Nucleation Theory

Nucleation Theory

Author: V.I. Kalikmanov

Publisher: Springer

Published: 2012-11-28

Total Pages: 319

ISBN-13: 9048136431

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One of the most striking phenomena in condensed matter physics is the occurrence of abrupt transitions in the structure of a substance at certain temperatures or pressures. These are first order phase transitions, and examples such as the freezing of water are familiar in everyday life. The conditions at which the transformation takes place can sometimes vary. For example, the freezing point of water is not always 0°C, but the liquid can be supercooled considerably if it is pure enough and treated carefully. The reason for this phenomenon is nucleation. This monograph covers all major available routes of theoretical research of nucleation phenomena (phenomenological models, semi-phenomenological theories, density functional theories, microscopic and semi-microscopic approaches), with emphasis on the formation of liquid droplets from a metastable vapor. Also, it illustrates the application of these various approaches to experimentally relevant problems. In spite of the familiarity of the involved phenomena, it is still impossible to calculate nucleation accurately, as the properties and the kinetics of the daughter phase are insufficiently well known. Existing theories based upon classical nucleation theory have on the whole explained the trends in behavior correctly. However they often fail spectacularly to account for new data, in particular in the case of binary or, more generally, multi-component nucleation. The current challenge of this book is to go beyond such classical models and provide a more satisfactory theory by using density functional theory and microscopic computer simulations in order to describe the properties of small clusters. Also, semi-phenomenological models are proposed, which attempt to relate the properties of small clusters to known properties of the bulk phases. This monograph is an introduction as well as a compendium to researchers in soft condensed matter physics and chemical physics, graduate and post-graduate students in physics and chemistry starting on research in the area of nucleation, and to experimentalists wishing to gain a better understanding of the efforts being made to account for their data.


Book Synopsis Nucleation Theory by : V.I. Kalikmanov

Download or read book Nucleation Theory written by V.I. Kalikmanov and published by Springer. This book was released on 2012-11-28 with total page 319 pages. Available in PDF, EPUB and Kindle. Book excerpt: One of the most striking phenomena in condensed matter physics is the occurrence of abrupt transitions in the structure of a substance at certain temperatures or pressures. These are first order phase transitions, and examples such as the freezing of water are familiar in everyday life. The conditions at which the transformation takes place can sometimes vary. For example, the freezing point of water is not always 0°C, but the liquid can be supercooled considerably if it is pure enough and treated carefully. The reason for this phenomenon is nucleation. This monograph covers all major available routes of theoretical research of nucleation phenomena (phenomenological models, semi-phenomenological theories, density functional theories, microscopic and semi-microscopic approaches), with emphasis on the formation of liquid droplets from a metastable vapor. Also, it illustrates the application of these various approaches to experimentally relevant problems. In spite of the familiarity of the involved phenomena, it is still impossible to calculate nucleation accurately, as the properties and the kinetics of the daughter phase are insufficiently well known. Existing theories based upon classical nucleation theory have on the whole explained the trends in behavior correctly. However they often fail spectacularly to account for new data, in particular in the case of binary or, more generally, multi-component nucleation. The current challenge of this book is to go beyond such classical models and provide a more satisfactory theory by using density functional theory and microscopic computer simulations in order to describe the properties of small clusters. Also, semi-phenomenological models are proposed, which attempt to relate the properties of small clusters to known properties of the bulk phases. This monograph is an introduction as well as a compendium to researchers in soft condensed matter physics and chemical physics, graduate and post-graduate students in physics and chemistry starting on research in the area of nucleation, and to experimentalists wishing to gain a better understanding of the efforts being made to account for their data.


Classical Nucleation Theory in Multicomponent Systems

Classical Nucleation Theory in Multicomponent Systems

Author: Hanna Vehkamäki

Publisher: Springer Science & Business Media

Published: 2006-03-22

Total Pages: 189

ISBN-13: 3540312188

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Nucleation is the initial step of every first-order phase transition, and most phase transitions encountered both in everyday life and industrial processes are of the first-order. Using an elegant classical theory based on thermodynamics and kinetics, this book provides a fully detailed picture of multi-component nucleation. As many of the issues concerning multi-component nucleation theory have been solved during the last 10-15 years, it also thoroughly integrates both fundamental theory with recent advances presented in the literature. Classical Nucleation Theory in Multicomponent Systems serves as a textbook for advanced thermodynamics courses, as well as an important reference for researchers in the field. The main topics covered are: the basic relevant thermodynamics and statistical physics; modelling a molecular cluster as a spherical liquid droplet; predicting the size and composition of the nucleating critical clusters; kinetic models for cluster growth and decay; calculating nucleation rates; and a full derivation and application of nucleation theorems that can be used to extract microscopic cluster properties from nucleation rate measurements. The assumptions and approximations needed to build the classical theory are described in detail, and the reasons why the theory fails in certain cases are explained. Relevant problems are presented at the end of each chapter.


