The use of mathematical modeling in engineering allows for a significant reduction of material costs associated with design, production, and operation of technical objects, but it is important for an engineer to use the available computational approaches in modeling correctly. Taking into account the level of modern computer technology, this new volume explains how an engineer should properly define the physical and mathematical problem statement, choose the computational approach, and solve the problem by proven reliable computational approach using computer and software applications during the solution of a particular problem. This work is the result of years of the authors' research and experience in the fields of power and rocket engineering where they put into practice the methods of mathematical modeling shown in this valuable volume. The examples in the book are based on two approaches. The first approach involves the use of the relatively simple mathematical system MathCad. The second one involves the solving of problems using Intel Visual Fortran compiler with IMSL Libraries. The use of other software packages (Maple, MathLab, Mathematica) or compilers ( , ++, Visual Basic) for code is equally acceptable in the solution of the problems given in the book. Intended for professors and instructors, scientific researchers, students, and industry professionals, the book will help readers to choose the most appropriate mathematical modeling method to solve engineering problems, and the authors also include methods that allow for the solving of nonmathematical problems as mathematical problems.

This new volume presents leading-edge research in the rapidly changing and evolving field of chemical materials characterization and modification. The topics in the book reflect the diversity of research advances in physical chemistry and electrochemistry, focusing on the preparation, characterization, and applications of polymers and high-density materials. Also covered are various manufacturing techniques. Focusing on the most technologically important materials being utilized and developed by scientists and engineers, the book will help to fill the gap between theory and practice in industry. This comprehensive anthology covers many of the major themes of physical chemistry and electrochemistry, addressing many of the major issues, from concept to technology to implementation. It is an important reference publication that provides new research and updates on a variety of physical chemistry and electrochemistry uses through case studies and supporting technologies, and it also explains the conceptual thinking behind current uses and potential uses not yet implemented. International experts with countless years of experience lend this volume credibility.

This book explores a wide range of energy storage devices, such as a lithium ion battery, sodium ion battery, magnesium ion battery and supercapacitors. Providing a comprehensive review of the current field, it also discusses the history of these technologies and introduces next-generation rechargeable batteries and supercapacitors. This book will serve as a valuable reference for researchers working with energy storage technologies across the fields of physics, chemistry, and engineering. Features: Edited by established authorities in the field, with chapter contributions from subject area specialists Provides a comprehensive review of field Up to date with the latest developments and research

This book is an up-to-date review of the most important plasma-based techniques for material modification, from microelectronics to biological materials and from fusion plasmas to atmospheric ones. Each its technical chapters is written by long-experienced, internationally recognised researchers. The book provides a deep and comprehensive insight into plasma technology and its associated elemental processes and is illustrated throughout with excellent figures and references to complement each section. Although some of the topics covered can be traced back several decades, care has been taken to emphasize the most recent findings and expected evolution. The first time the word 'plasma' appeared in print in a scientific text related to the study of electrical discharges in gases was 1928, when Irving Langmuir published his article 'Oscillations in Ionized Gases'. It was the baptism of the predominant state of matter in the known universe (it is estimated that up to 99% of matter is plasma), although not on earth, where the conditions of pressure and temperature make normal the states of matter (solid, liquid, gas) which, in global terms, are exotic. It is enough to add energy to a solid (in the form of heat or electromagnetic radiation) to go into the liquid state, from which gas is obtained through an additional supply of energy. If we continue adding energy to the gas, we will partially or totally ionise it and reach a new state of matter, plasma, made up of free electrons, atoms and molecules (electrically neutral particles) and ions (endowed with a positive or a negative electric charge).

