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Thermal Transport In Uo2 With Defects And Fission Products By Molecular Dynamics Simulations
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Book Synopsis Thermal Transport in UO2 with Defects and Fission Products by Molecular Dynamics Simulations by :
Download or read book Thermal Transport in UO2 with Defects and Fission Products by Molecular Dynamics Simulations written by and published by . This book was released on 2015 with total page 19 pages. Available in PDF, EPUB and Kindle. Book excerpt: The importance of the thermal transport in nuclear fuel has motivated a wide range of experimental and modelling studies. In this report, the reduction of thermal transport in UO2 due to defects and fission products has been investigated using non-equilibrium MD simulations, with two sets of empirical potentials for studying the degregation of UO2 thermal conductivity including a Buckingham type interatomic potential and a recently developed EAM type interatomic potential. Additional parameters for U5+ and Zr4+ in UO2 have been developed for the EAM potential. The thermal conductivity results from MD simulations are then corrected for the spin-phonon scattering through Callaway model formulations. To validate the modelling results, comparison was made with experimental measurements on single crystal hyper-stoichiometric UO2+x samples.
Book Synopsis Summary Report on UO2 Thermal Conductivity Model Refinement and Assessment Studies by :
Download or read book Summary Report on UO2 Thermal Conductivity Model Refinement and Assessment Studies written by and published by . This book was released on 2017 with total page 34 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uranium dioxide (UO2) is the most commonly used fuel in light water nuclear reactors and thermal conductivity controls the removal of heat produced by fission, therefore, governing fuel temperature during normal and accident conditions. The use of fuel performance codes by the industry to predict operational behavior is widespread. A primary source of uncertainty in these codes is thermal conductivity, and optimized fuel utilization may be possible if existing empirical models were replaced with models that incorporate explicit thermal conductivity degradation mechanisms during fuel burn-up. This approach is able to represent the degradation of thermal conductivity due to each individual defect type, rather than the overall burn-up measure typically used which is not an accurate representation of the chemical or microstructure state of the fuel that actually governs thermal conductivity and other properties. To generate a mechanistic thermal conductivity model, molecular dynamics (MD) simulations of UO2 thermal conductivity including representative uranium and oxygen defects and fission products are carried out. These calculations employ a standard Buckingham type interatomic potential and a potential that combines the many-body embedded atom method potential with Morse-Buckingham pair potentials. Potential parameters for UO2+x and ZrO2 are developed for the latter potential. Physical insights from the resonant phonon-spin scattering mechanism due to spins on the magnetic uranium ions have been introduced into the treatment of the MD results, with the corresponding relaxation time derived from existing experimental data. High defect scattering is predicted for Xe atoms compared to that of La and Zr ions. Uranium defects reduce the thermal conductivity more than oxygen defects. For each defect and fission product, scattering parameters are derived for application in both a Callaway model and the corresponding high-temperature model typically used in fuel performance codes. The model is validated by comparison to low-temperature experimental measurements on single crystal hyper-stoichiometric UO2+x samples and high-temperature literature data. Ongoing works include investigation of the effect of phase separation to UO2+U4O9 on the low temperature thermal conductivity of UO2+x, and modeling of thermal conductivity using the Green-Kubo method. Ultimately, this work will enable more accurate fuel performance simulations as well as extension to new fuel types and operating conditions, all of which improve the fuel economics of nuclear energy and maintain high fuel reliability and safety.
