Download or read book Theoretical and Computational Methods in Mineral Physics written by Renata M. Wentzcovitch and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 71 of Reviews in Mineralogy and Geochemistry represents an extensive review of the material presented by the invited speakers at a short course on Theoretical and Computational Methods in Mineral Physics held prior (December 10-12, 2009) to the Annual fall meeting of the American Geophysical Union in San Francisco, California. The meeting was held at the Doubletree Hotel & Executive Meeting Center in Berkeley, California. Contents: Density functional theory of electronic structure: a short course for mineralogists and geophysicists The Minnesota density functionals and their applications to problems in mineralogy and geochemistry Density-functional perturbation theory for quasi-harmonic calculations Thermodynamic properties and phase relations in mantle minerals investigated by first principles quasiharmonic theory First principles quasiharmonic thermoelasticity of mantle minerals An overview of quantum Monte Carlo methods Quantum Monte Carlo studies of transition metal oxides Accurate and efficient calculations on strongly correlated minerals with the LDA+U method: review and perspectives Spin-state crossover of iron in lower-mantle minerals: results of DFT+U investigations Simulating diffusion Modeling dislocations and plasticity of deep earth materials Theoretical methods for calculating the lattice thermal conductivity of minerals Evolutionary crystal structure prediction as a method for the discovery of minerals and materials Multi-Mbar phase transitions in minerals Computer simulations on phase transitions in ice Iron at Earth’s core conditions from first principles calculations First-principles molecular dynamics simulations of silicate melts: structural and dynamical properties Lattice dynamics from force-fields as a technique for mineral physics An efficient cluster expansion method for binary solid solutions: application to the halite-silvite, NaCl-KCl, system Large scale simulations Thermodynamics of the Earth’s mantle

Download or read book Advances in the Theory of Quantum Systems in Chemistry and Physics written by Philip E. Hoggan and published by Springer Science & Business Media. This book was released on 2011-11-16 with total page 630 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in the Theory of Quantum Systems in Chemistry and Physics is a collection of 32 selected papers from the scientific contributions presented at the 15th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV), held at Magdalene College, Cambridge, UK, from August 31st to September 5th, 2010. This volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide range of problems in chemistry, physics, and biology. The breadth and depth of the scientific topics discussed during QSCP-XV are gathered in seven sections: I. Fundamental Theory; II. Model Atoms; III. Atoms and Molecules with Exponential-Type Orbitals; IV. Density-Oriented Methods; V. Dynamics and Quantum Monte-Carlo Methodology; VI. Structure and Reactivity; VII. Complex Systems, Solids, Biophysics. Advances in the Theory of Quantum Systems in Chemistry and Physics is written for research students and professionals in Quantum systems of chemistry and physics. It also constitutes and invaluable guide for those wishing to familiarize themselves with research perspectives in the domain of quantum systems for thematic conversion or simply to gain insight into the methodological developments and applications to physics chemistry and biology that have actually become feasible by the end of 2010.

Download or read book Applications of Calorimetry written by Jose Luis Rivera Armenta and published by BoD – Books on Demand. This book was released on 2022-06-23 with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt: Calorimetry is used to measure the transfer and exchange of heat. It is a technique that has applications in different research and industrial sectors. It can be applied in kinetic studies as well as to measure physical changes of first- and second-order transitions such as glass transition, melting, and crystallization. It can also be used to evaluate thermodynamic parameters. This book reports on calorimetry in three sections: “Applications in General”, “Calorimetry in Materials”, and “Calorimetry in Biotechnology”.

Download or read book Spectroscopic Methods in Mineralogy and Material Sciences written by Grant Henderson and published by Walter de Gruyter GmbH & Co KG. This book was released on 2014-11-21 with total page 818 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopic Methods in Mineralogy and Material Science covers significant advances in the technological aspects and applications of spectroscopic and microscopic techniques used in the Earth and Materials Sciences. The current volume compliments the now classic Volume 18, Spectroscopic Methods in Mineralogy and Geology, which became an essential resource to many scientists and educators for the past two decades. This volume updates techniques covered in Volume 18, and introduces new techniques available for probing the secrets of Earth materials, such as X-ray Raman and Brillouin spectroscopy. Other important topics including Transmission Electron Microscopy (TEM) and Atomic Force Microscopy (AFM) are also covered.

Download or read book Static and Dynamic High Pressure Mineral Physics written by Yingwei Fei and published by Cambridge University Press. This book was released on 2022-10-31 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive review of recent advances and new directions in high pressure mineral research using static and dynamic compression methods.

Download or read book Basis Sets in Computational Chemistry written by Eva Perlt and published by Springer Nature. This book was released on 2021-05-06 with total page 255 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. The different chapters introduce local orbitals and orbital localization as well as Slater-type orbitals and review basis sets for special applications, such as those for correlated methods, solid-state calculations, heavy atoms and time-dependent adaptable Gaussian bases for quantum dynamics simulations. This detailed review of the purpose of basis sets, their design, applications, possible problems and available solutions provides graduate students and beginning researchers with information not easily obtained from the available textbooks and offers valuable supporting material for any quantum chemistry or computational chemistry course at the graduate and/or undergraduate level. This book is also useful as a guide for researchers who are new to computational chemistry but are willing to extend their research tools by applying such methods.

