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The papers presented in this volume report the striking progress X-ray diffraction has facilitated in the study of structural molecular biology. Coupled with the revival of the Laue method, the advent of high-intensity synchrotron radiation sources has made possible the rapid collection of X-ray crystallography data, thereby allowing protein and virus crystallography to progress from studies of equilibrium structures to time-resolved studies of structures at reaction stages. The book also details the many recent technological developments in physics, chemistry and biochemistry that have been critical for the full exploitation of the synchrotron Laue method in the study of dynamic events in crystals. Necessary future developments are discussed.
Processes involving randomly moving particles, which react either upon encounter or via distance-dependent reaction rates, are ubiquitous in nature. A few stray examples are recombination of ions or holes and electrons, excitation energy migration and quenching, trapping of particles by other species, coagulation, binding of ligands and proteins to specific sites, chemotaxis, catalytically-induced self-propulsion, polymerization, growth of dendrites or aggregates, or nuclei of a new phase.Several decades ago, it was recognized that the kinetic behavior in some systems with reactions and random transport is strongly affected by many factors, which were not taken into account in previous studies. These are, to name but a few, fluctuations in the spatial distributions of the reactants and fluctuations of the reactivity, some essentially many-particle phenomena, effects of anomalous diffusion, molecular crowding, as well as the internal geometry of the reaction bath. Within recent years, along with a growing interest in chemical processes ocurring in biological systems or cellular environments, numerous advances have been made and considerable knowledge has been acquired. These seminal contributions are, however, scattered among many journals and no attempt has been made so far to present a unified picture.This book presents a general overview of different contemporary facets of chemical kinetics in a variety of different environments. It includes 23 seminal works and reviews on different aspects of reaction processes in chemical, physical and biophysical systems, both theoretical and experimental.
Nonlinear partial differential equations abound in modern physics. The problems arising in these fields lead to fascinating questions and, at the same time, progress in understanding the mathematical structures is of great importance to the models. Nevertheless, activity in one of the approaches is not always sufficiently in touch with developments in the other field. The book presents the joint efforts of mathematicians and physicists involved in modelling reactive flows, in particular superconductivity and superfluidity. Certain contributions are fundamental to an understanding of such cutting-edge research topics as rotating Bose-Einstein condensates, Kolmogorov-Zakharov solutions for weak turbulence equations, and the propagation of fronts in heterogeneous media.
The XVI International Workshop on Condensed Matter Theories (CMT) was held in San Juan. Puerto Rico between June 1 and 5, 1992. It was attended by about 80 scientists from allover the world. The Workshop was started in 1977 by V. C. Aguilera-Navarro, in Sao Paolo, Brazil, as the Panamerican Workshop on Condensed Matter Theories, to promote the exchange of ideas and techniques of groups that normally do not interact, such as people working in the areas of Nuclear Physics and Solid state Physics, Many Body Theory, or Quantum Fluids, and Classical Statistical Mechanics, and so on. It had also the purpose of bringing together people from different regions of the globe. The next CMT Workshop was held in 1978 in Trieste, Italy, outside of America. But the next four met in the American continent: Buenos Aires, Argentina (1979), Caracas, Venezuela (1980), Mexico City, Mexico (1981), and St. Louis, Missouri (1982). At this time the scope and the participation had increased, and the name was changed to the "International" Workshop in CMT. The 1983 edition took place in Altenberg, Germany. The following CMT workshops took place in Granada, Spain (1984), San Francisco, California (1985), Argonne, Illinois (1986), Oulu, Finland (1987), Taxco, Mexico (1988), Campos do Jordao, Brazil (1989), Elba Island, Italy (1990), and Mar del Plata, Argentina (1991). There were 48 invited talks in this Workshop.
This book presents an authoritative and in-depth treatment of potential energy landscape theory, a powerful analytical approach to describing the atomic and molecular interactions in condensed-matter phenomena. Drawing on the latest developments in the computational modeling of many-body systems, Frank Stillinger applies this approach to a diverse range of substances and systems, including crystals, liquids, glasses and other amorphous solids, polymers, and solvent-suspended biomolecules. Stillinger focuses on the topography of the multidimensional potential energy hypersurface created when a large number of atoms or molecules simultaneously interact with one another. He explains how the complex landscape topography separates uniquely into individual "basins," each containing a local potential energy minimum or "inherent structure," and he shows how to identify interbasin transition states—saddle points—that reside in shared basin boundaries. Stillinger describes how inherent structures and their basins can be classified and enumerated by depth, curvatures, and other attributes, and how those enumerations lead logically from vastly complicated multidimensional landscapes to properties observed in the real three-dimensional world. Essential for practitioners and students across a variety of fields, the book illustrates how this approach applies equally to systems whose nuclear motions are intrinsically quantum mechanical or classical, and provides novel strategies for numerical simulation computations directed toward diverse condensed-matter systems.
