Crystallographic Statistics in Chemical Physics PDF Download

Author: Fedor Valach
Publisher: Springer Science & Business Media
ISBN: 3662015994
Category : Science
Languages : en
Pages : 194

View

Book Description
This book introduces the concept of crystallographic non- rigidity and asymmetry of the transition elements as central atoms organometallic compounds. This intrinsic behavior of central atoms in condensed matter is quantified by applying statistical approach. Averaging of extrinsic factors in crystal structures is tested by using variance analysis. Introductionof the above mentioned concept and applications of variance analysis as an approximation for considering factors influencing properties of central atomin the crystal is original and new.

Author: Lillian Hoddeson
Publisher: Oxford University Press, USA
ISBN: 019505329X
Category : Solid state physics
Languages : en
Pages : 722

View

Book Description
Focuses on the field of solid-state physics - also referred to as condensed matter physics - which grew to maturity between 1920 and 1960. The history of some exciting developments is told here in an easy-to-follow text, accessible to general readers, while maintaining standards of high scholarship.

Author: Yukio Saito
Publisher: World Scientific
ISBN: 9810228341
Category : Science
Languages : en
Pages : 191

View

Book Description
This book gives a systematic overview on the scientific fundamentals of crystal growth from the classical phenomenological description to the recent theoretical contributions of statistical physics such as studies on surface roughening and on the pattern formation in the diffusion-limited growth.The book emphasizes physical concepts as well as mathematical details, and is intended to serve as lecture notes for postgraduate courses.

Author: John H. Moore
Publisher: CRC Press
ISBN: 1003803288
Category : Science
Languages : en
Pages : 986

View

Book Description
The Encyclopedia of Physical Chemistry and Chemical Physics introduces possibly unfamiliar areas, explains important experimental and computational techniques, and describes modern endeavors. The encyclopedia quickly provides the basics, defines the scope of each subdiscipline, and indicates where to go for a more complete and detailed explanation. Particular attention has been paid to symbols and abbreviations to make this a user-friendly encyclopedia. Care has been taken to ensure that the reading level is suitable for the trained chemist or physicist. The encyclopedia is divided in three major sections: FUNDAMENTALS: the mechanics of atoms and molecules and their interactions, the macroscopic and statistical description of systems at equilibrium, and the basic ways of treating reacting systems. The contributions in this section assume a somewhat less sophisticated audience than the two subsequent sections. At least a portion of each article inevitably covers material that might also be found in a modern, undergraduate physical chemistry text. METHODS: the instrumentation and fundamental theory employed in the major spectroscopic techniques, the experimental means for characterizing materials, the instrumentation and basic theory employed in the study of chemical kinetics, and the computational techniques used to predict the static and dynamic properties of materials. APPLICATIONS: specific topics of current interest and intensive research. For the practicing physicist or chemist, this encyclopedia is the place to start when confronted with a new problem or when the techniques of an unfamiliar area might be exploited. For a graduate student in chemistry or physics, the encyclopedia gives a synopsis of the basics and an overview of the range of activities in which physical principles are applied to chemical problems. It will lead any of these groups to the salient points of a new field as rapidly as possible and gives pointers as to where to read about the topic in more detail.

Author: Giovanni Battimelli
Publisher: Springer Nature
ISBN: 3030393992
Category : Science
Languages : en
Pages : 214

View

Book Description
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.

Author: Olexandr Isayev
Publisher: John Wiley & Sons
ISBN: 3527341218
Category : Technology & Engineering
Languages : en
Pages : 304

View

Book Description
Provides everything readers need to know for applying the power of informatics to materials science There is a tremendous interest in materials informatics and application of data mining to materials science. This book is a one-stop guide to the latest advances in these emerging fields. Bridging the gap between materials science and informatics, it introduces readers to up-to-date data mining and machine learning methods. It also provides an overview of state-of-the-art software and tools. Case studies illustrate the power of materials informatics in guiding the experimental discovery of new materials. Materials Informatics: Methods, Tools and Applications is presented in two parts?Methodological Aspects of Materials Informatics and Practical Aspects and Applications. The first part focuses on developments in software, databases, and high-throughput computational activities. Chapter topics include open quantum materials databases; the ICSD database; open crystallography databases; and more. The second addresses the latest developments in data mining and machine learning for materials science. Its chapters cover genetic algorithms and crystal structure prediction; MQSPR modeling in materials informatics; prediction of materials properties; amongst others. -Bridges the gap between materials science and informatics -Covers all the known methodologies and applications of materials informatics -Presents case studies that illustrate the power of materials informatics in guiding the experimental quest for new materials -Examines the state-of-the-art software and tools being used today Materials Informatics: Methods, Tools and Applications is a must-have resource for materials scientists, chemists, and engineers interested in the methods of materials informatics.