Book Synopsis Thermal Transport in Uranium Dioxide and Diamond by Atomic Level Simulations by : Taku Watanabe
Download or read book Thermal Transport in Uranium Dioxide and Diamond by Atomic Level Simulations written by Taku Watanabe and published by . This book was released on 2008 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: ABSTRACT: Thermal transport properties of UO2and diamond are investigated using atomic level simulation techniques. In particular, the effects of point defects and GBs are investigated. A nonequilibrium molecular dynamics technique is used to calculate the thermal conductivities of UO2 and diamond. The correct treatment of anharmonicity is found to be important for accurate prediction of thermal transport in crystalline solid. The thermal transport properties of polycrystalline UO2 are investigated. Three effective medium approaches are compared and used to derive the interfacial conductance from our simulation results. The temperature and grain size dependence of the interfacial conductance is also characterized. Defect concentration dependence of the thermal conductivity of UO2 sub "x is obtained. In the effort to understand the nature of vibrational modes in UO2 with point defects, the theory of highly disordered solid is applied. To address the defect production and annihilation mechanisms in UO2, a radiation-damage simulation code has been developed and validated. Thermal transport properties of diamond GBs are investigated and characterized. Connections to the experimental work or collaborators are made.
Book Synopsis Predicting Thermal Conductivity in Nuclear Fuels Using Rattlesnake-Based Deterministic Phonon Transport Simulations by : Jackson R. Harter
Download or read book Predicting Thermal Conductivity in Nuclear Fuels Using Rattlesnake-Based Deterministic Phonon Transport Simulations written by Jackson R. Harter and published by . This book was released on 2016 with total page 105 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Boltzmann transport equation derived in the Self-Adjoint Angular Flux (SAAF) formulation is applied to simulate phonon transport. The neutron transport code Rattlesnake is leveraged in this fashion, slightly modi ed to accept input from variables consistent with phonon transport simulations. Several benchmark problems are modeled to assess the potential of this application to predict thermal conductivity in materials with heterogeneity and isotopic fission products affecting thermal transport. The 1-D, SAAF formulation of the Boltzmann transport equation for phonons is derived along with associated boundary conditions. Comparisons to phonon transport problems solved via deterministic, Monte Carlo (MC) and molecular dynamics (MD) methods are shown. Phonon intensity and heat flux are used to compute thermal conductivity in materials. Phonon transport with Rattlesnake using similar input conditions compares well to test problems in open literature. Transport is simulated in one and two element systems, with special emphasis on uranium dioxide (UO2) with xenon cluster defects. Rattlesnake solutions show thermal conductivity in UO2 decreasing by up to a factor of 4 at elevated temperatures. Transport behavior for these problems appears qualitatively correct, though lack of data for xenon properties yields results which deviate from MD simulations. Results are generally favorable, though the current deterministic phonon transport implementation does not include certain phonon scattering physics. Further development of Rattlesnake is discussed, with an emphasis on coupling with phase fields for better characterization of microstructure in nuclear fuel.
Book Synopsis Multiscale Simulation of Thermo-mechancial Processes in Irradiated Fission-reactor Materials by :
Download or read book Multiscale Simulation of Thermo-mechancial Processes in Irradiated Fission-reactor Materials written by and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The work funded from this project has been published in six papers, with two more in draft form, with submission planned for the near future. The papers are: (1) Kinetically-Evolving Irradiation-Induced Point-Defect Clusters in UO2 by Molecular-Dynamics Simulation; (2) Kinetically driven point-defect clustering in irradiated MgO by molecular-dynamics simulation; (3) Grain-Boundary Source/Sink Behavior for Point Defect: An Atomistic Simulation Study; (4) Energetics of intrinsic point defects in uranium dioxide from electronic structure calculations; (5) Thermodynamics of fission products in UO{sub 2±x}; and (6) Atomistic study of grain boundary sink strength under prolonged electron irradiation. The other two pieces of work that are currently being written-up for publication are: (1) Effect of Pores and He Bubbles on the Thermal Transport Properties of UO2 by Molecular Dynamics Simulation; and (2) Segregation of Ruthenium to Edge Dislocations in Uranium Dioxide.
