Author/Authors :
Nguyen-Manh، نويسنده , , D. and Cawkwell، نويسنده , , M.J. and Grِger، نويسنده , , R. and Mrovec، نويسنده , , M. and Porizek، نويسنده , , R. and Pettifor، نويسنده , , D.G. and Vitek، نويسنده , , V.، نويسنده ,
Abstract :
Environment-dependent bond-order potentials have been developed for L10 TiAl, bcc Mo and fcc Ir. They comprise both the angular character of bonding and the screening effect of nearly free electrons. These potentials have been employed in atomistic studies of screw dislocations that revealed the non-planar character of their cores. It is argued that both covalent as well as metallic character of bonding govern these structures, which in turn control the mechanical behaviour.
Keywords :
Non-planar spreading , Core structure , Tight-binding scheme , ?-Surface energies , Bond-order potentials , Environmental dependence , Screw dislocation