Book Synopsis Classical Nucleation Theory in Multicomponent Systems by : Hanna Vehkamäki

Download or read book Classical Nucleation Theory in Multicomponent Systems written by Hanna Vehkamäki and published by Springer Science & Business Media. This book was released on 2006-03-22 with total page 189 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nucleation is the initial step of every first-order phase transition, and most phase transitions encountered both in everyday life and industrial processes are of the first-order. Using an elegant classical theory based on thermodynamics and kinetics, this book provides a fully detailed picture of multi-component nucleation. As many of the issues concerning multi-component nucleation theory have been solved during the last 10-15 years, it also thoroughly integrates both fundamental theory with recent advances presented in the literature. Classical Nucleation Theory in Multicomponent Systems serves as a textbook for advanced thermodynamics courses, as well as an important reference for researchers in the field. The main topics covered are: the basic relevant thermodynamics and statistical physics; modelling a molecular cluster as a spherical liquid droplet; predicting the size and composition of the nucleating critical clusters; kinetic models for cluster growth and decay; calculating nucleation rates; and a full derivation and application of nucleation theorems that can be used to extract microscopic cluster properties from nucleation rate measurements. The assumptions and approximations needed to build the classical theory are described in detail, and the reasons why the theory fails in certain cases are explained. Relevant problems are presented at the end of each chapter.


Nucleation Theory and Applications

Nucleation Theory and Applications

Author: Jürn W. P. Schmelzer

Publisher: John Wiley & Sons

Published: 2006-03-06

Total Pages: 472

ISBN-13: 3527604766

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An overview of recent developments in the field of first-order phase transitions, which may be considered a continuation of the previous work 'Aggregation Phenomena in Complex Systems', covering work done and discussed since then. Each chapter features a different aspect of the field written by international specialists, and covers such topics as nucleation and crystallization kinetic of silicate glasses, nucleation in concentration gradients, the determination of coefficients of emission of nucleation theory, diamonds from vitreous carbon.


Book Synopsis Nucleation Theory and Applications by : Jürn W. P. Schmelzer

Download or read book Nucleation Theory and Applications written by Jürn W. P. Schmelzer and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: An overview of recent developments in the field of first-order phase transitions, which may be considered a continuation of the previous work 'Aggregation Phenomena in Complex Systems', covering work done and discussed since then. Each chapter features a different aspect of the field written by international specialists, and covers such topics as nucleation and crystallization kinetic of silicate glasses, nucleation in concentration gradients, the determination of coefficients of emission of nucleation theory, diamonds from vitreous carbon.


Nucleation Theory and Growth of Nanostructures

Nucleation Theory and Growth of Nanostructures

Author: Vladimir G. Dubrovskii

Publisher: Springer Science & Business Media

Published: 2013-12-04

Total Pages: 610

ISBN-13: 3642396607

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Semiconductor nanostructures such as nanowires are promising building blocks of future nanoelectronic, nanophotonic and nanosensing devices. Their physical properties are primarily determined by the epitaxy process which is rather different from the conventional thin film growth. This book shows how the advanced nucleation theory can be used in modeling of growth properties, morphology and crystal phase of such nanostructures. The book represents a systematic account of modern nucleation theory in open systems, nanostructure nucleation and growth mechanisms, and possibilities for tuning the nanostructure properties to the desired values.


Book Synopsis Nucleation Theory and Growth of Nanostructures by : Vladimir G. Dubrovskii

Download or read book Nucleation Theory and Growth of Nanostructures written by Vladimir G. Dubrovskii and published by Springer Science & Business Media. This book was released on 2013-12-04 with total page 610 pages. Available in PDF, EPUB and Kindle. Book excerpt: Semiconductor nanostructures such as nanowires are promising building blocks of future nanoelectronic, nanophotonic and nanosensing devices. Their physical properties are primarily determined by the epitaxy process which is rather different from the conventional thin film growth. This book shows how the advanced nucleation theory can be used in modeling of growth properties, morphology and crystal phase of such nanostructures. The book represents a systematic account of modern nucleation theory in open systems, nanostructure nucleation and growth mechanisms, and possibilities for tuning the nanostructure properties to the desired values.


