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Molecular Structural and Properties of 3-chloro-4 (dichloromethyl)-5-hydroxy-2[5H]-furanone (MX)

Journal of Harbin Institute of Technology(New Series) 2004年第2期11卷 129-132页

作者：李欣龙运前齐晶瑶王郁萍 Dept. of Applied Chemistry Harbin Institute of Technology Harbin 150090 China College of Architecture and Civil Engineering Beijing University of Technology Beijing 100022 China -furanone (MX) formed during chlorination of water containing natural organic substances is a very potent bacterial mutgen. Molecular mechanics calculations to evaluate the conformation of structure and to determine structure relationship properties are put forward. The investigations allow the correlation of molecular structures of MX with its properties such as mass partial charges steric energy frontier molecular orbital. The VRML molecular models have been investigated using Virtual Reality software. The spectral simulation of MX is illustrated. The principal aim is to develop an efficient method which control of MX.

3 - chloro - 4 (dichloromethyl) - 5 - hydroxy - 2 [5H] - furanone (MX) formed during chlorination of water containing natural organic substances, is a very potent bacterial mutgen. Molecular mechanics calculations to evaluate the conformation of structure, and to determine structure relationship properties are put forward. The investigations allow the correlation of molecular structures of MX with its properties, such as mass,partial charges, steric energy, frontier molecular orbital. The VRML molecular models have been investigated using Virtual Reality software. The spectral simulation of MX is illustrated. The principal aim is to develop an efficient method which control of MX.

关键词： MX molecular mechanics simulation spectral simulation

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A Refined Modal Decomposition Method for Cavitation Flow Fields Based on State Recognition

SSRN

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SSRN 2023年

作者： Wang, Zihao Han, Hanqiao Zhao, Wei Zhang, Guiyong Jiang, Yichen State Key Laboratory of Structural Analysis Optimization and CAE Software for Industrial Equipment School of Naval Architecture Engineering Dalian University of Technology Dalian116024 China Wuhan Second Ship Design and Research Institute Wuhan430000 China Collaborative Innovation Center for Advanced Ship and Deep-Sea Exploration Shanghai200240 China

Modal decomposition is a popular data-driven method used to extract energy and dynamically important features of fluid flow, widely used in the field of fluid mechanics. However, traditional modal decomposition methods fail to capture physically interpretable multi-time-scale flow characteristics for complex flow phenomena such as cavitation with multiple states. To address this issue, this paper combines the Proper Orthogonal Decomposition (POD) and Hidden Markov Models (HMM) methods and proposes a new approach called state-based POD, applied to three-dimensional cavitation flow. The method consists of three steps: utilizing POD to extract cavitation flow field features and visualize them as spatiotemporal trajectories, employing HMM to probabilistically model the trajectories and obtain flow field states and probability models representing multi-time-scale flow information, and applying POD to perform modal decomposition on the multi-time-scale flow field information. This method provides a more detailed characterization of the physical phenomena and offers a novel avenue for analyzing cavitation flow. © 2023, The Authors. All rights reserved.

关键词： Cavitation

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A queueing network based system to model capacity and cycle time for semiconductor fabrication 08

A queueing network based system to model capacity and cycle ...

引用

Simulation Winter Conference

作者： Horst Zisgen Ingo Meents Benjamin R. Wheeler Thomas Hanschke Industrial Software Solutions IBM Systems and Technology Group Mainz Germany Architecture and Development of Open Systems 2 IBM Systems and Technology Group Mainz Germany IBM Microelectronic Division 300mm Industrial Engineering Hopewell Junction NY USA Institute of Mathematics Clausthal University of Technology Clausthal-Zellerfeld Germany

