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One of the major developments in Earth Sciences in general, and mineralogy in particular, has been the growth of our understanding of the microscopic behaviour of the complex materials that make up the Earth. This has been made possible by advances in our ability to probe minerals at the atomic level, over a large range of pressure and temperature conditions. New experimental techniques include the use of scanning probe microscopies to investigate mineral surfaces, as well as the use of neutron scattering, nuclear spectroscopies and synchrotron radiation to investigate the bonding and structure of minerals. In addition, there have been major developments in computational methods so that it is now possible to calculate the electronic structure of many rock forming materials. The aim of this volume is to give a coherent survey of the latest developments in experimental and theoretical approaches to the study of microscopic propertie~ and processes in minerals. Chapters in the book cover a number of key themes in the mineral sciences such as the behaviour of minerals at extremes of pressure and temperature, ordering in complex silicates, mechanisms of water incorporation in mantle phases, the importance of reactions occurring at the mineral surface, and the ability of computational methods to provide useful, qualitative information on the bulk and surface properties of minerals. The background to several experimental techniques is covered in some detail with examples of relevance to the issues cited above.
Table des matières
1. Crystal structures at extremes of pressure and temperature.- 2. Equations of state.- 3. Introduction to Raman spectroscopy at extreme pressure and temperature conditions.- 4. Thermodynamic properties of minerals at high pressures and temperatures from vibrational spectroscopic data.- 5. Introduction to the application of neutron spectroscopy in the Earth Sciences.- 6. Synchrotron radiation and solid state science.- 7. In situ structural and kinetic powder diffraction studies of aluminosilicates.- 8. Mineral synthesis by flux-growth methods.- 9. Bonding and electronic structure of minerals.- 10. Crystal chemistry of metal sulfide minerals.- 11. Introduction to the theory of lattice dynamics.- 12. Disorder and defects in solids.- 13. The modelling of bulk diffusion in solids.- 14. Classical computer simulations.- 15. Ab initio LCAO periodic simulations of crystal properties. Phase transitions, magnetic and electronic behaviour, X-ray diffraction.- 16. Atomic structure of disordered materials.- 17. Principles of solid state NMR spectroscopy and applications to determining local order in minerals.- 18. Introduction to the theory of displacive phase transitions.- 19. Order/disorder phenomena in minerals: ordering phase transitions and solid solutions.- 20. Phase transitions and Equations of State.- 21. IR spectroscopy and hydrogen bonding in minerals.- 22. Water in nominally anhydrous minerals.- 23. Contribution of IR spectroscopy to the problem of water in the Earth's mantle.- 24. Solubility and diffusion of 'water' in silicate minerals.- 25. The theory and simulation of the melting of minerals.- 26. Molecular dynamics computer simulations of silicate glasses.- 27. Mineral surface science: principles, applications and case studies.- 28. Atomistic simulation ofmineral surfaces and interfaces.
Résumé
Proceedings of the NATO Advanced Study Institute, Il Ciocco, Lucca, Italy, 7-19 September, 1998
