Ab-initio Assisted Petrology

Ottonello, Giulio Armando; Attene, Marco; Vetuschi Zuccolini, Marino

This book provides a promotional exercise to foster the application of quantum mechanics to petrology. It addresses long-standing discrepancies in high-pressure melting data and provides a full appraisal of anharmonicity, essential for computing heat capacities, Gibbs free energy, and energy landscapes. Unlike empirical models, quantum-mechanical simulations deliver first-principles accuracy for complex systems, from pure oxides to quaternary compositions, using advanced mathematical tools like Delaunay Fragmentation and Convex Hull Analysis.

Details

Published by: Springer

Publication Date: 2026-05-22

Format: Hardcover

ISBN-13: 9783032256577

DOI: 10.1007/978-3-032-25658-4

Dimensions: 235cm x155cm

Pages: 202