Download or read book Materials Modelling using Density Functional Theory written by Feliciano Giustino and published by OUP Oxford. This book was released on 2014-05-15 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an introduction to the quantum theory of materials and first-principles computational materials modelling. It explains how to use density functional theory as a practical tool for calculating the properties of materials without using any empirical parameters. The structural, mechanical, optical, electrical, and magnetic properties of materials are described within a single unified conceptual framework, rooted in the Schrödinger equation of quantum mechanics, and powered by density functional theory. This book is intended for senior undergraduate and first-year graduate students in materials science, physics, chemistry, and engineering who are approaching for the first time the study of materials at the atomic scale. The inspiring principle of the book is borrowed from one of the slogans of the Perl programming language, 'Easy things should be easy and hard things should be possible'. Following this philosophy, emphasis is placed on the unifying concepts, and on the frequent use of simple heuristic arguments to build on one's own intuition. The presentation style is somewhat cross disciplinary; an attempt is made to seamlessly combine materials science, quantum mechanics, electrodynamics, and numerical analysis, without using a compartmentalized approach. Each chapter is accompanied by an extensive set of references to the original scientific literature and by exercises where all key steps and final results are indicated in order to facilitate learning. This book can be used either as a complement to the quantum theory of materials, or as a primer in modern techniques of computational materials modelling using density functional theory.

Download or read book An Introduction to High Pressure Science and Technology written by Jose Manuel Recio and published by CRC Press. This book was released on 2016-01-05 with total page 519 pages. Available in PDF, EPUB and Kindle. Book excerpt: An Introduction to High-Pressure Science and Technology provides you with an understanding of the connections between the different areas involved in the multidisciplinary science of high pressure. The book reflects the deep interdisciplinary nature of the field and its close relationship with industrial applications.Thirty-nine specialists in high

Download or read book Relocating the History of Science written by Theodore Arabatzis and published by Springer. This book was released on 2015-05-19 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is put together in honor of a distinguished historian of science, Kostas Gavroglu, whose work has won international acclaim, and has been pivotal in establishing the discipline of history of science in Greece, its consolidation in other countries of the European Periphery, and the constructive dialogue of these emerging communities with an extended community of international scholars. The papers in the volume reflect Gavroglu’s broad range of intellectual interests and touch upon significant themes in recent history and philosophy of science. They include topics in the history of modern physical sciences, science and technology in the European periphery, integrated history and philosophy of science, historiographical considerations, and intersections with the history of mathematics, technology and contemporary issues. They are authored by eminent scholars whose academic and personal trajectories crossed with Gavroglu’s. The book will interest historians and philosophers of science and technology alike, as well as science studies scholars, and generally readers interested in the role of the sciences in the past in various geographical contexts.

Download or read book Electronic Structure written by Richard M. Martin and published by Cambridge University Press. This book was released on 2020-08-27 with total page 791 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of electronic structure of materials is at a momentous stage, with new computational methods and advances in basic theory. Many properties of materials can be determined from the fundamental equations, and electronic structure theory is now an integral part of research in physics, chemistry, materials science and other fields. This book provides a unified exposition of the theory and methods, with emphasis on understanding each essential component. New in the second edition are recent advances in density functional theory, an introduction to Berry phases and topological insulators explained in terms of elementary band theory, and many new examples of applications. Graduate students and research scientists will find careful explanations with references to original papers, pertinent reviews, and accessible books. Each chapter includes a short list of the most relevant works and exercises that reveal salient points and challenge the reader.

Download or read book Mineralogy written by Miloš René and published by BoD – Books on Demand. This book was released on 2022-07-06 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mineralogy includes thirteen chapters that discuss the methodology of specific mineralogical methods, the composition of minerals from different igneous rocks, and the composition of minerals from different sedimentary rocks.It contains detailed mineralogical studies from Africa, Asia, and Europe. Chapters present different scientific mineralogical methods and detailed descriptions of minerals from different magmatic and sedimentary rocks.

Download or read book Geological Melts written by Daniel R. Neuville and published by Walter de Gruyter GmbH & Co KG. This book was released on 2022-07-04 with total page 1108 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 87 of Reviews in Mineralogy and Geochemistry covers fundamental aspects of the nature of silicate melts and the implications for the systems in which they participate, both technological and natural. The contents of this volume may perhaps best be summarized as structure – properties – dynamics. The volume contains syntheses of short and medium range order, structure-property relationships, and computation-based simulations of melt structure. It continues with analyses of the properties (mechanical, diffusive, thermochemical, redox, nucleation, rheological) of melts. The dynamic behavior of melts in magmatic and volcanic systems, is then treated in the context of their behavior in magma mixing, strain localization, frictional melting, magmatic fragmentation, and hot sintering. Finally, the non-magmatic, extraterrestrial and prehistoric roles of melt and glass are presented in their respective contexts.

