Theoretical computational methods of mineral physics are powerful tools with which to investigate the materials of the Earth's deep interior. Here I use both quantum mechanical and themodynamical models to study the phase transformations of mantle minerals, discussing the implications of my results for high-pressure, high-temperature experimental research, modeling of thermodynamic processes under geological conditions, and plate tectonics.
This volume in Advances in Physical Geochemistry presents the latest synthesis of theory and experimental data pertaining to structural and magnetic phase transitions in a variety of geochemically important minerals. The book is the first to cover the impact of this rapidly progressing area of solid state physics in earth sciences and reflects its growing significance for mineralogy and petrology.
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
Treatise on Geophysics: Mineral Physics, Volume 2, provides a comprehensive review of the current state of understanding of mineral physics. Each chapter demonstrates the significant progress that has been made in the understanding of the physics and chemistry of minerals, and also highlights a number of issues which are still outstanding or that need further work to resolve current contradictions. The book first reviews the current status of our understanding of the nature of the deep Earth. These include the seismic properties of rocks and minerals; problems of the lower mantle and the core-mantle boundary; and the state of knowledge on mantle chemistry and the nature and evolution of the core. The discussions then turn to the theory underlying high-pressure, high-temperature physics, and the major experimental methods being developed to probe this parameter space. The remaining chapters explain the specific techniques for measuring elastic and acoustic properties, electronic and magnetic properties, and rheological properties; the nature and origin of anisotropy in the Earth; the properties of melt; and the magnetic and electrical properties of mantle phases. Self-contained volume starts with an overview of the subject then explores each topic with in depth detail Extensive reference lists and cross references with other volumes to facilitate further research Full-color figures and tables support the text and aid in understanding Content suited for both the expert and non-expert
A multidisciplinary perspective on the dynamic processes occurring in Earth's mantle The convective motion of material in Earth's mantle, powered by heat from the deep interior of our planet, drives plate tectonics at the surface, generating earthquakes and volcanic activity. It shapes our familiar surface landscapes, and also stabilizes the oceans and atmosphere on geologic timescales. Mantle Convection and Surface Expressions brings together perspectives from observational geophysics, numerical modelling, geochemistry, and mineral physics to build a holistic picture of the deep Earth. It explores the dynamic processes occurring in the mantle as well as the associated heat and material cycles. Volume highlights include: Perspectives from different scientific disciplines with an emphasis on exploring synergies Current state of the mantle, its physical properties, compositional structure, and dynamic evolution Transport of heat and material through the mantle as constrained by geophysical observations, geochemical data and geodynamic model predictions Surface expressions of mantle dynamics and its control on planetary evolution and habitability The American Geophysical Union promotes discovery in Earth and space science for the benefit of humanity. Its publications disseminate scientific knowledge and provide resources for researchers, students, and professionals.
Published by the American Geophysical Union as part of the Geophysical Monograph Series, Volume 174. Discovery of the perovskite to post-perovskite phase transition in MgSiO3, expected to occur for deep mantle conditions, was first announced in April 2004. This immediately stimulated numerous studies in experimental and theoretical mineral physics, seismology, and geodynamics evaluating the implications of a major lower mantle phase change. A resulting revolution in our understanding of the D′′ region in the lowermost mantle is well underway. This monograph presents the multidisciplinary advances to date ensuing from interpreting deep mantle seismological structures and dynamical processes in the context of the experimentally and theoretically determined properties of the post-perovskite phase change; the last silicate phase change likely to occur with increasing pressure in lowermost mantle rocks.
Planets and Moons covers topics relating to the physics of the major planetary bodies in the solar system, starting with an introductory description of the solar system and collection of pertinent data, continuing with a discussion of the early history of the planets, and finishing with articles about planet dynamics, thermal evolution of planets and satellites, and descriptions of their magnetic fields and the processes that generate them. In addition to providing a review on the solid planets and the satellites, this volume addresses the interactions of solid surfaces and atmospheres as well as the roles of water and ice in shaping the surfaces of planetary bodies. Self-contained volume starts with an overview of the subject then explores each topic with in depth detail Extensive reference lists and cross references with other volumes to facilitate further research Full-color figures and tables support the text and aid in understanding Content suited for both the expert and non-expert
Volume 37 of Reviews in Mineralogy moves from the complexity of rocks to their mineral components and finally to fundamental properties arising directly from the play of electrons and nuclei. This volume was prepared for a short course by the same t
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
