Adhesion at a heterophase interface: First-principles study of Mo(001)/MoSi2(001)

First-principles study of point defects at a semicoherent interface

Most of the atomistic modeling of semicoherent metal-metal interfaces has so far been based on the use of semiempirical interatomic potentials. We show that key conclusions drawn from previous studies are in contradiction with more precise ab-initio calculations. In particular we find that single point defects do not delocalize, but remain compact near the interfacial plane in Cu-Nb multilayers...

Adhesion, atomic structure, and bonding at the Al„111...Õa-Al2O3„0001... interface: A first principles study

We have performed a series of ab initio calculations to determine the atomic structure, ideal work of adhesion (Wad ), and bonding character of the Al(111)/a-Al2O3(0001) interface. Six candidate interface geometries were considered, including Al and O terminations of the oxide. Minimization of the HellmanFeynman forces resulted in substantial changes to the atomic structure of the metal near th...

effects of first language on second language writing-a preliminary contrastive rhetoric study of farsi and english

to explore the idea the investingation proposed, aimed at finding whether the performances of the population of iranians students studying english in an efl context are consistent in l1 and l2 writing taks and whether there is a cross-linguistic transfer in this respect. in this regard the subjects were instructed to write four compositions-two in english and two in farsi-which consisted of an ...

Magnetoelectric effect at the Fe3O4 /BaTiO3 (001) interface: A first-principles study

First-principles study of the SiNx/TiN(001) interface