Isotropy Subgroups Of The 230 Crystallographic Space Groups

Isotropy Subgroups Of The 230 Crystallographic Space Groups
Author: Dorian M Hatch
Publisher: World Scientific
Total Pages: 621
Release: 1989-01-01
Genre: Science
ISBN: 9814522392

This book gives a rather exhaustive list of isotropy subgroups of the 230 crystallographic space groups. The symmetry changes for the vast majority of observed phase transitions in crystalline solids can be found in the list. With each entry, information is given concerning both physical and abstract characteristics of the phase transitions.

Group Theory

Group Theory
Author: Mildred S. Dresselhaus
Publisher: Springer Science & Business Media
Total Pages: 576
Release: 2007-12-18
Genre: Science
ISBN: 3540328998

This concise, class-tested book was refined over the authors’ 30 years as instructors at MIT and the University Federal of Minas Gerais (UFMG) in Brazil. The approach centers on the conviction that teaching group theory along with applications helps students to learn, understand and use it for their own needs. Thus, the theoretical background is confined to introductory chapters. Subsequent chapters develop new theory alongside applications so that students can retain new concepts, build on concepts already learned, and see interrelations between topics. Essential problem sets between chapters aid retention of new material and consolidate material learned in previous chapters.

Data Mining in Crystallography

Data Mining in Crystallography
Author: D. W. M. Hofmann
Publisher: Springer Science & Business Media
Total Pages: 181
Release: 2009-11-26
Genre: Science
ISBN: 3642047580

Humans have been “manually” extracting patterns from data for centuries, but the increasing volume of data in modern times has called for more automatic approaches. Early methods of identifying patterns in data include Bayes’ theorem (1700s) and Regression analysis (1800s). The proliferation, ubiquity and incre- ing power of computer technology has increased data collection and storage. As data sets have grown in size and complexity, direct hands-on data analysis has - creasingly been augmented with indirect, automatic data processing. Data mining has been developed as the tool for extracting hidden patterns from data, by using computing power and applying new techniques and methodologies for knowledge discovery. This has been aided by other discoveries in computer science, such as Neural networks, Clustering, Genetic algorithms (1950s), Decision trees (1960s) and Support vector machines (1980s). Data mining commonlyinvolves four classes of tasks: • Classi cation: Arranges the data into prede ned groups. For example, an e-mail program might attempt to classify an e-mail as legitimate or spam. Common algorithmsinclude Nearest neighbor,Naive Bayes classi er and Neural network. • Clustering: Is like classi cation but the groups are not prede ned, so the algorithm will try to group similar items together. • Regression: Attempts to nd a function which models the data with the least error. A common method is to use Genetic Programming. • Association rule learning: Searches for relationships between variables. For example, a supermarket might gather data of what each customer buys.

Crystallography

Crystallography
Author: Celia Marcos
Publisher: Springer Nature
Total Pages: 527
Release: 2022-12-02
Genre: Science
ISBN: 3030967832

This textbook presents an extensive manual of crystallography, including geometric crystallography, crystallochemistry, and crystallophysics. Illustrated with a wealth of figures and diagrams, it offers a thorough introduction to crystals for undergraduate and graduate students interested in learning the essentials and advanced concepts of crystallography. The book begins with basic concepts such as the geometry, morphology and symmetry of lattices, allowing readers to approach the subject from a mathematical point of view, abstracting it from its material content. In turn, the second part focuses on crystallochemistry and explains the differences between ideal and real crystals, and between static and dynamic ones. The third part of the textbook concerns crystallophysics and addresses the electrical, magnetic, mechanical, elastic and optical properties of crystals, as well as the fundamental laws and methods of X-ray diffraction.

International Tables for Crystallography, Volume B

International Tables for Crystallography, Volume B
Author: Uri Shmueli
Publisher: Springer Science & Business Media
Total Pages: 704
Release: 2008-08-27
Genre: Science
ISBN: 9781402082054

