A Study of UO2 Grain Boundary Structure and Thermal Resistance Change Under Irradiation Using Molecular Dynamics Simulations

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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

Energy Research Abstracts

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ISBN 13 :
Total Pages : 640 pages
Book Rating : 4.:/5 (3 download)

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Download or read book Energy Research Abstracts written by and published by . This book was released on 1983 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt:

An Introduction to Nuclear Materials

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Publisher : John Wiley & Sons
ISBN 13 : 3527677089
Total Pages : 398 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis An Introduction to Nuclear Materials by : K. Linga Murty

Download or read book An Introduction to Nuclear Materials written by K. Linga Murty and published by John Wiley & Sons. This book was released on 2013-07-26 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covering both fundamental and advanced aspects in an accessible way, this textbook begins with an overview of nuclear reactor systems, helping readers to familiarize themselves with the varied designs. Then the readers are introduced to different possibilities for materials applications in the various sections of nuclear energy systems. Materials selection and life prediction methodologies for nuclear reactors are also presented in relation to creep, corrosion and other degradation mechanisms. An appendix compiles useful property data relevant for nuclear reactor applications. Throughout the book, there is a thorough coverage of various materials science principles, such as physical and mechanical metallurgy, defects and diffusion and radiation effects on materials, with serious efforts made to establish structure-property correlations wherever possible. With its emphasis on the latest developments and outstanding problems in the field, this is both a valuable introduction and a ready reference for beginners and experienced practitioners alike.

Comprehensive Nuclear Materials

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Publisher : Elsevier
ISBN 13 : 0081028660
Total Pages : 4871 pages
Book Rating : 4.0/5 (81 download)

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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

Scientific and Technical Aerospace Reports

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ISBN 13 :
Total Pages : 702 pages
Book Rating : 4.:/5 (31 download)

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Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Thermal Transport in UO2 with Defects and Fission Products by Molecular Dynamics Simulations

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ISBN 13 :
Total Pages : 19 pages
Book Rating : 4.:/5 (93 download)

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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.

Properties of UO2

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ISBN 13 :
Total Pages : 146 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Properties of UO2 by : J. Belle

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:

Physics Briefs

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ISBN 13 :
Total Pages : 1206 pages
Book Rating : 4.F/5 ( download)

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Download or read book Physics Briefs written by and published by . This book was released on 1993 with total page 1206 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Grain Boundary Porosity and Gas Release in Irradiated UO2

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ISBN 13 :
Total Pages : 26 pages
Book Rating : 4.:/5 (114 download)

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Book Synopsis Grain Boundary Porosity and Gas Release in Irradiated UO2 by : M. O. Tucker

Download or read book Grain Boundary Porosity and Gas Release in Irradiated UO2 written by M. O. Tucker and published by . This book was released on 1979 with total page 26 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Engineered Materials Abstracts

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ISBN 13 :
Total Pages : 658 pages
Book Rating : 4.3/5 (91 download)

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Download or read book Engineered Materials Abstracts written by and published by . This book was released on 1995-04 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Ceramic Abstracts

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ISBN 13 :
Total Pages : 1150 pages
Book Rating : 4.E/5 ( download)

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Book Synopsis Ceramic Abstracts by : American Ceramic Society

Download or read book Ceramic Abstracts written by American Ceramic Society and published by . This book was released on 1995 with total page 1150 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Metal Oxides in Energy Technologies

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Publisher : Elsevier
ISBN 13 : 0128104163
Total Pages : 452 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Metal Oxides in Energy Technologies by : Yuping Wu

Download or read book Metal Oxides in Energy Technologies written by Yuping Wu and published by Elsevier. This book was released on 2018-10-05 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal Oxides in Energy Technologies provides, for the first time, a look at the wide range of energy applications of metal oxides. Topics covered include metal oxides materials and their applications in batteries, supercapacitors, fuel cells, solar cells, supercapacitors, and much more. The book is written by an experienced author of over 240 papers in peer-reviewed journals who was also been recognized as one of Thomson Reuter’s “World’s Most Influential Scientific Minds in 2015. This book presents a unique work that is ideal for academic researchers and engineers. Presents an authoritative overview on metal oxides in energy technologies as written by an expert author who has published extensively in the area Offers up-to-date coverage of a large, rapidly growing and complex literature Focuses on applications, making it an ideal resource for those who want to apply this knowledge in industry

Simulations and Experimental Measurements of UO2 Thermal Conductivity

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ISBN 13 :
Total Pages : 16 pages
Book Rating : 4.:/5 (94 download)

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Book Synopsis Simulations and Experimental Measurements of UO2 Thermal Conductivity by :

Download or read book Simulations and Experimental Measurements of UO2 Thermal Conductivity written by and published by . This book was released on 2015 with total page 16 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spin-phonon interactions lead to low [kappa] of UO2 (and behave like a defect), and this has implications for nuclear fuel performace. The inability to capture spin-phonon scattering leads to inherent errors. The interplay between magnetism and structural asymmetry in UO2 displays rich physics. Grain boundary structure plays a role which must be taken into account.

Science Abstracts

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ISBN 13 :
Total Pages : 1228 pages
Book Rating : 4.F/5 ( download)

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Download or read book Science Abstracts written by and published by . This book was released on 1992 with total page 1228 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Summary Report on UO2 Thermal Conductivity Model Refinement and Assessment Studies

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ISBN 13 :
Total Pages : 34 pages
Book Rating : 4.:/5 (982 download)

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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.

Philosophical Transactions

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ISBN 13 :
Total Pages : 872 pages
Book Rating : 4.:/5 (318 download)

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Download or read book Philosophical Transactions written by and published by . This book was released on 2002 with total page 872 pages. Available in PDF, EPUB and Kindle. Book excerpt:

INIS Atomindex

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ISBN 13 :
Total Pages : 888 pages
Book Rating : 4.3/5 (91 download)

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Download or read book INIS Atomindex written by and published by . This book was released on 1983 with total page 888 pages. Available in PDF, EPUB and Kindle. Book excerpt: