Atomic-Scale Simulation of Defect Cluster Formation in High-Energy Displacement Cascades in Zirconium

Atomic-Scale Simulation of Defect Cluster Formation in High-Energy Displacement Cascades in Zirconium PDF Author: RE. Voskoboinikov
Publisher:
ISBN:
Category : Computer simulation
Languages : en
Pages : 15

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Book Description
A systematic study of damage in high-energy cascades in Zr with primary knock-on-atom (PKA) energy up to 25 keV has been carried out by molecular dynamics (MD) over a temperature range from 100-600 K. The high number of simulations for each condition of temperature and energy has revealed the wide variety of defect clusters that can be created in cascades. Mobile or sessile, two-dimensional (2D) or three-dimensional (3D) clusters of both vacancy and interstitial type can be formed. The population statistics of clusters of each type and the fraction of vacancies and self-interstitial atoms (SIA) in clusters, were obtained, and their dependence on the temperature and PKA energy were investigated. Both vacancy and SIA clusters can be mobile. However, depending on their type, self-interstitial clusters exhibit one-dimensional, planar, or three-dimensional motions, whereas vacancy clusters of only one type can glide in one dimension only. We have also performed separate MD simulations of some SIA and vacancy clusters to study their thermal stability and possible transformations.

Atomic-Scale Simulation of Defect Cluster Formation in High-Energy Displacement Cascades in Zirconium

Atomic-Scale Simulation of Defect Cluster Formation in High-Energy Displacement Cascades in Zirconium PDF Author: RE. Voskoboinikov
Publisher:
ISBN:
Category : Computer simulation
Languages : en
Pages : 15

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Book Description
A systematic study of damage in high-energy cascades in Zr with primary knock-on-atom (PKA) energy up to 25 keV has been carried out by molecular dynamics (MD) over a temperature range from 100-600 K. The high number of simulations for each condition of temperature and energy has revealed the wide variety of defect clusters that can be created in cascades. Mobile or sessile, two-dimensional (2D) or three-dimensional (3D) clusters of both vacancy and interstitial type can be formed. The population statistics of clusters of each type and the fraction of vacancies and self-interstitial atoms (SIA) in clusters, were obtained, and their dependence on the temperature and PKA energy were investigated. Both vacancy and SIA clusters can be mobile. However, depending on their type, self-interstitial clusters exhibit one-dimensional, planar, or three-dimensional motions, whereas vacancy clusters of only one type can glide in one dimension only. We have also performed separate MD simulations of some SIA and vacancy clusters to study their thermal stability and possible transformations.

Effects of Radiation on Materials

Effects of Radiation on Materials PDF Author: Todd R. Allen
Publisher: ASTM International
ISBN: 0803134010
Category : Materials
Languages : en
Pages : 411

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Book Description


Comprehensive Nuclear Materials

Comprehensive Nuclear Materials PDF Author:
Publisher: Elsevier
ISBN: 0081028660
Category : Science
Languages : en
Pages : 4871

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Book Description
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

Fundamentals of Radiation Materials Science

Fundamentals of Radiation Materials Science PDF Author: GARY S. WAS
Publisher: Springer
ISBN: 1493934384
Category : Technology & Engineering
Languages : en
Pages : 1014

