727 research outputs found

    A Review of Computational Methods in Materials Science: Examples from Shock-Wave and Polymer Physics

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    This review discusses several computational methods used on different length and time scales for the simulation of material behavior. First, the importance of physical modeling and its relation to computer simulation on multiscales is discussed. Then, computational methods used on different scales are shortly reviewed, before we focus on the molecular dynamics (MD) method. Here we survey in a tutorial-like fashion some key issues including several MD optimization techniques. Thereafter, computational examples for the capabilities of numerical simulations in materials research are discussed. We focus on recent results of shock wave simulations of a solid which are based on two different modeling approaches and we discuss their respective assets and drawbacks with a view to their application on multiscales. Then, the prospects of computer simulations on the molecular length scale using coarse-grained MD methods are covered by means of examples pertaining to complex topological polymer structures including star-polymers, biomacromolecules such as polyelectrolytes and polymers with intrinsic stiffness. This review ends by highlighting new emerging interdisciplinary applications of computational methods in the field of medical engineering where the application of concepts of polymer physics and of shock waves to biological systems holds a lot of promise for improving medical applications such as extracorporeal shock wave lithotripsy or tumor treatment

    Electricity Tariff Engineering for Integrated Energy Systems

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    Fiscal year 1973 scientific and technical reports, articles, papers, and presentations

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    Formal NASA technical reports, papers published in technical journals, and presentations by MSFC personnel in FY73 are presented. Papers of MSFC contractors are also included

    Pathways to Water Sector Decarbonization, Carbon Capture and Utilization

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    The water sector is in the middle of a paradigm shift from focusing on treatment and meeting discharge permit limits to integrated operation that also enables a circular water economy via water reuse, resource recovery, and system level planning and operation. While the sector has gone through different stages of such revolution, from improving energy efficiency to recovering renewable energy and resources, when it comes to the next step of achieving carbon neutrality or negative emission, it falls behind other infrastructure sectors such as energy and transportation. The water sector carries tremendous potential to decarbonize, from technological advancements, to operational optimization, to policy and behavioural changes. This book aims to fill an important gap for different stakeholders to gain knowledge and skills in this area and equip the water community to further decarbonize the industry and build a carbon-free society and economy. The book goes beyond technology overviews, rather it aims to provide a system level blueprint for decarbonization. It can be a reference book and textbook for graduate students, researchers, practitioners, consultants and policy makers, and it will provide practical guidance for stakeholders to analyse and implement decarbonization measures in their professions

    Expanding the Horizons of Manufacturing: Towards Wide Integration, Smart Systems and Tools

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    This research topic aims at enterprise-wide modeling and optimization (EWMO) through the development and application of integrated modeling, simulation and optimization methodologies, and computer-aided tools for reliable and sustainable improvement opportunities within the entire manufacturing network (raw materials, production plants, distribution, retailers, and customers) and its components. This integrated approach incorporates information from the local primary control and supervisory modules into the scheduling/planning formulation. That makes it possible to dynamically react to incidents that occur in the network components at the appropriate decision-making level, requiring fewer resources, emitting less waste, and allowing for better responsiveness in changing market requirements and operational variations, reducing cost, waste, energy consumption and environmental impact, and increasing the benefits. More recently, the exploitation of new technology integration, such as through semantic models in formal knowledge models, allows for the capture and utilization of domain knowledge, human knowledge, and expert knowledge toward comprehensive intelligent management. Otherwise, the development of advanced technologies and tools, such as cyber-physical systems, the Internet of Things, the Industrial Internet of Things, Artificial Intelligence, Big Data, Cloud Computing, Blockchain, etc., have captured the attention of manufacturing enterprises toward intelligent manufacturing systems

    Pathways to Water Sector Decarbonization, Carbon Capture and Utilization

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    The water sector is in the middle of a paradigm shift from focusing on treatment and meeting discharge permit limits to integrated operation that also enables a circular water economy via water reuse, resource recovery, and system level planning and operation. While the sector has gone through different stages of such revolution, from improving energy efficiency to recovering renewable energy and resources, when it comes to the next step of achieving carbon neutrality or negative emission, it falls behind other infrastructure sectors such as energy and transportation. The water sector carries tremendous potential to decarbonize, from technological advancements, to operational optimization, to policy and behavioural changes. This book aims to fill an important gap for different stakeholders to gain knowledge and skills in this area and equip the water community to further decarbonize the industry and build a carbon-free society and economy. The book goes beyond technology overviews, rather it aims to provide a system level blueprint for decarbonization. It can be a reference book and textbook for graduate students, researchers, practitioners, consultants and policy makers, and it will provide practical guidance for stakeholders to analyse and implement decarbonization measures in their professions

    Assessing Atmospheric Pollution and Its Impacts on the Human Health

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    This reprint contains articles published in the Special Issue entitled "Assessing Atmospheric Pollution and Its Impacts on the Human Health" in the journal Atmosphere. The research focuses on the evaluation of atmospheric pollution by statistical methods on the one hand, and on the other hand, on the evaluation of the relationship between the level of pollution and the extent of its effect on the population's health, especially on pulmonary diseases

    Pathways to Water Sector Decarbonization, Carbon Capture and Utilization

    Get PDF
    The water sector is in the middle of a paradigm shift from focusing on treatment and meeting discharge permit limits to integrated operation that also enables a circular water economy via water reuse, resource recovery, and system level planning and operation. While the sector has gone through different stages of such revolution, from improving energy efficiency to recovering renewable energy and resources, when it comes to the next step of achieving carbon neutrality or negative emission, it falls behind other infrastructure sectors such as energy and transportation. The water sector carries tremendous potential to decarbonize, from technological advancements, to operational optimization, to policy and behavioural changes. This book aims to fill an important gap for different stakeholders to gain knowledge and skills in this area and equip the water community to further decarbonize the industry and build a carbon-free society and economy. The book goes beyond technology overviews, rather it aims to provide a system level blueprint for decarbonization. It can be a reference book and textbook for graduate students, researchers, practitioners, consultants and policy makers, and it will provide practical guidance for stakeholders to analyse and implement decarbonization measures in their professions
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