Nonlinear Dynamics Of Large Amplitude Molecular Vibrations

This book focuses on the main idea that highly-excited molecular vibration is a nonlinear, many-body and semiclassical system. Therefore, many ideas and techniques in nonlinear fields such as chaos, resonance, Lyapunov exponent, etc. can be incorporated into this study. Together with the Lie algebraic coset algorithm, readers are able to approach the topics in a simple arithmetic and realistic way in contrast to the traditional solving of Schrödinger equation.Covering the author's research in over two decades, these works bridge the gaps between molecular vibration and nonlinear sciences, many new characters are introduced for molecular highly-excited vibration from a fresh viewpoint of nonlinearity, especially, the chaos. Related works of the elementary ideas in this field can be found in the first three chapters for the readers to be familiar with, while the rest of the chapters offer concrete examples with flourishing ideas and results on system dynamics which are not known or neglected by the traditional wave function algorithm.

Nonlinearity and Chaos in Molecular Vibrations deals systematically with a Lie algebraic approach to the study of nonlinear properties of molecular highly excited vibrations. The fundamental concepts of nonlinear dynamics such as chaos, fractals, quasiperiodicity, resonance, and the Lyapunov exponent, and their roles in the study of molecular vibrations are presented.The 20 chapters cover the basic ideas, the concept of dynamical groups, the integrable two-mode SU(2) system, the unintegrable three-mode SU(3) system, the noncompact su(1,1) algebraic application, su(3) symmetry breaking and its application and the quantal effect of asymmetric molecular rotation. Emphasis is given to: resonance and chaos, the fractal structure of eigencoefficients, the C-H bend motion of acetylene, regular and chaotic motion of DCN, the existence of approximately conserved quantum numbers, one-electronic motion in multi-sites, the Lyapunov exponent, actions of periodic trajectories and quantization, the H function and its application in vibrational relaxation as well as the Dixon dip and its destruction and chaos in the transitional states. This approach bridges the gap between molecular vibrational spectroscopy and nonlinear dynamics.The book presents a framework of information that readers can use to build their knowledge, and is therefore highly recommended for all those working in or studying molecular physics, molecular spectroscopy, chemical physics and theoretical physics. * Discusses nonlinearity and chaotic phenomena in molecular vibrations* Approaches the complicated highly excited molecular vibration* Provides clear information for students and researchers looking to expand knowledge in this field

A case study in mechanical vibration introduces the subject of nonlinear dynamics and chaos.

This important book deals with vibrational mechanics — the new, intensively developing section of nonlinear dynamics and the theory of nonlinear oscillations. It offers a general approach to the study of the effect of vibration on nonlinear mechanical systems.The book presents the mathematical apparatus of vibrational mechanics which is used to describe such nonlinear effects as the disappearance and appearance under vibration of stable positions of equilibrium and motions (i.e. attractors), the change of the rheological properties of the media, self-synchronization, self-balancing, the vibrational maintenance or deceleration (retardation) of the rotation of unbalanced rotors, resonances in the motions of celestial bodies, vibrational displacement and shift, vibrational excitation of streams and the transportation of bodies in the fluid. The book considers the use of these effects in creating new vibrational machines, technologies, and also principally new materials (”dynamical materials”).Vibrational Mechanics contains many results published only in Russian and therefore unknown to the specialists in the West, and also a review of the new results obtained by researchers after the book was first published in Russia.

Many books on dynamics start with a discussion of systems with one or two degrees of freedom and then turn to the generalization to the case of many degrees of freedom. For linear systems, the concept of eigenfunctions provides a compact and elegant method for decomposing the dynamics of a high dimensional system into a series of independent single-degree-of-freedom dynamical systems. Yet, when the system has a very high dimension, the determination of the eigenfunctions may be a distinct challenge, and when the dynamical system is nonconservative and/or nonlinear, the whole notion of uncoupled eigenmodes requires nontrivial extensions of classical methods. These issues constitute the subject of this book.

Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.

Dynamical and vibratory systems are basically an application of mathematics and applied sciences to the solution of real world problems. Before being able to solve real world problems, it is necessary to carefully study dynamical and vibratory systems and solve all available problems in case of linear and nonlinear equations using analytical and numerical methods. It is of great importance to study nonlinearity in dynamics and vibration; because almost all applied processes act nonlinearly, and on the other hand, nonlinear analysis of complex systems is one of the most important and complicated tasks, especially in engineering and applied sciences problems. There are probably a handful of books on nonlinear dynamics and vibrations analysis. Some of these books are written at a fundamental level that may not meet ambitious engineering program requirements. Others are specialized in certain fields of oscillatory systems, including modeling and simulations. In this book, we attempt to strike a balance between theory and practice, fundamentals and advanced subjects, and generality and specialization. None of the books in this area have completely studied and analyzed nonlinear equation in dynamical and vibratory systems using the latest analytical and numerical methods, so that the user can solve the problems without the need of studying too many different references. Thereby in this book, by the use of the latest analytic, numeric laboratorial methods and using more than 300 references like books, papers and the researches done by the authors and by considering almost all possible processes and situation, new theories has been proposed to encounter applied problems in engineering and applied sciences. In this way, the user (bachelor’s, master’s and PhD students, university teachers and even in research centers in different fields of mechanical, civil, aerospace, electrical, chemical, applied mathematics, physics, and etc.) can encounter such systems confidently. In the different chapters of the book, not only are the linear and especially nonlinear problems with oscillatory form broadly discussed, but also applied examples are practically solved by the proposed methodology.

Synergetics is the quantitative study of multicomponent systems that exhibit nonlinear dynamics and cooperativity. This book specifically considers basic models of the nonlinear dynamics of molecular systems and discusses relevant applications in biological physics and the polymer sciences. Emphasis is placed on specific solutions to the dynamical equations that correspond to the coherent formation of spatial-temporal structures, such as solitons, kinks and breathers, in particular. The emergence of these patterns in molecular structures provides a variety of information on their structural properties and plays a significant part in energy transfer processes, topological defects, dislocations, and related structure transitions. Real media, in which solitons take the form of solitary waves, are also considered. In this context, the formation of nonlinear waves in a continuous medium described by nonlinear equations is associated with spontaneous breaking of the local symmetry of the homogeneous system, which produces a range of interesting phenomena. A particular feature of this text is its combination of analytic and computational strategies to tackle difficult nonlinear problems at the molecular level of matter.