International Tables for Crystallography are no longer available for purchase from Springer. For further information please contact Wiley Inc. (follow the link on the right hand side of this page). Volume B presents accounts of the numerous aspects of reciprocal space in crystallographic research. After an introductory chapter, Part 1 presents the reader with an account of structure-factor formalisms, an extensive treatment of the theory, algorithms and crystallographic applications of Fourier methods, and fundamental as well as advanced treatments of symmetry in reciprocal space. In Part 2, these general accounts are followed by detailed expositions of crystallographic statistics, the theory of direct methods, Patterson techniques, isomorphous replacement and anomalous scattering, and treatments of the role of electron microscopy and diffraction in crystal structure determination, including applications of direct methods to electron crystallography. Part 3 deals with applications of reciprocal space to molecular geometry and `best'-plane calculations, and contains a treatment of the principles of molecular graphics and modelling and their applications. A convergence-acceleration method of importance in the computation of approximate lattice sums is presented and the part concludes with a discussion of the Ewald method. Part 4 contains treatments of various diffuse-scattering phenomena arising from crystal dynamics, disorder and low dimensionality (liquid crystals), and an exposition of the underlying theories and/or experimental evidence. Polymer crystallography and reciprocal-space images of aperiodic crystals are also treated. Part 5 of the volume contains introductory treatments of the theory of the interaction of radiation with matter (dynamical theory) as applied to X-ray, electron and neutron diffraction techniques. The simplified trigonometric expressions for the structure factors in the 230 three-dimensional space groups, which appeared in Volume I of International Tables for X-ray Crystallography, are now given in Appendix 1.4.3 to Chapter 1.4 of this volume. Volume B is a vital addition to the library of scientists engaged in crystal structure determination, crystallographic computing, crystal physics and other fields of crystallographic research. Graduate students specializing in crystallography will find much material suitable for self-study and a rich source of references to the relevant literature.

International Tables for Crystallography, Mathematical, Physical and Chemical Tables

International Tables for Crystallography, Mathematical, Physical and Chemical Tables
Author: E. Prince
Publisher: John Wiley & Sons
Total Pages: 1043
Release: 2004-01-16
Genre: Science
ISBN: 0470710292

International Tables for Crystallography is the definitive resource and reference work for crystallography and structural science. Each of the volumes in the series contains articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials. Emphasis is given to symmetry, diffraction methods and techniques of crystal-structure determination, and the physical and chemical properties of crystals. The data are accompanied by discussions of theory, practical explanations and examples, all of which are useful for teaching. Volume C provides the mathematical, physical and chemical information needed for experimental studies in structural crystallography. This volume covers all aspects of experimental techniques, using all three principal radiation types (X-ray, electron and neutron), from the selection and mounting of crystals and production of radiation, through data collection and analysis, to interpretation of results. Each chapter is supported by a substantial collection of references, and the volume ends with a section on precautions against radiation injury. Eleven chapters have been revised, corrected or updated for the third edition of Volume C. More information on the series can be found at: http://it.iucr.org

Quantum Chemistry of Solids

Quantum Chemistry of Solids
Author: Robert A. Evarestov
Publisher: Springer Science & Business Media
Total Pages: 559
Release: 2007-08-16
Genre: Science
ISBN: 3540487484

This book delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of wave-function-based, density-based (DFT) and hybrid hamiltonians. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties.

The Physical Chemist's Toolbox

The Physical Chemist's Toolbox
Author: Robert M. Metzger
Publisher: John Wiley & Sons
Total Pages: 958
Release: 2012-04-30
Genre: Science
ISBN: 1118195574

The working tools of the physical sciences, expertly organized into one volume Covering the basic concepts and working tools in the physical sciences, this reference is a unique, indispensable guide for students and researchers in chemistry, physics, and related disciplines. Everyone from novices to experienced researchers can turn to this book to find the essential equations, theories, and working tools needed to conduct and interpret contemporary research. Expertly organized, the book. Summarizes the core theories common to chemistry and physics Introduces topics and techniques that lay the foundations of instrumentation Discusses basic as well as advanced instrumentation and experimental methods Guides readers from crystals to nanoparticles to single molecules Readers gain access to not only the core concepts of the physical sciences, but also the underlying mathematics. Among the topics addressed are mechanics, special relativity, electricity and magnetism, quantum chemistry, thermodynamics, electrochemistry, symmetry, solid state physics, and electronics. The book also addresses energy and electrical sources, detectors, and algorithms. Moreover, it presents state-of-the-technology instrumentation and techniques needed to conduct successful experiments. Each chapter includes problems and exercises ranging from easy to difficult to help readers master core concepts and put them into practice. References lead to more specialized texts so that readers can explore individual topics in greater depth. The Physical Chemist's Toolbox is recommended not only as a general reference, but also as a textbook for two-semester graduate courses in physical and analytical chemistry.

Crystal Structures

Crystal Structures
Author: Michael O'Keeffe
Publisher: Courier Dover Publications
Total Pages: 481
Release: 2020-04-15
Genre: Science
ISBN: 0486836541

This classic text is devoted to describing crystal structures, especially periodic structures, and their symmetries. Updated material prepared by author enhances presentation, which can serve as text or reference. 1996 edition.