Multiscale Modeling of Irradiation Induced Hardening in Iron Alloys

IN Mastorakos and HM Zbib and DS Li and MA Khaleel and X Sun, ACTINIDES AND NUCLEAR ENERGY MATERIALS, 1444, 43-48 (2012).

DOI: 10.1557/opl.2012.1424

Structural materials in the new Generation IV reactors will operate in harsh radiation conditions coupled with high levels of hydrogen and helium production and will experience severe degradation of mechanical properties. Therefore, understanding of the physical mechanisms responsible for the microstructural evolution and corresponding mechanical property changes is critical. As the involved phenomena are very complex and span in several length scales, a multiscale approach is necessary in order to fully understand the degradation of materials in irradiated environments. In previous work, we used molecular dynamics simulations to develop critical rules for the mobility of dislocations in various iron alloys and their interaction with several types of defects that include, among others, helium bubbles and grain boundaries. In this work, Dislocation Dynamics simulations of iron alloys are used to study the mechanical behavior and the degradation under irradiation of large systems with high dislocation and defect densities.

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