Author: Martin T. Dove
Publisher: Cambridge University Press
ISBN: 0521392934
Category : Science
Languages : en
Pages : 288
Book Description
The vibrations of atoms inside crystals - lattice dynamics - is basic to many fields of study in the solid-state and mineral sciences. This book provides a self-contained text that introduces the subject from a basic level and then takes the reader through applications of the theory.
Introduction to Lattice Dynamics
Author: Martin T. Dove
Publisher: Cambridge University Press
ISBN: 0521392934
Category : Science
Languages : en
Pages : 288
Book Description
The vibrations of atoms inside crystals - lattice dynamics - is basic to many fields of study in the solid-state and mineral sciences. This book provides a self-contained text that introduces the subject from a basic level and then takes the reader through applications of the theory.
Publisher: Cambridge University Press
ISBN: 0521392934
Category : Science
Languages : en
Pages : 288
Book Description
The vibrations of atoms inside crystals - lattice dynamics - is basic to many fields of study in the solid-state and mineral sciences. This book provides a self-contained text that introduces the subject from a basic level and then takes the reader through applications of the theory.
Electrons and Phonons
Author: J.M. Ziman
Publisher: Oxford University Press
ISBN: 9780198507796
Category : Science
Languages : en
Pages : 572
Book Description
This is a classic text of its time in condensed matter physics.
Publisher: Oxford University Press
ISBN: 9780198507796
Category : Science
Languages : en
Pages : 572
Book Description
This is a classic text of its time in condensed matter physics.
Treatise on Geophysics, Volume 2
Author: G David Price
Publisher: Elsevier
ISBN: 0444535764
Category : Science
Languages : en
Pages : 657
Book Description
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
Publisher: Elsevier
ISBN: 0444535764
Category : Science
Languages : en
Pages : 657
Book Description
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
AB Initio Calculation of Phonon Spectra
Author: J.T. Devreese
Publisher: Springer Science & Business Media
ISBN: 1461335639
Category : Technology & Engineering
Languages : en
Pages : 306
Book Description
Publisher: Springer Science & Business Media
ISBN: 1461335639
Category : Technology & Engineering
Languages : en
Pages : 306
Book Description
Zentropy
Author: Zi-Kui Liu
Publisher: CRC Press
ISBN: 1040118569
Category : Science
Languages : en
Pages : 855
Book Description
This book compiles selected publications authored or co-authored by the editor to present a comprehensive understanding of following topics: (1) density functional theory and CALPHAD modeling; (2) computational tools; and (3) applications of computational thermodynamics. It is noted that while entropy at one scale is well represented by standard statistical mechanics in terms of probability of individual configurations at that scale, the theory capable of counting total entropy of a system from different scales is lacking. The zentropy theory provides a nested form for configurational entropy enabling multiscale modeling to account for disorder and fluctuations from the electronic scale based on quantum mechanics to the experimental scale based on statistical mechanics using free energies of individual configurations rather than their total energies in standard statistical mechanics. The predictions from the zentropy theory demonstrate remarkable agreements with experimental observations for magnetic transitions and associated emergent behaviors of strongly correlated metals and oxides, including singularity and instability at critical points and positive and negative thermal expansions, without the need of additional truncated models and fitting model parameters beyond density function theory. This paves the way to provide the predicted phase equilibrium data for high throughput predictive CALPHAD modeling of complex material systems, and those individual configurations may thus be considered as the genomic building blocks of individual phases in the spirit of Materials Genome®.
Publisher: CRC Press
ISBN: 1040118569
Category : Science
Languages : en
Pages : 855
Book Description
This book compiles selected publications authored or co-authored by the editor to present a comprehensive understanding of following topics: (1) density functional theory and CALPHAD modeling; (2) computational tools; and (3) applications of computational thermodynamics. It is noted that while entropy at one scale is well represented by standard statistical mechanics in terms of probability of individual configurations at that scale, the theory capable of counting total entropy of a system from different scales is lacking. The zentropy theory provides a nested form for configurational entropy enabling multiscale modeling to account for disorder and fluctuations from the electronic scale based on quantum mechanics to the experimental scale based on statistical mechanics using free energies of individual configurations rather than their total energies in standard statistical mechanics. The predictions from the zentropy theory demonstrate remarkable agreements with experimental observations for magnetic transitions and associated emergent behaviors of strongly correlated metals and oxides, including singularity and instability at critical points and positive and negative thermal expansions, without the need of additional truncated models and fitting model parameters beyond density function theory. This paves the way to provide the predicted phase equilibrium data for high throughput predictive CALPHAD modeling of complex material systems, and those individual configurations may thus be considered as the genomic building blocks of individual phases in the spirit of Materials Genome®.
Theoretical and Computational Methods in Mineral Physics
Author: Renata M. Wentzcovitch
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 150150844X
Category : Science
Languages : en
Pages : 504
Book Description
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
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 150150844X
Category : Science
Languages : en
Pages : 504
Book Description
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
Statistical Mechanics of Lattice Systems
Author: Sacha Friedli
Publisher: Cambridge University Press
ISBN: 1107184827
Category : Mathematics
Languages : en
Pages : 643
Book Description
A self-contained, mathematical introduction to the driving ideas in equilibrium statistical mechanics, studying important models in detail.