The primary purpose of this book is to prepare the ground for coordinated efforts aiming to answer the question: where and when life originated. The appearance of life involves three successive stages: i) the formation of chemical elements and their combination to simple molecules, which is the concern of physicists; ii) the evolution of organized complexity in biomolecules and their reactions, which falls within the field of chemistry; iii) the onset of Darwinian evolution after the appearance of the first cell-like structure, which is studied by biologists. This book focuses on the first two steps of this process with chapters exploring topics such as chemical element abundances; galaxies, galactic magnetic fields and cosmic rays; galactic chemical evolution. Key Features: Contains extensive lists of reference and additional reading. Includes new hypotheses concerning the origin of life. Combines consideration from nuclear physics, astrophysics, astro- and geochemistry. Despite its interdisciplinary nature, this book remains accessible to nonexperts, and would be a valuable companion for both experts and laypeople.

The unique properties of ferromagnetic resonance (FMR) in magnetodielectric solids are widely used to create highly efficient analog information processing devices in the microwave range. Such devices include filters, delay lines, phase shifters, non-reciprocal and non-linear devices, and others. This book examines magnetic resonance and ferromagnetic resonance under a wide variety of conditions to study physical properties of magnetodielectric materials. The authors explore the properties in various mediums that significantly complicate magnetic resonance and provide a summary of related advances obtained during the last two decades. It also covers the emergence of new branches of the spectrum and anomalous dependencies on the magnetic field. Key Features: Reviews basic principles of the science of crystallographic symmetry and anisotropic solid-state properties Addresses the inhomogeneous nature of the distribution of the magnetization in the material being studied Explains the mathematic methods used in the calculation of anisotropic solids of a solid Provides the reader with a path to substitute electromagnetic waves when magnetostatic apparatus prove insufficient

This book offers a comprehensive presentation of the concepts, properties, and applications of complex materials. Authors of each chapter use a fundamental approach to define the structure and properties of a wide range of solids on the basis of the local chemical bonding and atomic order present in the material. Emphasizing the physical and chemical origins of different material properties, this important volume focuses on the most technologically important materials being utilized and developed by scientists and engineers.

This is introductory book for researchers, scientists and students in the area of organic and inorganic composite materials. This book has addressed timely the innovative topic "chalcogenide-multiwalled carbon nanotubes and chalcogenide-bilayer graphene" composite materials under a glassy regime. This book will give a clear idea on the concepts of the newly established composite materials area, by providing interpretations of inside physio-chemical mechanism. The remarkable landmark innovations related to this newly introduced research field are included in this book. Additionally, the possible futuristic applications in the area of nanoelectronics, optoelectronics, biomedical etc are also addressed.

applications to the structure of atomic nuclei. The author systematically develops these models from the elementary level, through an introduction to tensor algebra, to the use of group theory in spectroscopy. The book's extensive and detailed appendix includes a large selection of useful formulae of tensor algebra and spectroscopy. The serious graduate student, as well as the professional physicist, will find this complete treatment of the shell model to be an invaluable addition to the literature.

This book summarizes the basic physics of graphite and newly discovered phenomena in this material. The book contains the knowledge needed to understand novel properties of functionalized graphite demonstrating the occurrence of remarkable phenomena in disordered graphite and graphite-based heterostructures. It also discusses applications of thin graphitic samples in future electronics. Graphite consists of a stack of nearly decoupled two-dimensional graphene planes. Because of the low dimensionality and the presence of Dirac fermions, much of graphite physics resembles that of graphene. On the other hand, the multi-layered nature of the graphite structure together with structural and/or chemical disorder are responsible for phenomena that are not observed yet in graphene, such as ferromagnetic order and superconductivity. Each chapter was written by one or more experts in the field whose contributions were relevant in the (re)discovery of (un)known phenomena in graphite. The book is intended as reference for beginners and experts in the field, introducing them to many aspects of the new physics of graphite, with a fresh overview of recently found phenomena and the theoretical frames to understand them.

This book covers a selection of recent research studies and new developments in physics and chemistry in micro and nanoscale materials. It brings together research contributions from eminent experts in the field from both academic and industry, providing the latest developments in advanced materials chemical domains.

