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1. 1. Toughness enhancement in transition metal nitrides

   Författare :Davide Giuseppe Sangiovanni; Valeriu Chirita; Lars Hultman; Sergey Simak; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; cubic; transition metal nitrides; mechanical properties; ab initio; dft; toughness; ductility; electronic structure; Condensed matter physics; Kondenserade materiens fysik;

   Sammanfattning : Toughness enhancements can be induced in cubic-B1 transition metal nitride alloys by an increased occupation of the d-t2g metallic states. In this Licentiate Thesis I use density functional theory to investigate the mechanical properties of TiN and VN and of the ternaries obtained by replacing 50% of Ti and V atoms with M (M = V, Nb, Ta, Mo, and W) to form ordered structures with minimum number of inter-metallic bonds. LÄS MER

3. 2. Metal film growth on weakly-interacting substrates : Multiscale modeling

   Författare :Víctor Gervilla Palomar; Kostas Sarakinos; Georgios Almyras; Davide Giuseppe Sangiovanni; Michael Tringides; Linköpings universitet; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : Thin films are nanoscale layers of material used to functionalize surfaces or to serve as building blocks in more complex devices. In recent years, thin metal films have become vital for modern devices within, e.g. LÄS MER