Modeling of radiation hardening in ferritic/martensitic steel using multi-scale approach

NN Kumar and PV Durgaprasad and BK Dutta and GK Dey, COMPUTATIONAL MATERIALS SCIENCE, 53, 258-267 (2012).

DOI: 10.1016/j.commatsci.2011.08.035

Fe-Cr based ferritic/martensitic (FM) steels are the candidate structural materials for future fusion reactors. In this work, a multi- scale approach comprising atomistic and dislocation dynamic simulations are used to understand the hardening of these materials due to irradiation. At the atomic scale, molecular dynamics (MD) simulations are used to study the mobility of an edge dislocation and its interaction with irradiation induced voids and bubbles. The dislocation dynamics (DD) simulations are used to estimate the change in flow stress of the material as a result of irradiation hardening. The key input to the DD simulations are the friction stress and maximum shear stress for the edge dislocation to overcome the defects as determined from atomistic simulations. The results obtained from the MD and DD simulations are in qualitative agreement with experimental results of hardening behavior of irradiated FM steels. (C) 2011 Elsevier B. V. All rights reserved.

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