Using fractal analysis, irreversible aggregation models, synergetics, and percolation theory, this book describes the main reactions of high-molecular substances. It is the first to give the structural and physical grounds of polymers synthesis and curing based on fractal analysis. It provides a single equation for describing the relationship between the reaction rate constants and the equilibrium constants with the nature of the medium.

Written by highly regarded experts in the field, this book covers many of the major themes of chemical and biochemical physics, addressing important issues, from concept to technology to implementation. It provides new research and updates on a variety of issues in physical chemistry and biochemical physics. Many chapters include case studies and supporting technologies and explain the conceptual thinking behind current uses and potential uses not yet implemented. By providing an applied and modern approach, this volume presents a wide-ranging view of current developments in applied methodologies in chemical and biochemical physics research.

A valuable learning tool for students and an indispensable resource for professional scientists and engineers

Several outstanding features make this book a superior introduction to modern statistical mechanics: It is the only intermediate-level text offering comprehensive coverage of both basic statistical mechanics and modern topics such as molecular dynamic methods, renormalization theory, chaos, polymer chain folding, oscillating chemical reactions, and cellular automata. It is also the only text written at this level to address both equilibrium and nonequilibrium statistical mechanics. Finally, students and professionals alike will appreciate such aids to comprehension as detailed derivations for most equations, more than 100 chapter-end exercises, and 15 computer programs written in FORTRAN that illustrate many of the concepts covered in the text.

Statistical Mechanics begins with a refresher course in the essentials of modern statistical mechanics which, on its own, can serve as a handy pocket guide to basic definitions and formulas. Part II is devoted to equilibrium statistical mechanics. Readers will find in-depth coverage of phase transitions, critical phenomena, liquids, molecular dynamics, Monte Carlo techniques, polymers, and more. Part III focuses on nonequilibrium statistical mechanics and progresses in a logical manner from near-equilibrium systems, for which linear responses can be used, to far-from-equilibrium systems requiring nonlinear differential equations.

In this book, new developments based on conceptual density functional theory (CDFT) and its applications in chemistry are discussed. It also includes discussion of some applications in corrosion and conductivity and synthesis studies based on CDFT. The electronic structure principles-such as the electronegativity equalization principle, the hardness equalization principle, the electrophilicity equalization principle, and the nucleophilicity equalization principle, along studies based on these electronic structure principles-are broadly explained. In recent years some novel methodologies have been developed in the field of CDFT. These methodologies have been used to explore mutual relationships between the descriptors of CDFT, namely electronegativity, hardness, etc. The mutual relationship between the electronegativity and the hardness depend on the electronic configuration of the neutral atomic species. The volume attempts to cover almost all such methodology. Conceptual Density Function Theory and Its Application in the Chemical Domain will be an appropriate guide for research students as well as the supervisors in PhD programs. It will also be valuable resource for inorganic chemists, physical chemists, and quantum chemists. The reviews, research articles, short communications, etc., covered by this book will be appreciated by theoreticians as well as experimentalists.

The authors examine topics in modern physics and offer a unitary and original treatment of the fundamental problems of the dynamics of physical systems, as well as a description of the nuclear matter within a framework of general relativity. They show that some physical phenomena studied at two different resolution scales (e.g. microscale, cosmological scale), apparently with no connection between them, become compatible by means of the operational procedures, acting either as some "hidden" symmetries, or harmonic-type mappings. The book is addressed to the students, researchers and university/high school teachers working in the fields of mathematics, physics, and chemistry.

This book describes the physical mechanism of high-frequency (radio-frequency) capacitive discharge (RFCD) of low and medium pressure and the properties of discharge plasma in detail. The main properties and characteristics of RFCD, the features of electric breakdown in a high-frequency field are also investigated. The properties of near-electrode layers of a spatial discharge, the nature of the electric field in them, and the processes of charge transport to electrodes are explored. The work is intended for scientists engaged in gas discharge physics and low-temperature plasmas, graduate students and students of physics, physical chemistry, and relevant specialties.