Nucleation

Nucleation

Author: Dimo Kashchiev

Publisher: Elsevier

Published: 2000-02-22

Total Pages: 551

ISBN-13: 0080537839

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This book represents a detailed and systematic account of the basic principles, developments and applications of the theory of nucleation. The formation of new phases begins with the process of nucleation and is, therefore, a widely spread phenomenon in both nature and technology. Condensation and evaporation, crystal growth, electrodeposition, melt crystallization, growth of thin films for microelectronics, volcano eruption and formation of particulate matter in space are only a few of the processes in which nucleation plays a prominent role. The book has four parts, which are devoted to the thermodynamics of nucleation, the kinetics of nucleation, the effect of various factors on nucleation and the application of the theory to other processes, which involve nucleation. The first two parts describe in detail the two basic approaches in nucleation theory - the thermodynamic and the kinetic ones. They contain derivations of the basic and most important formulae of the theory and discuss their limitations and possibilities for improvement. The third part deals with some of the factors that can affect nucleation and is a natural continuation of the first two chapters. The last part is devoted to the application of the theory to processes of practical importance such as melt crystallization and polymorphic transformation, crystal growth and growth of thin solid films, size distribution of droplets and crystallites in condensation and crystallization. The book is not just an account of the status quo in nucleation theory - throughout the book there are a number of new results as well as extensions and generalisations of existing ones.


Book Synopsis Nucleation by : Dimo Kashchiev

Download or read book Nucleation written by Dimo Kashchiev and published by Elsevier. This book was released on 2000-02-22 with total page 551 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book represents a detailed and systematic account of the basic principles, developments and applications of the theory of nucleation. The formation of new phases begins with the process of nucleation and is, therefore, a widely spread phenomenon in both nature and technology. Condensation and evaporation, crystal growth, electrodeposition, melt crystallization, growth of thin films for microelectronics, volcano eruption and formation of particulate matter in space are only a few of the processes in which nucleation plays a prominent role. The book has four parts, which are devoted to the thermodynamics of nucleation, the kinetics of nucleation, the effect of various factors on nucleation and the application of the theory to other processes, which involve nucleation. The first two parts describe in detail the two basic approaches in nucleation theory - the thermodynamic and the kinetic ones. They contain derivations of the basic and most important formulae of the theory and discuss their limitations and possibilities for improvement. The third part deals with some of the factors that can affect nucleation and is a natural continuation of the first two chapters. The last part is devoted to the application of the theory to processes of practical importance such as melt crystallization and polymorphic transformation, crystal growth and growth of thin solid films, size distribution of droplets and crystallites in condensation and crystallization. The book is not just an account of the status quo in nucleation theory - throughout the book there are a number of new results as well as extensions and generalisations of existing ones.


Homogeneous Nucleation Theory

Homogeneous Nucleation Theory

Author:

Publisher:

Published: 1974

Total Pages:

ISBN-13: 9780120383610

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Book Synopsis Homogeneous Nucleation Theory by :

Download or read book Homogeneous Nucleation Theory written by and published by . This book was released on 1974 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:


