The Validity Of Classical Nucleation Theory And Its Application To Dislocation Nucleation
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The Validity Of Classical Nucleation Theory And Its Application To Dislocation Nucleation
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Author : Seunghwa Ryu
language : en
Publisher: Stanford University
Release Date : 2011
The Validity Of Classical Nucleation Theory And Its Application To Dislocation Nucleation written by Seunghwa Ryu and has been published by Stanford University this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011 with categories.
Nucleation has been the subject of intense research because it plays an important role in the dynamics of most first-order phase transitions. The standard theory to describe the nucleation phenomena is the classical nucleation theory (CNT) because it correctly captures the qualitative features of the nucleation process. However potential problems with CNT have been suggested by previous studies. We systematically test the individual components of CNT by computer simulations of the Ising model and find that it accurately predicts the nucleation rate if the correct droplet free energy computed by umbrella sampling is provided as input. This validates the fundamental assumption of CNT that the system can be coarse grained into a one dimensional Markov chain with the largest droplet size as the reaction coordinate. Employing similar simulation techniques, we study the dislocation nucleation which is essential to our understanding of plastic deformation, ductility, and mechanical strength of crystalline materials. We show that dislocation nucleation rates can be accurately predicted over a wide range of conditions using CNT with the activation free energy determined by umbrella sampling. Our data reveal very large activation entropies, which contribute a multiplicative factor of many orders of magnitude to the nucleation rate. The activation entropy at constant strain is caused by thermal expansion, with negligible contribution from the vibrational entropy. The activation entropy at constant stress is significantly larger than that at constant strain, as a result of thermal softening. The large activation entropies are caused by anharmonic effects, showing the limitations of the harmonic approximation widely used for rate estimation in solids. Similar behaviors are expected to occur in other nucleation processes in solids.
The Validity Of Classical Nucleation Theory And Its Application To Dislocation Nucleation
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Author : Seunghwa Ryu
language : en
Publisher:
Release Date : 2011
The Validity Of Classical Nucleation Theory And Its Application To Dislocation Nucleation written by Seunghwa Ryu and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011 with categories.
Nucleation has been the subject of intense research because it plays an important role in the dynamics of most first-order phase transitions. The standard theory to describe the nucleation phenomena is the classical nucleation theory (CNT) because it correctly captures the qualitative features of the nucleation process. However potential problems with CNT have been suggested by previous studies. We systematically test the individual components of CNT by computer simulations of the Ising model and find that it accurately predicts the nucleation rate if the correct droplet free energy computed by umbrella sampling is provided as input. This validates the fundamental assumption of CNT that the system can be coarse grained into a one dimensional Markov chain with the largest droplet size as the reaction coordinate. Employing similar simulation techniques, we study the dislocation nucleation which is essential to our understanding of plastic deformation, ductility, and mechanical strength of crystalline materials. We show that dislocation nucleation rates can be accurately predicted over a wide range of conditions using CNT with the activation free energy determined by umbrella sampling. Our data reveal very large activation entropies, which contribute a multiplicative factor of many orders of magnitude to the nucleation rate. The activation entropy at constant strain is caused by thermal expansion, with negligible contribution from the vibrational entropy. The activation entropy at constant stress is significantly larger than that at constant strain, as a result of thermal softening. The large activation entropies are caused by anharmonic effects, showing the limitations of the harmonic approximation widely used for rate estimation in solids. Similar behaviors are expected to occur in other nucleation processes in solids.
Industrial And Technological Applications Of Transport In Porous Materials
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Author : J.M.P.Q. Delgado
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-08-17
Industrial And Technological Applications Of Transport In Porous Materials written by J.M.P.Q. Delgado and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-08-17 with Technology & Engineering categories.
The purpose of this book, Industrial and Technological Applications of Transport in Porous Materials, is to provide a collection of recent contributions in the field of heat and mass transfer in porous media and their industrial and technological applications. The main benefit of the book is that it discusses some of the most important topics related to transport phenomenon in engineering and their future applications. It includes a set of new technological applications in the field of heat and mass transfer phenomena in a porous medium domain, such as, drying technology, filtration, infrared thermography, energy, recycling, etc. At the same time, these topics will be going to the encounter of a variety of scientific and engineering disciplines, such as chemical, civil, agricultural, mechanical engineering, etc. The book is divided in several chapters that intend to be a resume of the current state of knowledge for benefit of professional colleagues.
Atomistic Modeling Of Materials Failure
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Author : Markus J. Buehler
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-08-07
Atomistic Modeling Of Materials Failure written by Markus J. Buehler and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-08-07 with Science categories.
This is an introduction to molecular and atomistic modeling techniques applied to fracture and deformation of solids, focusing on a variety of brittle, ductile, geometrically confined and biological materials. The overview includes computational methods and techniques operating at the atomic scale, and describes how these techniques can be used to model cracks and other deformation mechanisms. The book aims to make new molecular modeling techniques available to a wider community.
Office Of Naval Research
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Author :
language : en
Publisher:
Release Date : 1987
Office Of Naval Research written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1987 with Naval art and science categories.
Electrochemical Phase Formation And Growth
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Author : Evgeni B. Budevski
language : en
Publisher: John Wiley & Sons
Release Date : 2008-07-11
Electrochemical Phase Formation And Growth written by Evgeni B. Budevski and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-07-11 with Science categories.
Electrochemical processes and methods are basic to many important scientific disciplines, materials science and nanotechnology being only two keywords. For the first time in more than twenty years this volume presents a critical survey of the foundations, methodology and applications of electrochemical phase formation and growth processes. Written by a team of three internationally renowned authors, it is an invaluable source of information for all scientists concerned with electrocrystallization of metals or the in-situ characterization of electron-conducting surfaces. Not only the numerous illustrations (partly in colour) but also the vast number of references covering the literature up to and including 1995 make this volume indispensable for every laboratory working in electrochemical or materials science.
Proceedings Of The International Conference On Martensitic Transformations
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Author :
language : en
Publisher:
Release Date : 1979
Proceedings Of The International Conference On Martensitic Transformations written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1979 with Martensitic transformations categories.
The Theory Of Transformations In Metals And Alloys
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Author : John Christian
language : en
Publisher: Newnes
Release Date : 2002-12-10
The Theory Of Transformations In Metals And Alloys written by John Christian and has been published by Newnes this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-12-10 with Technology & Engineering categories.
This work is a classic reference text for metallurgists, material scientists and crystallographers. The first edition was published in 1965. The first part of that edition was revised and re-published in 1975 and again in 1981. The present two-part set represents the eagerly awaited full revision by the author of his seminal work, now published as Parts I and II. Professor Christian was one of the founding fathers of materials science and highly respected worldwide. The new edition of his book deserves a place on the bookshelf of every materials science and engineering department. Suitable thermal and mechanical treatments will produce extensive rearrangements of the atoms in metals and alloys, and corresponding marked variations in physical and chemical properties. This book describes how such changes in the atomic configuration are effected, and discusses the associated kinetic and crystallographic features. It deals with areas such as lattice geometry, point defects, dislocations, stacking faults, grain and interphase boundaries, solid solutions, diffusion, etc. The first part covers the general theory while the second part is concerned with descriptions of specific types of transformations.
Faraday Discussions Of The Chemical Society
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Author :
language : en
Publisher:
Release Date : 1976
Faraday Discussions Of The Chemical Society written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1976 with Chemistry categories.
Discussions Of The Faraday Society
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Author :
language : en
Publisher:
Release Date : 1976
Discussions Of The Faraday Society written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1976 with Chemistry categories.