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This volume contains the proceedings of a NATO Advanced Study Institute which was held in Alghero, Sardinia, in July 1991. The development of computers in the recent years has lead to the emergence of unconventional ideas aiming at solving old problems. Among these, the possibility of computing directly fluid flows from the trajectories of constituent particles has been much exploited in the last few years: lattice gases cellular automata and more generally Molecular Dynamics have been used to reproduce and study complex flows. Whether or not these methods may someday compete with more traditional approaches is a question which cannot be answered at the present time: it will depend on the new computer architectures as well as on the possibility to develop very simple models to reproduce the most complex phenomena taking place in the approach of fully developed turbulence or plastic flows. In any event, these molecular methods are already used, and sometimes in an applied engineering context, to study strong shock waves, chemistry induced shocks or motion of dislocations in plastic flows, that is in domains where a fully continuum description appears insufficient. The main topic of our Institute was the molecular simulations of fluid flows. The project to hold this Institute was made three years ago, in the summer of 1989 during a NATO workshop in Brussels on the same subject.
This volume contains the proceedings of a workshop which was held in Brussels during the month of August 1989. A strong motivation for organizing this workshop was to bring together people who have been involved in the microscopic simulation of phenomena occuring on "large" space and time scales. Indeed, results obtained in the last years by different groups tend to support the idea that macroscopic behavior already appears in systems small enough so as to be modelled by a collection of interacting particles on a (super) computer. Such an approach is certainly desirable to study situations where no satisfactory phenomenological theory is known to hold, or where solutions of the equations are too hard to obtain numerically. It is also interesting from a more fundamental point of view, namely the investigation of the limits of validity of the macroscopic description itself. The main technique used in bridging the gap between the macro and micro worlds has been the molecular dynamics simulations, that is the numerical solution of the equations of motion of the model particles which constitute the system under study, a gas, a liquid or even a solid. However, this technique is by no means the only one.
The field of single charge tunneling comprises of phenomena where the tunneling of a microscopic charge, usually carried by an electron or a Cooper pair, leads to macro scopically observable effects. The first conference entirely devoted to this new field was the NATO Advanced Study Institute on Single Charge Tunneling held in Les Hauches, France, March 5-15, 1991. This book contains a series of tutorial articles based on lectures presented at the meeting. It was intended to provide both an introduction for nonexperts and a valuable reference summarizing the state of the art of single charge tun neling. A complementary publication with contributions by participants of the NATO Advanced Study Institute is the Special Issue on Single Charge Tunneling of Zeitschrift für Physik B, Vol. 85, pp. 317-468 (1991 ). That issue with original papers provides a snapshot af the leading edge of current research in the field. The success of the meeting and the publicatian of this volume was made possible through the generaus support af the NATO Scientific A:ffairs Division, Brussels, Belgium. The Centre de Physique des Hauches has provided a superbly situated conference site and took care af many lacal arrangements. Both far the preparation of the conference and the handling af some manuscripts the suppart af the Centre d 'Etudes de Saclay was essential. The editing of the proceedings volume would not have been passible without the dedicated efforts of Dr. G. -1. Ingald, who tailared a 1\.
Cluster Ion-Solid Interactions: Theory, Simulation, and Experiment provides an overview of various concepts in cluster physics and related topics in physics, including the fundamentals and tools underlying novel cluster ion beam technology. The material is based on the author's highly regarded courses at Kyoto University, Purdue University, the Mos
An accessible and multidisciplinaryintroduction to cellular automata As the applicability of cellular automata broadens and technology advances, there is a need for a concise, yet thorough, resource that lays the foundation of key cellularautomata rules and applications. In recent years, Stephen Wolfram's A New Kind of Science has brought the modeling power that lies in cellular automata to the attentionof the scientific world, and now, Cellular Automata: A Discrete View of the World presents all the depth, analysis, and applicability of the classic Wolfram text in a straightforward, introductory manner. This book offers an introduction to cellular automata as a constructive method for modeling complex systems where patterns of self-organization arising from simple rules are revealed in phenomena that exist across a wide array of subject areas, including mathematics, physics, economics, and the social sciences. The book begins with a preliminary introduction to cellular automata, including a brief history of the topic along with coverage of sub-topics such as randomness, dimension, information, entropy, and fractals. The author then provides a complete discussion of dynamical systems and chaos due to their close connection with cellular automata and includes chapters that focus exclusively on one- and two-dimensional cellular automata. The next and most fascinating area of discussion is the application of these types of cellular automata in order to understand the complex behavior that occurs in natural phenomena. Finally, the continually evolving topic of complexity is discussed with a focus on how to properly define, identify, and marvel at its manifestations in various environments. The author's focus on the most important principles of cellular automata, combined with his ability to present complex material in an easy-to-follow style, makes this book a very approachable and inclusive source for understanding the concepts and applications of cellular automata. The highly visual nature of the subject is accented with over 200 illustrations, including an eight-page color insert, which provide vivid representations of the cellular automata under discussion. Readers also have the opportunity to follow and understand the models depicted throughout the text and create their own cellular automata using Java applets and simple computer code, which are available via the book's FTP site. This book serves as a valuable resource for undergraduate and graduate students in the physical, biological, and social sciences and may also be of interest to any reader with a scientific or basic mathematical background.
