Sökning: "EARTH-CORE"

Hittade 2 avhandlingar innehållade ordet EARTH-CORE.

1. 1. Studies of Material Properties using Ab Initio and Classical Molecular Dynamics

   Författare :Love Koči; Börje Johansson; Rajeev Ahuja; Dario Alfè; Uppsala universitet; []
   Nyckelord :Atomic and molecular physics; molecular dynamics; phase transitions; melting; elasticity; equation of state; metals; rare gases; Atom- och molekylfysik;

   Sammanfattning : In this thesis, material properties have been examined under extreme conditions in computer-based calculations.The research on iron (Fe), nickel (Ni), and ferropericlase (Mg1-xFexO) are not only important for our understanding of the Earth, but also for an improved knowledge of these materials per se. LÄS MER

3. 2. Combining ab‐initio and machine learning techniques for theoretical simulations of hard nitrides at extreme conditions

   Författare :Florian Bock; Igor Abrikosov; Ferenc Tasnadi; Magnus Odén; Martin Friák; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : In this thesis I focus on combining the high accuracy of first-principles calculations with modern machine learning methods to make large scale investigations of industrially relevant nitride systems reliable and computationally viable. I study the electronic, thermodynamic and mechanical properties of two families of compounds: Ti1−xAlxN alloys at the operational conditions of industrial cutting tools and ReNx systems at crushing pres-sures comparable to inner earth core conditions. LÄS MER