Publisher: Cambridge University Press
ISBN: 1107184827
Category : Mathematics
Languages : en
Pages : 643
Book Description
A self-contained, mathematical introduction to the driving ideas in equilibrium statistical mechanics, studying important models in detail.
Domain Walls
Author: Dennis Meier
Publisher: Oxford University Press, USA
ISBN: 0198862490
Category : Science
Languages : en
Pages : 366
Book Description
As the first of its kind, this book identifies major questions and challenges that will influence research on domain walls in the years to come.
Publisher: Oxford University Press, USA
ISBN: 0198862490
Category : Science
Languages : en
Pages : 366
Book Description
As the first of its kind, this book identifies major questions and challenges that will influence research on domain walls in the years to come.
Physics of Ferroelectrics
Author: Karin M. Rabe
Publisher: Springer Science & Business Media
ISBN: 3540345914
Category : Technology & Engineering
Languages : en
Pages : 395
Book Description
The past two decades have witnessed revolutionary breakthroughs in the understanding of ferroelectric materials, both from the perspective of theory and experiment. This book addresses the paradigmatic shifts in understanding brought about by these breakthroughs, including the consideration of novel fabrication methods and nanoscale applications of these materials, and new theoretical methods such as the effective Hamiltonian approach and density functional theory.
Publisher: Springer Science & Business Media
ISBN: 3540345914
Category : Technology & Engineering
Languages : en
Pages : 395
Book Description
The past two decades have witnessed revolutionary breakthroughs in the understanding of ferroelectric materials, both from the perspective of theory and experiment. This book addresses the paradigmatic shifts in understanding brought about by these breakthroughs, including the consideration of novel fabrication methods and nanoscale applications of these materials, and new theoretical methods such as the effective Hamiltonian approach and density functional theory.
The Physics of Phonons
Author: Gyaneshwar P. Srivastava
Publisher: CRC Press
ISBN: 1000686922
Category : Science
Languages : en
Pages : 457
Book Description
This fully updated second edition of The Physics of Phonons remains the most comprehensive theoretical discussion devoted to the study of phonons, a major area of condensed matter physics. It contains exciting new sections on phonon-related properties of solid surfaces, atomically thin materials (such as graphene and monolayer transition metal chalcogenides), in addition to nano- structures and nanocomposites, thermoelectric nanomaterials, and topological nanomaterials, with an entirely new chapter dedicated to topological nanophononics and chiralphononics. Although primarily theoretical in approach, the author refers to experimental results wherever possible, ensuring an ideal book for both experimental and theoretical researchers. The author begins with an introduction to crystal symmetry and continues with a discussion of lattice dynamics in the harmonic approximation, including the traditional phenomenological approach and the more recent ab initio approach, detailed for the first time in this book. A discussion of anharmonicity is followed by the theory of lattice thermal conductivity, presented at a level far beyond that available in any other book. The chapter on phonon interactions is likewise more comprehensive than any similar discussion elsewhere. The sections on phonons in superlattices, impure and mixed crystals, quasicrystals, phonon spectroscopy, Kapitza resistance, and quantum evaporation also contain material appearing in book form for the first time. The book is complemented by numerous diagrams that aid understanding and is comprehensively referenced for further study. With its unprecedented wide coverage of the field, The Physics of Phonons is an indispensable guide for advanced undergraduates, postgraduates, and researchers working in condensed matter physics and materials science. Features Fully updated throughout, with exciting new coverage on graphene, nanostructures and nanocomposites, thermoelectric nanomaterials, and topological nanomaterials. Authored by an authority on phonons. Interdisciplinary, with broad applications through condensed matter physics, nanoscience, and materials science. --
Publisher: CRC Press
ISBN: 1000686922
Category : Science
Languages : en
Pages : 457
Book Description
This fully updated second edition of The Physics of Phonons remains the most comprehensive theoretical discussion devoted to the study of phonons, a major area of condensed matter physics. It contains exciting new sections on phonon-related properties of solid surfaces, atomically thin materials (such as graphene and monolayer transition metal chalcogenides), in addition to nano- structures and nanocomposites, thermoelectric nanomaterials, and topological nanomaterials, with an entirely new chapter dedicated to topological nanophononics and chiralphononics. Although primarily theoretical in approach, the author refers to experimental results wherever possible, ensuring an ideal book for both experimental and theoretical researchers. The author begins with an introduction to crystal symmetry and continues with a discussion of lattice dynamics in the harmonic approximation, including the traditional phenomenological approach and the more recent ab initio approach, detailed for the first time in this book. A discussion of anharmonicity is followed by the theory of lattice thermal conductivity, presented at a level far beyond that available in any other book. The chapter on phonon interactions is likewise more comprehensive than any similar discussion elsewhere. The sections on phonons in superlattices, impure and mixed crystals, quasicrystals, phonon spectroscopy, Kapitza resistance, and quantum evaporation also contain material appearing in book form for the first time. The book is complemented by numerous diagrams that aid understanding and is comprehensively referenced for further study. With its unprecedented wide coverage of the field, The Physics of Phonons is an indispensable guide for advanced undergraduates, postgraduates, and researchers working in condensed matter physics and materials science. Features Fully updated throughout, with exciting new coverage on graphene, nanostructures and nanocomposites, thermoelectric nanomaterials, and topological nanomaterials. Authored by an authority on phonons. Interdisciplinary, with broad applications through condensed matter physics, nanoscience, and materials science. --