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Book Description
The revised second edition of this established text offers readers a significantly expanded introduction to the effects of radiation on metals and alloys. It describes the various processes that occur when energetic particles strike a solid, inducing changes to the physical and mechanical properties of the material. Specifically it covers particle interaction with the metals and alloys used in nuclear reactor cores and hence subject to intense radiation fields. It describes the basics of particle-atom interaction for a range of particle types, the amount and spatial extent of the resulting radiation damage, the physical effects of irradiation and the changes in mechanical behavior of irradiated metals and alloys. Updated throughout, some major enhancements for the new edition include improved treatment of low- and intermediate-energy elastic collisions and stopping power, expanded sections on molecular dynamics and kinetic Monte Carlo methodologies describing collision cascade evolution, new treatment of the multi-frequency model of diffusion, numerous examples of RIS in austenitic and ferritic-martensitic alloys, expanded treatment of in-cascade defect clustering, cluster evolution, and cluster mobility, new discussion of void behavior near grain boundaries, a new section on ion beam assisted deposition, and reorganization of hardening, creep and fracture of irradiated materials (Chaps 12-14) to provide a smoother and more integrated transition between the topics. The book also contains two new chapters. Chapter 15 focuses on the fundamentals of corrosion and stress corrosion cracking, covering forms of corrosion, corrosion thermodynamics, corrosion kinetics, polarization theory, passivity, crevice corrosion, and stress corrosion cracking. Chapter 16 extends this treatment and considers the effects of irradiation on corrosion and environmentally assisted corrosion, including the effects of irradiation on water chemistry and the mechanisms of irradiation-induced stress corrosion cracking. The book maintains the previous style, concepts are developed systematically and quantitatively, supported by worked examples, references for further reading and end-of-chapter problem sets. Aimed primarily at students of materials sciences and nuclear engineering, the book will also provide a valuable resource for academic and industrial research professionals. Reviews of the first edition: "...nomenclature, problems and separate bibliography at the end of each chapter allow to the reader to reach a straightforward understanding of the subject, part by part. ... this book is very pleasant to read, well documented and can be seen as a very good introduction to the effects of irradiation on matter, or as a good references compilation for experimented readers." - Pauly Nicolas, Physicalia Magazine, Vol. 30 (1), 2008 “The text provides enough fundamental material to explain the science and theory behind radiation effects in solids, but is also written at a high enough level to be useful for professional scientists. Its organization suits a graduate level materials or nuclear science course... the text was written by a noted expert and active researcher in the field of radiation effects in metals, the selection and organization of the material is excellent... may well become a necessary reference for graduate students and researchers in radiation materials science.” - L.M. Dougherty, 07/11/2008, JOM, the Member Journal of The Minerals, Metals and Materials Society.

Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics

Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics PDF Author: Bruce J Berne
Publisher: World Scientific
ISBN: 9814496057
Category : Science
Languages : en
Pages : 881

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Book Description
The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.

Chemical Abstracts

Chemical Abstracts PDF Author:
Publisher:
ISBN:
Category : Chemistry
Languages : en
Pages : 2540

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Mechanical Properties of Zirconium

Mechanical Properties of Zirconium PDF Author: F. D. Rosi
Publisher:
ISBN:
Category : Metals
Languages : en
Pages : 22

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Book Description


Positrons in Solids

Positrons in Solids PDF Author: P. Hautojärvi
Publisher: Springer Science & Business Media
ISBN: 364281316X
Category : Science
Languages : en
Pages : 266

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Book Description
In condensed matter initially fast positrons annihilate after having reached equi librium with the surroundings. The interaction of positrons with matter is governed by the laws of ordinary quantum mechanics. Field theory and antiparticle properties enter only in the annihilation process leading to the emergence of energetic photons. The monitoring of annihilation radiation by nuclear spectroscopic methods provides valuable information on the electron-positron system which can directly be related to the electronic structure of the medium. Since the positron is a positive electron its behavior in matter is especially interesting to solid-state and atomic physi cists. The small mass quarantees that the positron is really a quantum mechanical particle and completely different from any other particles and atoms. Positron physics started about 25 years ago but discoveries of new features in its interac tion with matter have maintained continuous interest and increasing activity in the field. Nowadays it is becoming part of the "stock-in-trade" of experimental physics.

Statistical Mechanics

Statistical Mechanics PDF Author: James Sethna
Publisher: OUP Oxford
ISBN: 0191566217
Category : Science
Languages : en
Pages : 374

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Book Description
In each generation, scientists must redefine their fields: abstracting, simplifying and distilling the previous standard topics to make room for new advances and methods. Sethna's book takes this step for statistical mechanics - a field rooted in physics and chemistry whose ideas and methods are now central to information theory, complexity, and modern biology. Aimed at advanced undergraduates and early graduate students in all of these fields, Sethna limits his main presentation to the topics that future mathematicians and biologists, as well as physicists and chemists, will find fascinating and central to their work. The amazing breadth of the field is reflected in the author's large supply of carefully crafted exercises, each an introduction to a whole field of study: everything from chaos through information theory to life at the end of the universe.

Physics Briefs

Physics Briefs PDF Author:
Publisher:
ISBN:
Category : Physics
Languages : en
Pages : 1058

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Book Description