This book provides a vivid account of the early history of molecular simulation, a new frontier for our understanding of matter that was opened when the demands of theoretical physicists were met by the availability of the modern computers. Since their inception, electronic computers have enormously increased their performance, thus making possible the unprecedented technological revolution that characterizes our present times. This obvious technological advancement has brought with it a silent scientific revolution in the practice of theoretical physics. In particular, in the physics of matter it has opened up a direct route from the microscopic physical laws to observable phenomena. One can now study the time evolution of systems composed of millions of molecules, and simulate the behaviour of macroscopic materials and actually predict their properties. Molecular simulation has provided a new theoretical and conceptual tool that physicists could only dream of when the foundations of statistical mechanics were laid. Molecular simulation has undergone impressive development, both in the size of the scientific community involved and in the range and scope of its applications. It has become the ubiquitous workhorse for investigating the nature of complex condensed matter systems in physics, chemistry, materials and the life sciences. Yet these developments remain largely unknown outside the inner circles of practitioners, and they have so far never been described for a wider public. The main objective of this book is therefore to offer a reasonably comprehensive reconstruction of the early history of molecular simulation addressed to an audience of both scientists and interested non-scientists, describing the scientific and personal trajectories of the main protagonists and discussing the deep conceptual innovations that their work produced.
Computer simulations provide an essential set of tools for understanding the macroscopic properties of liquid crystals and of their phase transitions in terms of molecular models. While simulations of liquid crystals are based on the same general Monte Carlo and molecular dynamics techniques as are used for other fluids, they present a number of specific problems and peculiarities connected to the intrinsic properties of these mesophases. The field of computer simulations of anisotropic fluids is interdisciplinary and is evolving very rapidly. The present volume covers a variety of techniques and model systems, from lattices to hard particle and Gay-Berne to atomistic, for thermotropics, lyotropics, and some biologically interesting liquid crystals. Contributions are written by an excellent panel of international lecturers and provides a timely account of the techniques and problems in the field.
Most industrial and natural materials exhibit a macroscopic behaviour which results from the existence of microscale inhomogeneities. The influence of such inhomogeneities is commonly modelled using probabilistic methods. Most of the approaches to the evaluation of the safety of structures according to probabilistic criteria are somewhat scattered, however, and it is time to present such material in a coherent and up-to-date form. Probabilities and Materials undertakes this task, and also defines the great tasks that must be tackled in coming years. For engineers and researchers dealing with materials, geotechnics, solid mechanics, soil mechanics, statistics and stochastic processes. The expository nature of the book means that no prior knowledge of statistics or probability is required of the reader. The book can thus serve as an excellent introduction to the nature of applied statistics and stochastic modelling.
Charge transport through the transfer of protons between molecules has long been recognized as a fundamental process, which plays an important role in many chemical reactions. In particular, proton transfer through Hydrogen (H-) bonds has been identified as the main mechanism, via which many bio logical functions are performed and many properties of such basic substances as proteins and ice can be understood. In this volume, several of these important aspects of the H-bond are rep resented. As the division in different sections already indicates, present day research in proton teansfer in biochemistry, biology, and the physics of water and ice remains highly active and very exciting. Nearly a decade ago, a novel approach to the study of collective proton motion in H-bonded systems was proposed, in which this phenomenon was explained by the propagation of certain coherent structures called solitons. In the years that followed, the approach ofsoliton dynamics was further extended and developed by many researchers around the world, into a legitimate and useful method for the analysis of proton transfer in H-bonded systems. Dr. Stephanos Pnevmatikos, the original Director of this ARW, was one of the pioneers in the application ofsoliton ideas to the study ofcharge transport through H-bonds. Having used similar concepts himself in his research on 2D lattices) he was convinced energy transfer through molecular chains (and that solitons can play an important role in enhancing our understanding of protonic conductivity.