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"Highlights in Mineralogical Crystallography" presents a collection of review articles with the common topic: structural properties of minerals and synthetic analogues. It is a valuable resource for mineralogists, materials scientists, crystallographers, and earth scientists. This book includes: An introduction to the RRUFF database for structural, spectroscopic, and chemical mineral identification. A systematic evaluation of structural complexity of minerals. ab initio computer modelling of mineral surfaces. Natural quasicrystals of meteoritic origin. The potential role of terrestrial ringwoodite on the water content of the Earth's mantle. Structural characterization of nanocrystalline bio-related minerals by electron-diffraction tomography. The uniqueness of mayenite-type compounds as minerals and high-tech ceramics.
The second edition of this classic book provides an updated look at crystal field theory and its applications.
This textbook describes the fundamental principles of structural phase transitions in materials in an easily understandable form, suitable for both undergraduate and graduate students.
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
Significant achievements have been made at the cross-roads of physics and planetary science. In the second half of the twentieth century, the discipline of planetary sciences has witnessed three major episodes which have revolutionized its approach and content: (i) the plate-tectonic theory, (ii) human landing and discoveries in planetary astronomy and (iii) the extraordinary technical advancement in high P-T studies, which have been abetted by a vast improvement in computational methods. Using these new computational methods, such as first principles including ab initio models, calculations have been made for the electronic structure, bonding, thermal EOS, elasticity, melting, thermal conductivity and diffusivity. In this monograph, the boundaries of the definitions of a petrologist, geochemist, geophysicist or a mineralogist have been willfully eliminated to bring them all under the spectrum of "high-pressure geochemistry" when they deal with any material (quintessentially a chemical assemblage) - terrestrial or extraterrestrial - under the conditions of high-pressure and temperature. Thus, a petrologist using a spectrometer or any instrument for high-pressure studies of a rock or a mineral, or a geochemist using them for chemical synthesis and characterization, is better categorized as a "high-pressure geochemist" rather than any other kind of disciplinarian.The contents of this monograph bring together, under one cover, apparently disparate disciplines like solid-earth geophysics and geochemistry as well as material science and condensed-matter physics to present a thorough overview of high pressure geochemistry. Indeed, such interdisciplinary activities led to the discovery of new phenomena such as high P-T behaviour in metal oxides (e.g. Mott transition), novel transitions such as amorphization, changes in order-disorder in crystals and the anomalous properties of oxide melts.
At the dawn of structural crystallography, Walther Friedrich, Paul Knipping and Max von Laue carried out the first experiments and developed the theory of X-ray diffraction. From the early days, when even the simpler inorganic structures filled an entire PhD study, structural crystallography evolved at its own pace and found new partners in chemistry, physics, materials science, biology and other fields of physical sciences. Both morphological and structural crystallography, however, have remained as important instruments in the mineralogist's toolbox until today. Efforts to enhance the existing instrumentation, to improve our understanding of the theory of diffraction, to study nanoparticulate or poorly ordered materials, and to master large, complex structures continue in all fields of physical sciences. Mineralogy can thus use the fruits of this labour and include them in its toolbox.
This Special Issue contains original scientific papers in the field of mineral physics (and also rock physics). These papers are grouped into four categories: Reviews, Experimental Science, Theoretical Science and Technological Developments. These papers include those from first authors covering 5 generations of mineral physicists, including contemporaries of Orson [e.g., William Bassett, Frank Stacey], the next generation of leaders in mineral physics throughout the world [e.g., Michael Brown, Eiji Ohtani], current leaders in this field [e.g., Agnes Dewaele, Jun Tsuchiya], senior graduate students [e.g., Jan Borgomano, Vasilije Dobrosavlijevic, Francesca Miozzi], and an undergraduate student [e.g., Tyler Perez]. Mineral physics is the study of mineralogical problems through the application of condensed matter physics. In reality, mineral physicists use not only physics, but also solid-state chemistry; they study not only minerals, but all materials related to natural minerals (e.g., structural analogs, but also glasses, melts and fluids). Mineral and rock physics is intimately connected to many other geoscience disciplines including seismology, planetary science, petrology, geochemistry, geomagnetism, and geodynamics, and even materials and climate science. This book is dedicated to Orson Anderson who died in June 2019 at the age of 94.
The subject of mineralogy is moving away from the traditional systematic treatment of mineral groups toward the study of the behaviour of minerals in relation to geological processes. A knowledge of how minerals respond to a changing geological environment is fundamental to our understanding of many dynamic earth processes. By adopting a materials science approach, An Introduction to Mineral Sciences explains the principles underlying the modern study of minerals, discussing the behaviour of crystalline materials with changes in temperature, pressure and chemical environment. The concepts required to understand mineral behaviour are often complex, but are presented here in simple, non-mathematical terms for undergraduate mineralogy students. After introductory chapters describing the principles of diffraction, imaging and the spectroscopic methods used to study minerals, the structure and behaviour of the main groups of rock-forming minerals are covered, and the role of defects in the deformation and transformation of a mineral are explained. The energy changes and the rate of transformation processes are introduced using a descriptive approach rather than attempting a complete and rigorous treatment of the thermodynamics and kinetics. Examples and case histories from a range of mineral groups are set in an earth science context, such that the emphasis of this book is to allow the student to develop an intuitive understanding of the structural principles controlling the behaviour of minerals.
A comprehensive review of recent advances and new directions in high pressure mineral research using static and dynamic compression methods.