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DDC 549
W 54
Wentzcovitch, Renata M.
Theoretical and Computational Methods in Mineral Physics : : Geophysical Applications. / Renata M. Wentzcovitch, Stixrude, Lars. - Boston : : De Gruyter, Inc.,, 2018. - 1 online resource (504 pages). - (Reviews in Mineralogy and Geochemistry Ser. ; ; v. 71). - URL: https://library.dvfu.ru/lib/document/SK_ELIB/08D13092-8692-4BBA-B20D-77312BE3F3B9
. - ISBN 150150844X. - ISBN 9781501508448 (electronic bk.)
Print version record.
Параллельные издания: Print version: : Wentzcovitch, Renata M. Theoretical and Computational Methods in Mineral Physics : Geophysical Applications. - Boston : De Gruyter, Inc., ©2018. - ISBN 9780939950850
Содержание:
Intro; SHORT COURSE SERIES DEDICATION; PREFACE; TABLE OF CONTENTS; 1. Density Functional Theory of Electronic Structure: A Short Course for Mineralogists and Geophysicists; 2. The Minnesota Density Functionals and their Applications to Problems in Mineralogy and Geochemistry; 3. Density-Functional Perturbation Theory for Quasi-Harmonic Calculations; 4. Thermodynamic Properties and Phase Relations in Mantle Minerals Investigated by First Principles Quasiharmonic Theory; 5. First Principles Quasiharmonic Thermoelasticity of Mantle Minerals; 6. An Overview of Quantum Monte Carlo Methods
7. Quantum Monte Carlo Studies of Transition Metal Oxides8. Accurate and Efficient Calculations on Strongly Correlated Minerals with the LDA+U Method: Review and Perspectives; 9. Spin-State Crossover of Iron in Lower-Mantle Minerals: Results of DFT+U Investigations; 10. Simulating Diffusion; 11. Modeling Dislocations and Plasticity of Deep Earth Materials; 12. Theoretical Methods for Calculating the Lattice Thermal Conductivity of Minerals; 13. Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials; 14. Multi-Mbar Phase Transitions in Minerals
15. Computer Simulations on Phase Transitions in Ice16. Iron at Earth's Core Conditions from First Principles Calculations; 17. First-Principles Molecular Dynamics Simulations of Silicate Melts: Structural and Dynamical Properties; 18. Lattice Dynamics from Force-Fields as a Technique for Mineral Physics; 19. An Efficient Cluster Expansion Method for Binary Solid Solutions: Application to the Halite-Silvite, NaCl-KCl, System; 20. Large Scale Simulations; 21. Thermodynamics of the Earth's Mantle
Рубрики: Aufsatzsammlung.
Computerunterstütztes Verfahren.
Geophysik.
Mineralchemie.
Mineralogy.
Аннотация: Reviews in Mineralogy & Geochemistry (RiMG) volumes contain concise advances in theoretical and/or applied mineralogy, crystallography, petrology, and geochemistry.
Доп.точки доступа:
Stixrude, Lars.