Electroinduced Drift of Neutral Charge Clusters in Salt Solutions presents studies of the processes accompanying the effect of periodic electric and magnetic fields on salt solutions in polar dielectric liquids. The authors explain phenomena from a physical point of view, without theoretical constructions and mathematical calculations. This is done in order to make the book accessible to a wide audience and to help the reader navigate in a multilateral topic that is touched upon when studying processes that occur in liquid media under the external influence of an electromagnetic nature. Additional Features: Explores the phenomenon of selective drift of solvated ions in polar dielectric liquids Applies general principles of electricity and magnetism to describe experimental results Demonstrates how small perturbations of the equilibrium distribution determine not the corrections to the effects but the effects themselves Approaches nonequilibrium molecular physics as a science of physical and chemical processes This book will be useful to specialists, engineers and graduate students, especially those recording and transmitting information in liquid media.

Small systems are a very active area of research and development due to improved instrumentation that allows for spatial resolution in the range of sizes from one to 100 nm. In this size range, many physical and chemical properties change, which opens up new approaches to the study of substances and their practical application. This affects both traditional fields of knowledge and many other new fields including physics, chemistry, biology, etc. This book highlights new developments in statistical thermodynamics that answer the most important questions about the specifics of small systems - when one cannot apply equations or traditional thermodynamic models.

The latest edition of the leading forum in chemical physics

Edited by Nobel Prize winner Ilya Prigogine and renowned authority Stuart A. Rice, the Advances in Chemical Physics series provides a forum for critical, authoritative evaluations in every area of the discipline. In a format that encourages the expression of individual points of view, experts in the field present comprehensive analyses of subjects of interest. This stand-alone, special topics volume reports recent advances in electron-transfer research, with significant, up-to-date chapters by internationally recognized researchers. Volume 123 collects innovative papers on "Transition Path Sampling," "Dynamics of Chemical Reactions and Chaos," "The Role of Self Similarity in Renormalization Group Theory," and several other related topics. Advances in Chemical Physics remains the premier venue for presentations of new findings in its field.

Since their development in the 1990s, it has been discovered that diluted nitrides have intriguing properties that are not only distinct from those of conventional semiconductor materials, but also are conducive to various applications in optoelectronics and photonics. The book examines these applications and presents a broad and in-depth look at the basic electronic and optical properties of diluted nitrides. The aim of Physics and Applications of Diluted Nitrides is to provide graduate students, researchers and engineers with a comprehensive overview of the present knowledge and future perspectives of diluted nitrides. Co-authored by a group of leading scientists in the field, this book brings the reader up to speed on the development and current state of diluted nitride applications, as well as the technologies to be developed in the near future.

Nuclear magnetic resonance (NMR) is widely used across many fields of science because of the rich data it produces, and some of the most valuable data come from studies of nuclear spin relaxation in solution. The first edition of this book, published more than a decade ago, provided an accessible and cohesive treatment of the field. The present second edition is a significant update, covering important new developments in recent years. Collecting relaxation theory, experimental techniques, and illustrative applications into a single volume, this book clarifies the nature of the phenomenon, shows how to study it and explains why such studies are worthwhile. Coverage ranges from basic to rigorous theory and from simple to sophisticated experimental methods. Topics include cross-relaxation, multispin phenomena, relaxation studies of molecular dynamics and structure and special topics such as relaxation in systems with quadrupolar nuclei, in paramagnetic systems and in long-living spin states. Avoiding overly demanding mathematics, the authors explain spin relaxation in a manner that anyone with a familiarity with NMR can follow. The focus is on illustrating and explaining the physical nature of relaxation phenomena. Nuclear Spin Relaxation in Liquids: Theory, Experiments and Applications, 2nd Edition, provides useful supplementary reading for graduate students and is a valuable reference for NMR spectroscopists, whether in chemistry, physics or biochemistry.