Author: William M. Haynes
Publisher: CRC Press
ISBN: 1482260972
Category : Science
Languages : en
Pages : 2652

View

Book Description
Proudly serving the scientific community for over a century, this 96th edition of the CRC Handbook of Chemistry and Physics is an update of a classic reference, mirroring the growth and direction of science. This venerable work continues to be the most accessed and respected scientific reference in the world. An authoritative resource consisting of tables of data and current international recommendations on nomenclature, symbols, and units, its usefulness spans not only the physical sciences but also related areas of biology, geology, and environmental science. The 96th edition of the Handbook includes 18 new or updated tables along with other updates and expansions. A new series highlighting the achievements of some of the major historical figures in chemistry and physics was initiated with the 94th edition. This series is continued with this edition, which is focused on Lord Kelvin, Michael Faraday, John Dalton, and Robert Boyle. This series, which provides biographical information, a list of major achievements, and notable quotations attributed to each of the renowned chemists and physicists, will be continued in succeeding editions. Each edition will feature two chemists and two physicists. The 96th edition now includes a complimentary eBook with purchase of the print version. This reference puts physical property data and mathematical formulas used in labs and classrooms every day within easy reach. New Tables: Section 1: Basic Constants, Units, and Conversion Factors Descriptive Terms for Solubility Section 8: Analytical Chemistry Stationary Phases for Porous Layer Open Tubular Columns Coolants for Cryotrapping Instability of HPLC Solvents Chlorine-Bromine Combination Isotope Intensities Section 16: Health and Safety Information Materials Compatible with and Resistant to 72 Percent Perchloric Acid Relative Dose Ranges from Ionizing Radiation Updated and Expanded Tables Section 6: Fluid Properties Sublimation Pressure of Solids Vapor Pressure of Fluids at Temperatures Below 300 K Section 7: Biochemistry Structure and Functions of Some Common Drugs Section 9: Molecular Structure and Spectroscopy Bond Dissociation Energies Section 11: Nuclear and Particle Physics Summary Tables of Particle Properties Table of the Isotopes Section 14: Geophysics, Astronomy, and Acoustics Major World Earthquakes Atmospheric Concentration of Carbon Dioxide, 1958-2014 Global Temperature Trend, 1880-2014 Section 15: Practical Laboratory Data Dependence of Boiling Point on Pressure Section 16: Health and Safety Information Threshold Limits for Airborne Contaminants

Author: William M. Haynes
Publisher: CRC Press
ISBN: 1498754295
Category : Science
Languages : en
Pages : 2643

View

Book Description
Proudly serving the scientific community for over a century, this 97th edition of the CRC Handbook of Chemistry and Physics is an update of a classic reference, mirroring the growth and direction of science. This venerable work continues to be the most accessed and respected scientific reference in the world. An authoritative resource consisting of tables of data and current international recommendations on nomenclature, symbols, and units, its usefulness spans not only the physical sciences but also related areas of biology, geology, and environmental science. The 97th edition of the Handbook includes 20 new or updated tables along with other updates and expansions. It is now also available as an eBook. This reference puts physical property data and mathematical formulas used in labs and classrooms every day within easy reach.

Author: David A. Lavis
Publisher: Springer
ISBN: 9401794308
Category : Science
Languages : en
Pages : 801

View

Book Description
Most interesting and difficult problems in equilibrium statistical mechanics concern models which exhibit phase transitions. For graduate students and more experienced researchers this book provides an invaluable reference source of approximate and exact solutions for a comprehensive range of such models. Part I contains background material on classical thermodynamics and statistical mechanics, together with a classification and survey of lattice models. The geometry of phase transitions is described and scaling theory is used to introduce critical exponents and scaling laws. An introduction is given to finite-size scaling, conformal invariance and Schramm—Loewner evolution. Part II contains accounts of classical mean-field methods. The parallels between Landau expansions and catastrophe theory are discussed and Ginzburg--Landau theory is introduced. The extension of mean-field theory to higher-orders is explored using the Kikuchi--Hijmans--De Boer hierarchy of approximations. In Part III the use of algebraic, transformation and decoration methods to obtain exact system information is considered. This is followed by an account of the use of transfer matrices for the location of incipient phase transitions in one-dimensionally infinite models and for exact solutions for two-dimensionally infinite systems. The latter is applied to a general analysis of eight-vertex models yielding as special cases the two-dimensional Ising model and the six-vertex model. The treatment of exact results ends with a discussion of dimer models. In Part IV series methods and real-space renormalization group transformations are discussed. The use of the De Neef—Enting finite-lattice method is described in detail and applied to the derivation of series for a number of model systems, in particular for the Potts model. The use of Pad\'e, differential and algebraic approximants to locate and analyze second- and first-order transitions is described. The realization of the ideas of scaling theory by the renormalization group is presented together with treatments of various approximation schemes including phenomenological renormalization. Part V of the book contains a collection of mathematical appendices intended to minimise the need to refer to other mathematical sources.

Author: M. F. C. Ladd
Publisher: Springer Science & Business Media
ISBN: 1461579333
Category : Science
Languages : en
Pages : 404

View

Book Description
Crystallography may be described as the science of the structure of materi als, using this word in its widest sense, and its ramifications are apparent over a broad front of current scientific endeavor. It is not surprising, therefore, to find that most universities offer some aspects of crystallography in their undergraduate courses in the physical sciences. It is the principal aim of this book to present an introduction to structure determination by X-ray crystal lography that is appropriate mainly to both final-year undergraduate studies in crystallography, chemistry, and chemical physics, and introductory post graduate work in this area of crystallography. We believe that the book will be of interest in other disciplines, such as physics, metallurgy, biochemistry, and geology, where crystallography has an important part to play. In the space of one book, it is not possible either to cover all aspects of crystallography or to treat all the subject matter completely rigorously. In particular, certain mathematical results are assumed in order that their applications may be discussed. At the end of each chapter, a short bibliog raphy is given, which may be used to extend the scope of the treatment given here. In addition, reference is made in the text to specific sources of information. We have chosen not to discuss experimental methods extensively, as we consider that this aspect of crystallography is best learned through practical experience, but an attempt has been made to simulate the interpretive side of experimental crystallography in both examples and exercises.