Sökning: "Matteo Calandra"

Hittade 1 avhandling innehållade orden Matteo Calandra.

1. 1. Vibrations in solids : From first principles lattice dynamics to high temperature phase stability

   Författare :Nina Shulumba; Magnus Odén; Igor Abrikosov; Frank Mücklich; Matteo Calandra; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : In this thesis I introduce a new method for calculating the temperature dependent vibrational contribution to the free energy of a substitutionally disordered alloy that accounts for anharmonicity at high temperatures. This method exploits the underlying crystal symmetries in an alloy to make the calculations tractable. LÄS MER