Electronic Structure and Mechanical Properties of Metals and Intermetallics
Final rept. 20 Mar 2000-19 Mar 2004
CALIFORNIA STATE UNIV NORTHRIDGE CA DEPT OF PHYSICS
Pagination or Media Count:
State-of-the-art first-principles electronic structure calculations based on the full-potential linear-muffin-tin-orbital method and the pseudopotential method were employed to study systematically 1 The dislocation core properties of the clean aluminum and silver systems 2 The effect of sampling scheme of the misfit energy across the glide plane 3 The Hydrogen-enhanced local plasticity in aluminum 4 The correlation of the topology of the electronic charge density with the energetics and stability of planar faults in fcc metals 5 The grain boundary sliding properties in aluminum and the effect of a vacancy on the grain boundary migration 6 The effect of hydrogenation on the electronic structure of single-walled carbon nanotubes 7The electronic structure of metalceramic interfaces between Al2O3 and titanium overlayers 8 The adsorption properties of a monomer H2O molecule on the Ni3Al 001 surface and 9 The dislocation core properties of Cu-Al alloys.
- Inorganic Chemistry
- Physical Chemistry
- Refractory Fibers