Book Synopsis A Study of UO2 Grain Boundary Structure and Thermal Resistance Change Under Irradiation Using Molecular Dynamics Simulations by : Tianyi Chen
Download or read book A Study of UO2 Grain Boundary Structure and Thermal Resistance Change Under Irradiation Using Molecular Dynamics Simulations written by Tianyi Chen and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Our study is focused on the behavior of grain boundaries in uranium dioxide system under irradiation conditions. The research can be seen as two parts: the study of interaction of the grain boundary and the damage cascade, and the calculation of Kapitza resistance of grain boundaries. The connection between these two parts lies in that damage cascades bring in changes in the structure and other properties of grain boundaries, and inevitably the Kapitza resistance of the grain boundary changes as well. For the first part, we studied interactions of grain boundaries and damage cascades in uranium dioxide system by simulating two types of bombardments: one direct bombardment into a grain boundary leading to ballistic-collision-mediated interface mixing; the other bombardment is in the close vicinity of a grain boundary causing interface biased defect migration. We found that more defects are trapped by the grain boundary followed by the first type of bombardment, resulting in enhanced grain boundary energy. By comparing with the second type of bombardment, we are able to reveal the mechanisms of the interaction between defects and grain boundaries. For the second part, we employed the non-equilibrium molecular dynamics method to calculate the Kapitza resistance of different coincident site lattice boundaries with or without defects loaded, and later we found that a universal positive correlation between the Kapitza resistance and the grain boundary energy can be well established, regardless of the cause of boundary energy changes. Our study provides a deeper understanding of the Kapitza resistance of the grain boundary and its evolutions under irradiation, which benefits multi-scale modeling of uranium dioxide thermal properties under extreme radiation conditions as well as experimental studies of fuel material thermal properties. The electronic version of this dissertation is accessible from http://hdl.handle.net/1969.1/151387
Book Synopsis Molecular Dynamics Simulations of Uranium Dioxide with Fission Gas and Under Radiation by : Xiangyu Wang
Download or read book Molecular Dynamics Simulations of Uranium Dioxide with Fission Gas and Under Radiation written by Xiangyu Wang and published by . This book was released on 2013 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Comprehensive Nuclear Materials by :
Download or read book Comprehensive Nuclear Materials written by and published by Elsevier. This book was released on 2020-07-22 with total page 4871 pages. Available in PDF, EPUB and Kindle. Book excerpt: Materials in a nuclear environment are exposed to extreme conditions of radiation, temperature and/or corrosion, and in many cases the combination of these makes the material behavior very different from conventional materials. This is evident for the four major technological challenges the nuclear technology domain is facing currently: (i) long-term operation of existing Generation II nuclear power plants, (ii) the design of the next generation reactors (Generation IV), (iii) the construction of the ITER fusion reactor in Cadarache (France), (iv) and the intermediate and final disposal of nuclear waste. In order to address these challenges, engineers and designers need to know the properties of a wide variety of materials under these conditions and to understand the underlying processes affecting changes in their behavior, in order to assess their performance and to determine the limits of operation. Comprehensive Nuclear Materials, Second Edition, Seven Volume Set provides broad ranging, validated summaries of all the major topics in the field of nuclear material research for fission as well as fusion reactor systems. Attention is given to the fundamental scientific aspects of nuclear materials: fuel and structural materials for fission reactors, waste materials, and materials for fusion reactors. The articles are written at a level that allows undergraduate students to understand the material, while providing active researchers with a ready reference resource of information. Most of the chapters from the first Edition have been revised and updated and a significant number of new topics are covered in completely new material. During the ten years between the two editions, the challenge for applications of nuclear materials has been significantly impacted by world events, public awareness, and technological innovation. Materials play a key role as enablers of new technologies, and we trust that this new edition of Comprehensive Nuclear Materials has captured the key recent developments. Critically reviews the major classes and functions of materials, supporting the selection, assessment, validation and engineering of materials in extreme nuclear environments Comprehensive resource for up-to-date and authoritative information which is not always available elsewhere, even in journals Provides an in-depth treatment of materials modeling and simulation, with a specific focus on nuclear issues Serves as an excellent entry point for students and researchers new to the field
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1975 with total page 632 pages. Available in PDF, EPUB and Kindle. Book excerpt: NSA is a comprehensive collection of international nuclear science and technology literature for the period 1948 through 1976, pre-dating the prestigious INIS database, which began in 1970. NSA existed as a printed product (Volumes 1-33) initially, created by DOE's predecessor, the U.S. Atomic Energy Commission (AEC). NSA includes citations to scientific and technical reports from the AEC, the U.S. Energy Research and Development Administration and its contractors, plus other agencies and international organizations, universities, and industrial and research organizations. References to books, conference proceedings, papers, patents, dissertations, engineering drawings, and journal articles from worldwide sources are also included. Abstracts and full text are provided if available.