Remarkable developments in the spectroscopy field regarding ultrashort pulse generation have led to the possibility of producing light pulses ranging from 50 to5 fs and frequency tunable from the near infrared to the ultraviolet range. Such pulses enable us to follow the coupling of vibrational motion to the electronic transitions in molecules and solids in real time. Detailing these advanced developments, as well as the fundamental methods and tools of vibrational spectroscopy, Coherent Vibrational Dynamics providesresearchers and students with a uniquely comprehensive resource. With the contributions of pioneering scientists, this seminal volume - * Outlines the principles and tools used on time-domain vibrational spectroscopy and provides a general introduction to the subject of coherent phonons * Describes the modern methods for tunable ultrashort pulse generation from infrared to visible-UV * Reviews coherent vibrational dynamics in small molecules in liquids (hydrogen bonds), and in carbon based conjugated materials (polyenes, carotenoids, and semiconducting polymers) * Explores phonon dynamics in semiconductors (bulk and heterostructures) and in quasi-one-dimensional systems Supplemented with a great number of references, and covering fundamental as well advanced topics, this text provides a valuable reference for both graduate students and senior researchers investigating materials in physics, chemistry, and biology. It is also an excellent starting point for those who want to pursue research in the field of ultrafast optics and spectroscopy.

An In-Depth View of Hardware Issues, Programming Practices, and Implementation of Key Methods Exploring the challenges of parallel programming from the perspective of quantum chemists, Parallel Computing in Quantum Chemistry thoroughly covers topics relevant to designing and implementing parallel quantum chemistry programs. Focusing on good parallel program design and performance analysis, the first part of the book deals with parallel computer architectures and parallel computing concepts and terminology. The authors discuss trends in hardware, methods, and algorithms; parallel computer architectures and the overall system view of a parallel computer; message-passing; parallelization via multi-threading; measures for predicting and assessing the performance of parallel algorithms; and fundamental issues of designing and implementing parallel programs. The second part contains detailed discussions and performance analyses of parallel algorithms for a number of important and widely used quantum chemistry procedures and methods. The book presents schemes for the parallel computation of two-electron integrals, details the Hartree-Fock procedure, considers the parallel computation of second-order Moller-Plesset energies, and examines the difficulties of parallelizing local correlation methods. Through a solid assessment of parallel computing hardware issues, parallel programming practices, and implementation of key methods, this invaluable book enables readers to develop efficient quantum chemistry software capable of utilizing large-scale parallel computers.

Optical Spectroscopy of Lanthanides: Magnetic and Hyperfine Interactions represents the sixth and final book by the late Brian Wybourne, an accomplished pioneer in the spectroscopy of rare earth ions, and Lidia Smentek, a leading theoretical physicist in the field. The book provides a definitive and up-to-date theoretical description of spectroscopic properties of lanthanides doped in various materials. The book integrates computer-assisted calculations developed since Wybourne's classic publication on the topic. It contains useful Maple (TM) routines, discussions, and new aspects of the theory of f-electron systems. Establishing a unified basis for understanding state-of-the-art applications and techniques used in the field, the book reviews fundamentals based on Wybourne's graduate lectures, which include the theory of nuclei, the theory of angular momentum, Racah algebra, and effective tensor operators. It then describes magnetic and hyperfine interactions and their impact on the energy structure and transition amplitudes of the lanthanide ions. The text culminates with a relativistic description of f f electric and magnetic dipole transitions, covering sensitized luminescence and a new parametrization scheme of f-spectra. Optical Spectroscopy of Lanthanides enables scientists to construct accurate and reliable theoretical models to elucidate lanthanides and their properties. This text is ideal for exploring a range of lanthanide applications including electronic data storage, lasers, superconductors, medicine, nuclear engineering, and nanomaterials.