fabrication of magnetic flexible actuators with diverse functionalities.

关键词： multi-material magnetic field-assisted manufacturing digital light processing flexible actuators magnetic arrangement

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Bidirectional Charging (Vehicle-to-Home) in Home Energy Management systems: Exploring Potentials with a Simulation Tool

SSRN

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SSRN 2023年

作者： Rehm, Tobias Wolfgang Schneiders, Thorsten Scholzen, Frank Faculty of Process Engineering Energy and Mechanical Systems University of Applied Sciences Cologne Germany Department of Engineering Faculty of Science Technology and Medicine University of Luxembourg Luxembourg

The home will become the most important link between heat, electricity and mobility. For instance, the concept of Vehicle-to-Home (V2H) allows to use the average long parking times of electric vehicles for energy management applications in the household. In this study, we focus on developing a simulation model in the Home Energy Management System (HEMS) to explore the impact of bi-directional charging on household energy supply. Different scenarios of bi-directional charging could be simulated. For example, the degree of self-sufficiency of bi-directional systems could be increased by more than 10% compared to unidirectional *** results of the simulations show that bi-directional charging has the potential to increase the home self-sufficiency of photovoltaics energy and indirectly to reduce the load from the energy grid. It is important to say that the potential strongly depends on individual user behaviour, the possible charging technology and the presence of the vehicle on site. © 2023, The Authors. All rights reserved.

关键词： Electric loads

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