ISBN: (纸本)9781424427086

In today's competitive semiconductor business environment, wafer manufacturers are facing continuous pressure to accurately predict cycle time and tool utilization, gauge the impact of changes in capacity available, assess the impact of changes in product mix and quantity, and determine action plans to improve operational performance. Discrete event simulation (DES) is a widely used approach to perform such an analysis. However, DES has some inherent shortcomings for these planning tasks. Analytical models, like queueing networks, have much shorter response times and additional advantages compared to DES. But due to the complexity of semiconductor manufacturing systems (SMS) queueing models were not able to model all the peculiarities of those. This paper provides an overview of the main features of the IBM Enterprise Production planning and Optimization System (EPOS), a queueing network based system, which closes this gap. EPOS has been in use in the 300 mm fabrication of IBM in Fishkill for more than 2 years and has turned out to be an invaluable tool to analyze the trade-offs of cycle time and capacity within this complex environment.

关键词： Fabrication Semiconductor device modeling Semiconductor device manufacture Capacity planning Discrete event simulation Performance analysis Analytical models Queueing analysis Delay Manufacturing systems

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Systems Thinking- and Data-Driven Urban Decarbonisation Framework for Individual, Community and Urban Scale Climate Action

SSRN

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SSRN 2024年

作者： Purcell, Lily Mac Mahon, Joanne Daly, Donal De Doncker, Ingrid Nyhan, Marguerite M. School of Engineering & Architecture University College Cork Ireland Environmental Research Institute University College Cork Lee Rd Sunday’s Well CorkT23 XE10 Ireland 6Rockets Software Limited Model Farm Road CorkT12A4PX Ireland

There is an urgent need to rapidly reduce greenhouse gas (GHG) emissions and, although human activity is a primary driver of emissions, a knowledge gap remains in terms of the key individual and collective drivers of emissions and on how to harmonize citizen-led climate action with top-down emissions mitigation policy. In response to this, a systems thinking-informed framework was developed to inform bottom-up and top-down urban decarbonization efforts. Another aim was to demonstrate the integration of a data-driven and activity-based GHG emissions model for individuals, within the framework to enable decarbonisation. This model was populated using individual activity and lifestyle data which were collected for 172 people using a smartphone application. The resulting emissions drivers were identified as well as their interaction with the overarching urban decarbonisation framework. The research will have important implications in terms of informing emissions mitigation efforts at individual, community and urban scales. By applying the framework, individual data and GHG emissions modelled for urban populations can inform citizen and population-level actions and high-level emissions mitigation policy for accelerating the sustainability transition that our societies and cities must urgently undergo. © 2024, The Authors. All rights reserved.

关键词： Systems thinking

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Model-Based Personalized Visualization System for Monitoring Evolving Industrial Cyber-Physical System

Model-Based Personalized Visualization System for Monitoring...

引用

Asia-Pacific Conference on software engineering

作者： Aitziber Iglesias Tao Yue Cristobal Arellano Shaukat Ali Goiuria Sagardui Information and Communication Technologies Area IK4-Ikerlan Research Center Arrasate Spain Department of Engineering Complex Software Systems Simula Research Laboratory Oslo Norway Information Systems Architecture Science Research Division National Institute of Informatics Tokyo Japan Information Systems HAZI-ISI Mondragon Unibertsitatea Arrasate Spain

ISBN: (纸本)9781728119717;9781728119700

Monitoring Industrial Cyber-Physical Systems (ICPSs) is increasingly becoming essential, which requires the development of new approaches to capture data from an ICPS for visualization, automated analyses, decision making, and anomaly detection. Towards this end, first, we present requirements for enabling personalized data visualization for monitoring evolving ICPS during its operation. Such requirements were identified from our experience of designing and developing an industrial Automated Warehouse (AW). Second, the identified requirements were validated with a questionnaire-based survey by soliciting views of industry experts from the software Monitoring Systems and Data Visualizations domains. Based on the analysis of the survey results, the need of developing personalized ICPS monitoring systems was confirmed as a step forward to enable the efficient detection of anomalies, improvement in productivity, and providing a better overview of the monitored ICPSs. Third, we developed a model-based visualization system (named as PAVS) for monitoring ICPSs, which conforms to the identified requirements, and was validated it with a dataset collected from a real AW developed by our industrial partner: ULMA Handling System, Spain. In the end, we also provide a set of lessons learned when PAVS was transferred to ULMA.