More than a decade ago, because of the phenomenal growth in the power of computer simulations, The University of Georgia formed the first institutional unit devoted to the use of simulations in research and teaching: The Center for Simulational Physics. As the simulations community expanded further, we sensed a need for a meeting place for both experienced simulators and neophytes to discuss new techniques and recent results in an environment which promoted extended discussion. As a consequence, the Center for Simulational Physics established an annual workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics. This year's workshop was the eleventh in this series, and the interest shown by the scientific community demonstrates quite clearly the useful purpose which the series has served. The latest workshop was held at The University of Georgia, February 23-27, 1998, and these proceedings provide a "status report" on a number of important topics. This volume is published with the goal of timely dissemination of the material to a wider audience. We wish to offer a special thanks to IBM Corporation for their generous support of this year's workshop. This volume contains both invited papers and contributed presentations on problems in both classical and quantum condensed matter physics. We hope that each reader will benefit from specialized results as well as profit from exposure to new algorithms, methods of analysis, and conceptual developments. Athens, GA, U. S. A. D. P. Landau April 1998 H-B.
This collection of independent articles describes some mathematical problems recently developed in statistical physics and theoretical chemistry. The book introduces and reviews current research on such topics as nonlinear systems and colored noise, stochastic resonance, percolation, the trapping problem in the theory of random walks, and diffusive models for chemical kinetics. Some of these topics have never before been presented in expository book form. Applied mathematicians will be introduced to some contemporary problems in statistical physics. In addition, a number of unsolved problems currently attracting intensive research efforts are described, and some of the techniques used in this research are outlined, along with principal results and outstanding questions. A wide spectrum of mathematical techniques is covered, but the main emphasis is on introducing the mathematician to different research areas with open and interesting problems. This is an ideal starting point for the mathematician with an elementary acquaintance with the methodology of statistical physics. The material is meant to be introductory and terms are carefully defined. Many topics that require further study are introduced, providing new research ideas for the applied mathematician or thesis problems for the graduate student.
Introductory kinetics for the undergrad materials scientist Materials Kinetics Fundamentals is an accessible and interesting introduction to kinetics processes, with a focus on materials systems. Designed for the undergraduate student, this book avoids intense mathematics to present the theory and application of kinetics in a clear, reader-friendly way. Students are first introduced to the fundamental concepts of kinetics, with illustrated diagrams, examples, text boxes, and homework questions that impart a unified, intuitive understanding. Further chapters cover the application of these concepts in the context of materials science, with real-world examples including silicon processing and integrated circuit fabrication, thin-film deposition, carbon-14 dating, steel degassing, energy conversion, and more. Instructor materials including a test bank are available through the companion website, providing a complete resource for the undergraduate materials science student. At its core, kinetics deals with rates, telling us how fast something will take place – for example, how fast water will evaporate, or how fast molten silicon will solidify. This book is designed to provide students with an introduction to kinetics' underlying principles, without rigorous math to distract from understanding. Understand universally important kinetic concepts like diffusion and reaction rate Model common kinetic processes both quantitatively and qualitatively Learn the mechanisms behind important and interesting materials systems Examine the behaviors, properties, and interactions of relevant solid materials There are a large number of books on chemical kinetics, but there are far fewer that focus on materials kinetics, and virtually none that provide an accessible, introductory-level treatment of the subject. Materials Kinetics Fundamentals fills that need, with clear, detailed explanations of these universal concepts.
Introduction to Condensed Matter Chemistry offers a general view of chemistry from the perspective of condensed matter chemistry, analyzing and contrasting chemical reactions in a more realistic setting than traditional thinking. Readers will also find discussions on the goals and major scientific questions in condensed matter chemistry and the molecular engineering of functional condensed matter. Processes and products of chemical reactions should not be determined solely by the structure and composition of these basic species but also by the complex and possibly multilevel structured physical and chemical environment, together referred to as their condensed state. Relevant matters in condensed state should be the main bodies of chemical reactions, which is applicable not only to solids and liquids but also to gas molecules as reactions among gas molecules can take place only in the presence of catalysts in specific condensed states or after their state transition under extreme reaction conditions. This book provides new insights on the liquid state chemistry, definitions, aspects, and interactions, summarizing fundamentals of main chemical reactions from a new perspective. - Helps to establish the new field of Condensed Matter Chemistry - Highlights the molecular engineering of functional condensed matter - Focuses on both liquid and solid state chemistry
This extensive and comprehensive collection of lectures by world-leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 2 offers surveys on numerical experiments carried out for a great number of systems, ranging from materials sciences to chemical biology, including supercooled liquids, spin glasses, colloids, polymers, liquid crystals, biological membranes and folding proteins.