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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.
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.
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.
In Nucleation in Condensed Matter, key theoretical models for nucleation are developed and experimental data are used to discuss their range of validity. A central aim of this book is to enable the reader, when faced with a phenomenon in which nucleation appears to play a role, to determine whether nucleation is indeed important and to develop a quantitative and predictive description of the nucleation behavior. The third section of the book examines nucleation processes in practical situations, ranging from solid state precipitation to nucleation in biological systems to nucleation in food and drink. Nucleation in Condensed Matter is a key reference for an advanced materials course in phase transformations. It is also an essential reference for researchers in the field. - Unified treatment of key theories, experimental evaluations and case studies - Complete derivation of key models - Detailed discussion of experimental measurements - Examples of nucleation in diverse systems
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.
ASM International and The Minerals, Metals and Materials Society (TMS) have collaborated to present a collection of the selected works of Dr. Greg B. Olson in honor of his 70th birthday in 2017. This collection highlights his influential contributions to the understanding of martensite transformations and the development and application of a systems design approach to materials. Part I: Martensite, with an Introduction by Sir Harry Bhadeshia, emphasizes Dr. Olson's work to develop a dislocation theory for martensite transformations, to improve the understanding of the statistical nature of martensite nucleation, and to expand use of quantitative microscopy to characterize phase transformations. Part II: Materials Design, with an Introduction by Dr. Charles Kuehmann, focuses on the application of a systems design approach to materials and the development of integrated computational design curriculum for undergraduate education. Part II includes several examples of the systems design approach to a variety of applications. The papers chosen for this collection were selected by the editors with input from Dr. Olson.
New models for dislocation structure and motion are presented for nanocrystals, nucleation at grain boundaries, shocked crystals, interphase interfaces, quasicrystals, complex structures with non-planar dislocation cores, and colloidal crystals. A review of experimentally established main features of the magnetoplastic effect with their physical interpretation explains many diverse results of this type. The model has many potential applications for forming processes influenced by magnetic fields. - Dislocation model for the magnetoplastic effect - New mechanism for dislocation nucleation and motion in nanocrystals - New models for the dislocation structure of interfaces between crystals with differing crystallographic structure - A unified view of dislocations in quasicrystals, with a new model for dislocation motion - A general model of dislocation behavior in crystals with non-planar dislocation cores - Dislocation properties at high velocities - Dislocations in colloidal crystals
Bringing together experts from the various disciplines involved, this first comprehensive overview of the current level of stress engineering on the nanoscale is unique in combining the theoretical fundamentals with simulation methods, model systems and characterization techniques. Essential reading for researchers in microelectronics, optoelectronics, sensing, and photonics.
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.