Kinetic Theory of Nucleation

Kinetic Theory of Nucleation

Author: Eli Ruckenstein

Publisher: CRC Press

Published: 2016-06-20

Total Pages: 476

ISBN-13: 1138032174

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Explore a Kinetic Approach to the Description of Nucleation – An Alternative to the Classical Nucleation Theory Kinetic Theory of Nucleation presents an alternative to the classical theory of nucleation in gases and liquids—the kinetic nucleation theory of Ruckenstein–Narsimhan–Nowakowski (RNNT). RNNT uses the kinetic theory of fluids to calculate the rate of evaporation of molecules from clusters, and unlike the classical nucleation theory (CNT), does not require macroscopic thermodynamics or the detailed balance principle. The book compares the rates of evaporation of molecules from—and condensation on—the surface of a nucleus of a new phase, and explains how this alternate approach can provide much higher nucleation rates than the CNT. It applies RNNT to various case studies that include the liquid-to-solid and vapor-to-liquid phase transitions, binary nucleation, heterogeneous nucleation, nucleation on soluble particles and protein folding. It also describes the system, introduces the basic equations of the kinetic theory, and defines a new model for the nucleation mechanism of protein folding. Adaptable to coursework as well as self-study, this insightful book: Uses a kinetic approach to calculate the rate of growth and decay of a cluster Includes description of vapor-to-liquid and liquid-to-solid nucleation Outlines the application of density-functional theory (DFT) methods to nucleation Proposes the combination of the new kinetic theory of nucleation with the DFT methods Illustrates the new theory with numerical calculations Describes the model for the nucleation mechanism of protein folding, and more A comprehensive guide dedicated to the kinetic theory of nucleation and cluster growth, Kinetic Theory of Nucleation emphasizes the basic concepts of the kinetic nucleation theory, incorporates findings developed from years of research and experience, and is written by highly-regarded experts.


Book Synopsis Kinetic Theory of Nucleation by : Eli Ruckenstein

Download or read book Kinetic Theory of Nucleation written by Eli Ruckenstein and published by CRC Press. This book was released on 2016-06-20 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explore a Kinetic Approach to the Description of Nucleation – An Alternative to the Classical Nucleation Theory Kinetic Theory of Nucleation presents an alternative to the classical theory of nucleation in gases and liquids—the kinetic nucleation theory of Ruckenstein–Narsimhan–Nowakowski (RNNT). RNNT uses the kinetic theory of fluids to calculate the rate of evaporation of molecules from clusters, and unlike the classical nucleation theory (CNT), does not require macroscopic thermodynamics or the detailed balance principle. The book compares the rates of evaporation of molecules from—and condensation on—the surface of a nucleus of a new phase, and explains how this alternate approach can provide much higher nucleation rates than the CNT. It applies RNNT to various case studies that include the liquid-to-solid and vapor-to-liquid phase transitions, binary nucleation, heterogeneous nucleation, nucleation on soluble particles and protein folding. It also describes the system, introduces the basic equations of the kinetic theory, and defines a new model for the nucleation mechanism of protein folding. Adaptable to coursework as well as self-study, this insightful book: Uses a kinetic approach to calculate the rate of growth and decay of a cluster Includes description of vapor-to-liquid and liquid-to-solid nucleation Outlines the application of density-functional theory (DFT) methods to nucleation Proposes the combination of the new kinetic theory of nucleation with the DFT methods Illustrates the new theory with numerical calculations Describes the model for the nucleation mechanism of protein folding, and more A comprehensive guide dedicated to the kinetic theory of nucleation and cluster growth, Kinetic Theory of Nucleation emphasizes the basic concepts of the kinetic nucleation theory, incorporates findings developed from years of research and experience, and is written by highly-regarded experts.


Homogeneous Nucleation Theory

Homogeneous Nucleation Theory

Author: Farid Abraham

Publisher: Elsevier

Published: 2012-12-02

Total Pages: 278

ISBN-13: 0323158048

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Homogeneous Nucleation Theory: The Pretransition Theory of Vapor Condensation discusses the influence of classical thermodynamics, statistical mechanics, and multistate kinetics on the homogeneous nucleation theory. This book is organized into 10 chapters and begins with a simple model calculation that yields an important insight into the major physical features governing supersaturated vapor condensation. The following chapters explore the development of the theory of equilibrium thermodynamics pertinent to the study of a nucleation phenomena and a postulatory formulation of statistical mechanics and its relation to the calculation of the thermodynamic potentials. The discussion then shifts to a statistical thermodynamics description of an imperfect gas assuming the droplet model of Band-Bijl-Frenkel and to the development of the multistate kinetics of cluster formation. The book also explores the development of the classical Einstein theory for crystalline solids and generalizes this theory for its applications to planar surfaces of microcrystalline clusters. It also presents a comparison of the exact free energies for the microcrystallites with the predictions of the droplet model using the capillarity approximation. Three distinct approaches for calculating the thermodynamic properties of physical clusters are covered in the concluding chapters.


