Sökning: "María Verónica Ganduglia-pirovano"

Hittade 1 avhandling innehållade orden María Verónica Ganduglia-pirovano.

1. 1. Configurational Thermodynamics of the CeO2-Gd2O3 System : A Combined DFT, Cluster Expansion and Monte Carlo Approach to Bulk and Interfaces

   Författare :Pjotrs A. Žguns; Natalia V. Skorodumova; Andrei V. Ruban; María Verónica Ganduglia-Pirovano; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : In this thesis, we study the configurational thermodynamics of Ce1-xGdxO2-x/2 x ≤ 1 or CGO. We apply a combined Density Functional Theory (DFT), cluster expansion and Monte Carlo (MC) approach in which the configurational energy of CGO is described by means of the Ising-type Hamiltonian. LÄS MER