Mineral Behaviour At Extreme Conditions

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

High pressure mineral physics is a field that has shaped our understanding of deep planetary interiors and revealed new material phenomena occurring at extreme conditions. Comprised of sixteen chapters written by well-established experts, this book covers recent advances in static and dynamic compression techniques and enhanced diagnostic capabilities, including synchrotron X-ray and neutron diffraction, spectroscopic measurements, in situ X-ray diffraction under dynamic loading, and multigrain crystallography at megabar pressures. Applications range from measuring equations of state, elasticity, and deformation of materials at high pressure, to high pressure synthesis, thermochemistry of high pressure phases, and new molecular compounds and superconductivity under extreme conditions. This book also introduces experimental geochemistry in the laser-heated diamond-anvil cell enabled by the focused ion beam technique for sample recovery and quantitative chemical analysis at submicron scale. Each chapter ends with an insightful perspective of future directions, making it an invaluable source for graduate students and researchers.

This book pioneers a novel approach to investigate the effects of pressure on fission tracks, a geological problem that has remained unsolved for 60 years. While conventional techniques to study fission tracks were limited in precision, this book overcomes such issues by using state-of-the-art synchrotron-based x-ray scattering; a technique initially developed for applications in material science and biomedical research. The book provides an overview of the theory and application of small angle x-ray scattering (SAXS) on cylindrical ion tracks, including in-situ SAXS on ion tracks with simultaneous increases in temperature and pressure. As such it demonstrates a degree of characterisation normally not achievable with in-situ techniques. Further, it compares SAXS with small angle neutron scattering (SANS). This book has led to a range of publications and attracted the interest of the geological and material science communities. Daniel Schauries has been awarded several prizes for this research, including the Graduate Student Award of the Materials Research Society.

Although ceramics have been known to mankind literally for millennia, research has never ceased. Apart from the classic uses as a bulk material in pottery, construction, and decoration, the latter half of the twentieth century saw an explosive growth of application fields, such as electrical and thermal insulators, wear-resistant bearings, surface coatings, lightweight armour, or aerospace materials. In addition to plain, hard solids, modern ceramics come in many new guises such as fabrics, ultrathin films, microstructures and hybrid composites. Built on the solid foundations laid down by the 20-volume series Materials Science and Technology, Ceramics Science and Technology picks out this exciting material class and illuminates it from all sides. Materials scientists, engineers, chemists, biochemists, physicists and medical researchers alike will find this work a treasure trove for a wide range of ceramics knowledge from theory and fundamentals to practical approaches and problem solutions.

Layered materials, because of their particular atomic arrangement, are commonly 2characterized by physical and chemical properties of great interest in numerous technological and environmental processes and applications, as better detailed in the body of this volume. Most of these properties play a significant role in Earth sciences, environmental sciences, technology, biotechnology, material sciences and many other scientific areas. The surface properties of layered materials control important interaction processes, such as coagulation, aggregation, sedimentation, filtration, catalysis and ionic transport in porous media. Layered minerals also control many aspects of Earths rheology, i.e. the movement of geological masses, at least as far down as the lower crust. Given this frameset, it should be no surprise that the extremely large field of investigation of these materials can, and in most of the cases must, be approached from several different viewpoints. However, providing full coverage of the immense literature devoted to all the topics above may be impractical, if not impossible. Nevertheless, providing our students, to whom this book is addressed, with fundamental knowledge on different disciplines and providing examples demonstrating the application of these foundations in their daily research, is feasible and certainly useful.

The editors have gathered in this book, reviews of past and current studies of mineral groups that have played important roles in geology, environmental science and health science. The various chapters cover the application of TEM and related techniques to: mineral groups in which TEM investigations have been extensive and crucial to the understanding of their mineralogy, namely pyriboles, serpentines, clays, micas and other metamorphic phyllosilicates, oxides and oxyhydroxides, sulfides and carbonates. Some research fields for which TEM is particularly suitable and which have produced significant advances, in particular, are inclusions and traces, extraterrestrial material, deformation processes, non-stoichiometry and superstructures, and biominerals. Nowadays, we are witnessing the push for the improvement of detectors for imaging (direct detection of electrons) and X-rays (silicon drift detectors and annular high solid-angle of collection detectors), the development of new support materials (e.g. graphene) and liquid cells for TEMs. Most of these new technologies have not yet been applied to mineralogical problems but we hope they will be in the near future.

The advancement of human civilization has been intimately associated with the exploitation of raw materials. In fact the distinction of the main historical eras is based on the type of raw materials used. Hence, passage from the Paleolithic and Neolithic Age to the Bronze Age is characterized by the introduction of basic metals mainly copper, zinc and tin in human activities; the Iron Age is marked by the use of iron as the predominant metal. The use of metals has increased and culminated with the industrial revolution in the mid-eighteenth century, which marked the onset of the industrial age in the western world. Since then the importance of metals has gradually been surpassed by industrial minerals in the industrialized countries. Industrial minerals are raw materials used by industry for their physical and/or chemical properties. Characterization of industrial minerals is important for their assessment and can be demanding and often complicated. This new volume, co-published by the European Mineralogical Union and the Mineralogical Society of Great Britain & Ireland, is based on papers presented at an EMU-Erasmus IP School which was held in the Technical University of Crete, Chania, Greece. The aim of the School was to describe advances in some of the analytical methods used to characterize industrial minerals and to propose additional methods which are currently not used for this purpose.