关键词： Data visualization Monitoring Germanium Runtime Industries software Cyber-physical systems

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Message from the SAIP, NEMI, ECRF, Journal First, and Workshops Track Chairs

Proceedings - 2021 IEEE 18th International Conference on Sof...

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Proceedings - 2021 IEEE 18th International Conference on software architecture Companion, ICSA-C 2021 2021年 x-xi页

作者： Becker, Steffen Camara, Javier Challita, Stephanie Fehling, Christoph Jansen, Anton Kopp, Oliver Koziolek, Heiko Kruchten, Philippe Lewis, Grace A. Lilienthal, Carola Spalazzese, Romina Trubiani, Catia University of Stuttgart Software Quality and Architecture Stuttgart Germany University of York York United Kingdom University of Rennes 1 Rennes France Mercedes-Benz AG Sindelfingen Germany Philips Innovation Services Philips Eindhoven Netherlands ABB Research Ladenburg Germany University of British Columbia Electrical and Computer Engineering Canada Software Engineering Institute Carnegie Mellon University PittsburghPA United States WPS-Workplace Solutions GmbH Hamburg Germany Malmö University Dept. of Computer Science and Media Technology Malmö Sweden Gran Sasso Science Institute L'Aquila Italy

ISBN: (纸本)9781665439107

The 18th IEEE International Conference on software architecture (ICSA 2021) solicited different types of submissions structured into the following tracks: The main Technical Track (included in the ICSA main proceedings), the software architecture in Practice (SAIP) track, the New and Emerging Ideas (NEMI) track, the Early Career Researchers Forum (ECRF), the Journal First track, and the Workshop track (included in the companion volume of ICSA 2021 proceedings). Each of these tracks, except for the Technical Track, is presented in the following sections. © 2021 IEEE.

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Regularized Weyl double copy

arXiv

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arXiv 2023年

作者： Alkac, Gokhan Gumuş, Mehmet Kemal Kaşikci, Oǧuzhan Olpak, Mehmet Ali Tek, Mustafa Department of Software Engineering Faculty of Engineering and Architecture Ankara Science University Ankara06200 Turkey Department of Physics Faculty of Science and Letters Middle East Technical University Çankaya Ankara06800 Turkey Department of Physics Engineering Faculty of Science and Letters Istanbul Technical University Maslak Istanbul34469 Turkey Department of Electrical and Electronics Engineering Faculty of Engineering University of Turkish Aeronautical Association Ankara06790 Turkey Department of Physics Engineering Faculty of Engineering and Natural Sciences Istanbul Medeniyet University Istanbul34000 Turkey

We propose a regularization procedure in the sourced Weyl double copy, a spinorial version of the classical double copy, such that it matches much more general results in the Kerr-Schild version. In the regularized Weyl double copy, the anti-de Sitter (AdS) and the Lifshitz black holes, which form the basis of the study of strongly coupled gauge theories at finite temperature through the AdS/CFT correspondence and its nonrelativistic generalization, become treatable. We believe that this might pave the way for finding out a relation between the classical double copy and holography. © 2023, CC BY.

关键词： Black holes

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Scaling symmetry, Smarr relation, and the extended first law in lower-dimensional Lovelock gravity

arXiv

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arXiv 2023年

作者： Alkaç, Gökhan Özen, Gökçen Deniz Özşahin, Hikmet Süer, Gün Tek, Mustafa Department of Software Engineering Faculty of Engineering and Architecture Ankara Science University Ankara06200 Turkey Department of Physics Faculty of Science and Letters stanbul Technical University Maslak Istanbul34469 Turkey Department of Physics Faculty of Arts and Sciences Sinop University Sinop57000 Turkey Department of Physics Faculty of Arts and Sciences Middle East Technical University Ankara06800 Turkey Department of Physics Engineering Faculty of Engineering and Natural Sciences Istanbul Medeniyet University Istanbul34000 Turkey

