Computational Quantum Mechanics for Materials Engineers The EMTO Method and Applications /

• Κύριος συγγραφέας: Vitos, Levente (Συγγραφέας)
• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: London : Springer London, 2007.
• Σειρά: Engineering Materials and Processes,
• Θέματα: Materials science.; Materials Science.; Characterization and Evaluation of Materials.

Traditionally, new materials have been developed by empirically correlating their chemical composition, and the manufacturing processes used to form them, with their properties. Until recently, metallurgists have not used quantum theory for practical purposes. However, the development of modern dens...

Πίνακας περιεχομένων:

• The Method
• Basics of Electronic Structure Calculations
• Exact Muffin-tin Orbitals Method
• Slope Matrix
• Full Charge Density Technique
• The EMTO-CPA Method
• Applications
• Ground-state Properties
• Ordered Solids
• Binary Alloys
• Iron—chromium—nickel Alloys.