Understanding Physical Reality via Virtual Experiments

Understanding Physical Reality via Virtual Experiments

In this thesis I have studied some problems of condensed matter at high pressures and temperatures by means of numerical simulations based on Density Functional Theory (DFT). The stability of MgCO3 and CaCO3 carbonates at the Earth's mantle conditions may play an important role in the global ca...

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Bibliographic Details
Main Author: Arapan, Sergiu
Format: Doctoral Thesis
Language:English
Published: Uppsala universitet, Institutionen för fysik och materialvetenskap 2008
Subjects:
density functional theory
ab initio calculations
electronic structure
lattice dynamics
high-pressure phase transitions
high-temperature phase transitions
incommensurate structures
Condensed matter physics
Kondenserade materiens fysik
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-9314
http://nbn-resolving.de/urn:isbn:978-91-554-7305-1

Internet

http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-9314
http://nbn-resolving.de/urn:isbn:978-91-554-7305-1

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