A new approach based on the Embedded Atom
Method is applied to model the
structure of grain boundaries in nanostructured powders. A Monte-Carlo
namely various modifications of the well established simulated
annealing Metropolis algorithm, is used to obtain realistic structures
tilted double and triple grain boundaries as a function of the relative
disorientation of the grains. A few parameters have to be assumed.
Results indicate a new
configuration which is closer to the bcc structure than the fcc one in
of iron nanopowders.