Download or read book Ion Partitioning in Ambient Temperature Aqueous Systems written by H. Stoll and published by The Mineralogical Society of Great Britain and Ireland. This book was released on 2010-11-15 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding in detail the ion partitioning in mineralwater interactions is of fundamental importance to geochemical studies and ultimately to society. The solid-solution properties of minerals are a significant part of the complexity, and also the importance, of these ion-partitioning reactions.

Download or read book Petrochronology written by Matthew J. Kohn and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-03-27 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: Petrochronology is a rapidly emerging branch of Earth science that links time (ages or rates) with specific rock-forming processes and their physical conditions. It is founded in petrology and geochemistry, which define a petrogenetic context or delimit a specific process, to which chronometric data are then linked. This combination informs Earth’s petrogenetic processes better than petrology or geochronology alone. This volume and the accompanying short courses address three broad categories of inquiry. Conceptual approaches chapters include petrologic modeling of multi-component chemical and mineralogic systems, and development of methods that include diffusive alteration of mineral chemistry. Methods chapters address four main analytical techniques, specifically EPMA, LA-ICP-MS, SIMS and TIMS. Mineral-specific chapters explore applications to a wide range of minerals, including zircon (metamorphic, igneous, and detrital/Hadean), baddeleyite, REE minerals (monazite, allanite, xenotime and apatite), titanite, rutile, garnet, and major igneous minerals (olivine, plagioclase and pyroxenes). These applications mainly focus on metamorphic, igneous, or tectonic processes, but additionally elucidate fundamental transdisciplinary progress in addressing mechanisms of crystal growth, the chemical consequences of mineral growth kinetics, and how chemical transport and deformation affect chemically complex mineral composites. Most chapters further recommend areas of future research.

Download or read book The Encyclopedia of Volcanoes written by Haraldur Sigurdsson and published by Elsevier. This book was released on 2015-03-06 with total page 1447 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volcanoes are unquestionably one of the most spectacular and awe-inspiring features of the physical world. Our paradoxical fascination with them stems from their majestic beauty and powerful, sometimes deadly, destructiveness. Notwithstanding the tremendous advances in volcanology since ancient times, some of the mystery surrounding volcanic eruptions remains today. The Encyclopedia of Volcanoes summarizes our present knowledge of volcanoes; it provides a comprehensive source of information on the causes of volcanic eruptions and both the destructive and beneficial effects. The early chapters focus on the science of volcanism (melting of source rocks, ascent of magma, eruption processes, extraterrestrial volcanism, etc.). Later chapters discuss human interface with volcanoes, including the history of volcanology, geothermal energy resources, interaction with the oceans and atmosphere, health aspects of volcanism, mitigation of volcanic disasters, post-eruption ecology, and the impact of eruptions on organismal biodiversity. Provides the only comprehensive reference work to cover all aspects of volcanology Written by nearly 100 world experts in volcanology Explores an integrated transition from the physical process of eruptions through hazards and risk, to the social face of volcanism, with an emphasis on how volcanoes have influenced and shaped society Presents hundreds of color photographs, maps, charts and illustrations making this an aesthetically appealing reference Glossary of 3,000 key terms with definitions of all key vocabulary items in the field is included

Download or read book Treatise on Geophysics written by and published by Elsevier. This book was released on 2015-04-17 with total page 5604 pages. Available in PDF, EPUB and Kindle. Book excerpt: Treatise on Geophysics, Second Edition, is a comprehensive and in-depth study of the physics of the Earth beyond what any geophysics text has provided previously. Thoroughly revised and updated, it provides fundamental and state-of-the-art discussion of all aspects of geophysics. A highlight of the second edition is a new volume on Near Surface Geophysics that discusses the role of geophysics in the exploitation and conservation of natural resources and the assessment of degradation of natural systems by pollution. Additional features include new material in the Planets and Moon, Mantle Dynamics, Core Dynamics, Crustal and Lithosphere Dynamics, Evolution of the Earth, and Geodesy volumes. New material is also presented on the uses of Earth gravity measurements. This title is essential for professionals, researchers, professors, and advanced undergraduate and graduate students in the fields of Geophysics and Earth system science. Comprehensive and detailed coverage of all aspects of geophysics Fundamental and state-of-the-art discussions of all research topics Integration of topics into a coherent whole

Download or read book Magmas Under Pressure written by Yoshio Kono and published by Elsevier. This book was released on 2018-04-06 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt: Magmas under Pressure: Advances in High-Pressure Experiments on Structure and Properties of Melts summarizes recent advances in experimental technologies for studying magmas at high pressures. In the past decade, new developments in high-pressure experiments, particularly with synchrotron X-ray techniques, have advanced the study of magmas under pressure. These new experiments have revealed significant changes of structure and physical properties of magmas under pressure, which significantly improves our understanding of the behavior of magmas in the earth’s interior. This book is an important reference, not only in the earth and planetary sciences, but also in other scientific fields, such as physics, chemistry, material sciences, engineering and in industrial applications, such as glass formation and metallurgical processing. Includes research and examples of high-pressure technologies for studying the structure and properties of magma Summarizes the current knowledge on the structure and properties of high-pressure magma Highlights the importance of magma in understanding the evolution of the earth’s interior