On the effect of elastic anisotropy and polarizability on solute segregation at low-angle grain boundarie

A new scientific article is available in open access! Published in Computational Materials Science (Vol. 249), this article was written by Joé Petrazoller, with the contribution of Julien Guénolé, Stéphane Berbenni and Thiebaud Richeton.

In this article, we explore solute segregation at low-angle symmetric tilt grain boundaries (LAGBs) by modeling solute atoms as elastic dipoles interacting with the strain fields of grain boundaries. The interaction energy derived from this approach is compared with segregation energies obtained via molecular statics. We highlight that the elastic dipole approximation is a powerful and efficient method for approximating segregation energy spectra in LAGBs, aligning closely with results from atomistic simulations.

The full article is available on ScienceDirect.