Book Synopsis Homogeneous Nucleation Theory by : Farid Abraham

Download or read book Homogeneous Nucleation Theory written by Farid Abraham and published by Elsevier. This book was released on 2012-12-02 with total page 278 pages. Available in PDF, EPUB and Kindle. Book excerpt: Homogeneous Nucleation Theory: The Pretransition Theory of Vapor Condensation discusses the influence of classical thermodynamics, statistical mechanics, and multistate kinetics on the homogeneous nucleation theory. This book is organized into 10 chapters and begins with a simple model calculation that yields an important insight into the major physical features governing supersaturated vapor condensation. The following chapters explore the development of the theory of equilibrium thermodynamics pertinent to the study of a nucleation phenomena and a postulatory formulation of statistical mechanics and its relation to the calculation of the thermodynamic potentials. The discussion then shifts to a statistical thermodynamics description of an imperfect gas assuming the droplet model of Band-Bijl-Frenkel and to the development of the multistate kinetics of cluster formation. The book also explores the development of the classical Einstein theory for crystalline solids and generalizes this theory for its applications to planar surfaces of microcrystalline clusters. It also presents a comparison of the exact free energies for the microcrystallites with the predictions of the droplet model using the capillarity approximation. Three distinct approaches for calculating the thermodynamic properties of physical clusters are covered in the concluding chapters.


Classical Nucleation Theory in Multicomponent Systems

Classical Nucleation Theory in Multicomponent Systems

Author: Hanna Vehkamäki

Publisher: Springer Science & Business Media

Published: 2006-01-12

Total Pages: 189

ISBN-13: 3540292136

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Nucleation is the initial step of every first-order phase transition, and most phase transitions encountered both in everyday life and industrial processes are of the first-order. Using an elegant classical theory based on thermodynamics and kinetics, this book provides a fully detailed picture of multi-component nucleation. As many of the issues concerning multi-component nucleation theory have been solved during the last 10-15 years, it also thoroughly integrates both fundamental theory with recent advances presented in the literature. Classical Nucleation Theory in Multicomponent Systems serves as a textbook for advanced thermodynamics courses, as well as an important reference for researchers in the field. The main topics covered are: the basic relevant thermodynamics and statistical physics; modelling a molecular cluster as a spherical liquid droplet; predicting the size and composition of the nucleating critical clusters; kinetic models for cluster growth and decay; calculating nucleation rates; and a full derivation and application of nucleation theorems that can be used to extract microscopic cluster properties from nucleation rate measurements. The assumptions and approximations needed to build the classical theory are described in detail, and the reasons why the theory fails in certain cases are explained. Relevant problems are presented at the end of each chapter.


Book Synopsis Classical Nucleation Theory in Multicomponent Systems by : Hanna Vehkamäki

Download or read book Classical Nucleation Theory in Multicomponent Systems written by Hanna Vehkamäki and published by Springer Science & Business Media. This book was released on 2006-01-12 with total page 189 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nucleation is the initial step of every first-order phase transition, and most phase transitions encountered both in everyday life and industrial processes are of the first-order. Using an elegant classical theory based on thermodynamics and kinetics, this book provides a fully detailed picture of multi-component nucleation. As many of the issues concerning multi-component nucleation theory have been solved during the last 10-15 years, it also thoroughly integrates both fundamental theory with recent advances presented in the literature. Classical Nucleation Theory in Multicomponent Systems serves as a textbook for advanced thermodynamics courses, as well as an important reference for researchers in the field. The main topics covered are: the basic relevant thermodynamics and statistical physics; modelling a molecular cluster as a spherical liquid droplet; predicting the size and composition of the nucleating critical clusters; kinetic models for cluster growth and decay; calculating nucleation rates; and a full derivation and application of nucleation theorems that can be used to extract microscopic cluster properties from nucleation rate measurements. The assumptions and approximations needed to build the classical theory are described in detail, and the reasons why the theory fails in certain cases are explained. Relevant problems are presented at the end of each chapter.


The Validity of Classical Nucleation Theory and Its Application to Dislocation Nucleation

The Validity of Classical Nucleation Theory and Its Application to Dislocation Nucleation

Author: Seunghwa Ryu

Publisher: Stanford University

Published: 2011

Total Pages: 240

ISBN-13:

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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.


Book Synopsis The Validity of Classical Nucleation Theory and Its Application to Dislocation Nucleation by : Seunghwa Ryu

Download or read book The Validity of Classical Nucleation Theory and Its Application to Dislocation Nucleation written by Seunghwa Ryu and published by Stanford University. This book was released on 2011 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.