Sökning: "Mattias Ångqvist"

Hittade 2 avhandlingar innehållade orden Mattias Ångqvist.

1. 1. Atomic scale modeling of ordering phenomena

   Författare :Mattias Ångqvist; Chalmers University of Technology; []
   Nyckelord :Monte Carlo; ordering phenomena; tungsten carbide; inorganic clathrates; alloys; Cluster expansion; zeolites;

   Sammanfattning : Ordering phenomena in materials often have a crucial impact on materials properties. They are governed by the competition between entropy and energy. Accordingly simulating these aspects requires the construction of models that enable a computationally efficient exploration of the relevant configuration space. LÄS MER

3. 2. Atomic scale modeling of ordering phenomena in inorganic clathrates

   Författare :Mattias Ångqvist; Chalmers University of Technology; []
   Nyckelord :ordering phenomena; Cluster expansion; Monte Carlo; Inorganic clathrates;

   Sammanfattning : Ordering phenomena in materials often have a crucial impact on materials properties. They are governed by the competition between entropy and energy. Accordingly simulating these aspects requires the construction of models that enable an computationally efficient exploration of the relevant configuration space. LÄS MER