Recently, it was discovered that lower-dimensional versions of Lovelock gravity exist as scalar-tensor theories that are examples of Horndeski gravity. We study the thermodynamics of the static black hole solutions in these theories up to cubic order through Euclidean methods. Considering solutions with spherical, planar and hyperbolic event horizons (k = +1, 0, −1), we show that the universality of the thermodynamics for planar black holes (k = 0) and the extended first law that include the variation of the couplings together with their associated potentials hold also in lower dimensions. We find that in D = 4, 6 where the 2nd- and the 3rd-order Lovelock Lagrangians are boundary terms respectively, the Smarr relation is modified since the entropy is not a homogenous function in these dimensions. We also present a derivation of the Smarr relation and its modified version based on the global scaling properties of the reduced action that is used to obtain the solutions consistently. Unlike the other hairy black hole solutions that have been analyzed before, despite the terms in the reduced action that break the scaling symmetry, the derivation still follows from a conserved Noether charge. © 2023, CC BY.

关键词： Gravitation

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RETRACTED ARTICLE: Evaluating groundwater level fluctuation by support vector regression and neuro-fuzzy methods: a comparative study

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Natural Hazards 2015年第3期102卷 1611-1612页

作者： Mirzavand, Mohammad Khoshnevisan, Benyamin Shamshirband, Shahaboddin Kisi, Ozgur Ahmad, Rodina Akib, Shatirah Department of Watershed Management Faculty of Natural Resources and Earth Sciences University of Kashan Kashan Iran Department of Agricultural Machinery Engineering Faculty of Agricultural Engineering and Technology University of Tehran Karaj Iran Department of Computer Systems and Information Technology Faculty of Computer Science and Information Technology University of Malaya (UM) Kuala Lumpur Malaysia Department of Civil Engineering Faculty of Architecture and Engineering Canik Basari University Samsun Turkey Department of Software Engineering Faculty of Computer Science and Information Technology University of Malaya (UM) Kuala Lumpur Malaysia Department of Civil Engineering Faculty of Engineering University of Malaya (UM) Kuala Lumpur Malaysia

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Numerical Study of Water Entry of Vehicle Under Near Free Surface Caused by Underwater Explosion

SSRN

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SSRN 2023年

作者： Zhang, Zhifan Xie, Yujie Wang, Dapeng Yuan, Ziyi Zhang, Guiyong Zong, Zhi State Key Laboratory of Structural Analysis Optimization and CAE Software for Industrial Equipment School of Naval Architecture Engineering Dalian University of Technology Dalian116024 China Research & Development Center China Academy of Launch Vehicle Technology Beijing100076 China Collaborative Innovation Center for Advanced Ship and Deep-Sea Exploration Shanghai200240 China

Water entry of a high-speed vehicle with a small angle can easily cause such phenomena as bouncing and unstable trajectory. Underwater explosion near the free surface can provide better wave conditions for vehicle, which may significantly reduce slamming loads and improve trajectory stability. In this paper, The feasibility of water entry of vehicle with small angle in underwater explosion bubble is verified. First, in order to verify the effectively of CEL method for solving problems of water entry and underwater explosion, numerical models of a small sphere entering water and free-field underwater explosion are established. Then, a water entry model of a high-speed vehicle with a small angle under static water surface conditions is established;and its slamming loads and motion trajectory during entry process are analyzed. Finally, numerical model water entry of a vehicle in an underwater explosion bubble is developed. The obtained results for the trajectory and slamming load characteristics are compared with those under static water surface conditions. The results show that underwater explosion near free surface can provide a cavity before water entry can significantly reduce the overload of the vehicle and effectively improve its trajectory stability during entry process. © 2023, The Authors. All rights reserved.

关键词： Trajectories

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