Search for dissertations about: "Sergiu Arapan"

Found 1 swedish dissertation containing the words Sergiu Arapan.

2. 1. Understanding Physical Reality via Virtual Experiments

   Author : Sergiu Arapan; Rajeev Ahuja; Börje Johansson; Chris Pickard; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; 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;

   Abstract : 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 carbon cycle through the subduction of the oceanic crust. READ MORE