Download or read book Properties of UO2 written by J. Belle and published by . This book was released on 1957 with total page 146 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Dynamics Simulations and Experimental Measurements of UO2 and UO2+x Thermal Conductivity by :
Download or read book Molecular Dynamics Simulations and Experimental Measurements of UO2 and UO2+x Thermal Conductivity written by and published by . This book was released on 2014 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Fundamentals of Materials for Energy and Environmental Sustainability by : David S. Ginley
Download or read book Fundamentals of Materials for Energy and Environmental Sustainability written by David S. Ginley and published by Cambridge University Press. This book was released on 2011-11-30 with total page 773 pages. Available in PDF, EPUB and Kindle. Book excerpt: How will we meet rising energy demands? What are our options? Are there viable long-term solutions for the future? Learn the fundamental physical, chemical and materials science at the heart of renewable/non-renewable energy sources, future transportation systems, energy efficiency and energy storage. Whether you are a student taking an energy course or a newcomer to the field, this textbook will help you understand critical relationships between the environment, energy and sustainability. Leading experts provide comprehensive coverage of each topic, bringing together diverse subject matter by integrating theory with engaging insights. Each chapter includes helpful features to aid understanding, including a historical overview to provide context, suggested further reading and questions for discussion. Every subject is beautifully illustrated and brought to life with full color images and color-coded sections for easy browsing, making this a complete educational package. Fundamentals of Materials for Energy and Environmental Sustainability will enable today's scientists and educate future generations.
Author :The Minerals, Metals & Materials Society (TMS) Publisher :John Wiley & Sons ISBN 13 :1118663136 Total Pages :1238 pages Book Rating :4.1/5 (186 download)
Book Synopsis TMS 2013 142nd Annual Meeting and Exhibition by : The Minerals, Metals & Materials Society (TMS)
Download or read book TMS 2013 142nd Annual Meeting and Exhibition written by The Minerals, Metals & Materials Society (TMS) and published by John Wiley & Sons. This book was released on 2013-02-22 with total page 1238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presenting papers from the 2013 annual meeting of The Minerals, Metals & Materials Society (TMS), this volume covers developments in all aspects of high temperature electrochemistry, from the fundamental to the empirical and from the theoretical to the applied.
