Diffusion in the bulk and in a symmetri tilt grain boundary of the Fe-Cr system

CARLA GARCÍA; RAMUNNI, V.P.

JOURNAL OF NUCLEAR MATERIALS

ELSEVIER SCIENCE BV

Lugar: Amsterdam; Año: 2019 vol. 1 p. 1 - 13

0022-3115

Classial and quantum alulations were performed in haraterizing the interstitials transport parameters in the bulk of a diluted Fe-Cr alloy and, in the Σ5 symmetri  tilt grain boundary (GB) struture. For the bulk, inthe same line of ideas as the multi-frequeny model, we obtain the relevant transport parameters, namely: i) the involved jump frequenies in the assoiated multi-frequeny model, ii) the full set of phenomenologial Onsager oeients, iii) the interstitial wind parameter, as well as, iv) the traer self- and solute diusion oeients. Our alulations inlude the eets of entropy and ferromagneti  transition in the ativation energy. We compare present alulations with available experimental data. As is expeted, we have found in the bulk that Fe and Cr diuse mainly via a vaany mehanism, while diusion by interstitials is several orders of magnitudes slower.For the GB, our alulations are in a ordane with experimental data and show that diusion is almost two orders of magnitude higher than in the bulk. Also, ontrary to the bulk Cr diuses slower than Fe in the GB.Present results show that both, interstitial and vaany mehanisms, are important in studying diusion in the GB.What do you want to do ?New mailCopy