Book Synopsis Advanced Ceramics for Energy Conversion and Storage by : Olivier Guillon
Download or read book Advanced Ceramics for Energy Conversion and Storage written by Olivier Guillon and published by Elsevier. This book was released on 2019-11-20 with total page 750 pages. Available in PDF, EPUB and Kindle. Book excerpt: In order to enable an affordable, sustainable, fossil-free future energy supply, research activities on relevant materials and related technologies have been intensified in recent years, Advanced Ceramics for Energy Conversion and Storage describes the current state-of-the-art concerning materials, properties, processes, and specific applications. Academic and industrial researchers, materials scientists, and engineers will be able to get a broad overview of the use of ceramics in energy applications, while at the same time become acquainted with the most recent developments in the field. With chapters written by recognized experts working in their respective fields the book is a valuable reference source covering the following application areas: ceramic materials and coatings for gas turbines; heat storage and exchange materials for solar thermal energy; ceramics for nuclear energy; ceramics for energy harvesting (thermoelectrics, piezoelectrics, and sunlight conversion); ceramic gas separation membranes; solid oxide fuel cells and electrolysers; and electrochemical storage in battery cells. Advanced Ceramics for Energy Conversion and Storage offers a sound base for understanding the complex requirements related to the technological fields and the ceramic materials that make them possible. The book is also suitable for people with a solid base in materials science and engineering that want to specialize in ceramics. Presents an extensive overview of ceramic materials involved in energy conversion and storage Updates on the tremendous progress that has been achieved in recent years Showcases authors at the forefront of their fields, including results from the huge amount of published data Provides a list of requirements for the materials used for each energy technology Includes an evaluation and comparison of materials available, including their structure, properties and performance
Book Synopsis Nuclear Safety in Light Water Reactors by : Bal Raj Sehgal
Download or read book Nuclear Safety in Light Water Reactors written by Bal Raj Sehgal and published by Academic Press. This book was released on 2012-01-05 with total page 732 pages. Available in PDF, EPUB and Kindle. Book excerpt: La 4e de couverture indique : Organizes and presents all the latest thought on LWR nuclear safety in one consolidated volume, provided by the top experts in the field, ensuring high-quality, credible and easily accessible information.
Book Synopsis Interatomic Bonding in Solids by : Valim Levitin
Download or read book Interatomic Bonding in Solids written by Valim Levitin and published by John Wiley & Sons. This book was released on 2014-02-17 with total page 323 pages. Available in PDF, EPUB and Kindle. Book excerpt: The connection between the quantum behavior of the structure elements of a substance and the parameters that determine the macroscopic behavior of materials has a major influence on the properties exhibited by different solids. Although quantum engineering and theory should complement each other, this is not always the case. This book aims to demonstrate how the properties of materials can be derived and predicted from the features of their structural elements, generally electrons. In a sense, electronic structure forms the glue holding solids together and it is central to determining structural, mechanical, chemical, electrical, magnetic, and vibrational properties. The main part of the book is devoted to an overview of the fundamentals of density functional theory and its applications to computational solid-state physics and chemistry. The author shows the technique for construction of models and the computer simulation methods in detail. He considers fundamentals of physical and chemical interatomic bonding in solids and analyzes the predicted theoretical outcome in comparison with experimental data. He applies first-principle simulation methods to predict the properties of transition metals, semiconductors, oxides, solid solutions, and molecular and ionic crystals. Uniquely, he presents novel theories of creep and fatigue that help to anticipate, and prevent, possibly fatal material failures. As a result, readers gain the knowledge and tools to simulate material properties and design materials with desired characteristics. Due to the interdisciplinary nature of the book, it is suitable for a variety of markets from students to engineers and researchers.
Book Synopsis Advances in Nuclear Fuel Chemistry by : Markus H.A. Piro
Download or read book Advances in Nuclear Fuel Chemistry written by Markus H.A. Piro and published by Woodhead Publishing. This book was released on 2020-03-20 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Nuclear Fuel Chemistry presents a high-level description of nuclear fuel chemistry based on the most recent research and advances. Dr. Markus H.A. Piro and his team of global, expert contributors cover all aspects of both the conventional uranium-based nuclear fuel cycle and non-conventional fuel cycles, including mining, refining, fabrication, and long-term storage, as well as emerging nuclear technologies, such as accident tolerant fuels and molten salt materials. Aimed at graduate students, researchers, academics and practicing engineers and regulators, this book will provide the reader with a single reference from which to learn the fundamentals of classical thermodynamics and radiochemistry. Consolidates the latest research on nuclear fuel chemistry into one comprehensive reference, covering all aspects of traditional and non-traditional nuclear fuel cycles Includes contributions from world-renowned experts from many countries representing government, industry and academia Covers a variety of fuel designs, including conventional uranium dioxide, mixed oxides, research reactor fuels, and molten salt fuels Written by experts with hands-on experience in the development of such designs
