Modeling radiation induced segregation in Iron-Chromium alloys

Senninger, Oriane; Soisson, Frederic; Martinez Saez, Enrique; Nastar, Maylise; Fu, Chu-Chun; Brechet, Yves

doi:10.1016/j.actamat.2015.09.058

Modeling radiation induced segregation in Iron-Chromium alloys

Journal Article · Fri Oct 16 00:00:00 EDT 2015 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2015.09.058· OSTI ID:1335617

Senninger, Oriane ^[1]; Soisson, Frederic ^[1]; Martinez Saez, Enrique ^[2]; Nastar, Maylise ^[1]; Fu, Chu-Chun ^[1]; Brechet, Yves ^[3]

Alternative Energies and Atomic Energy Commission (CEA), Saclay (France)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
SIMAP, Cedex (France)

Radiation induced segregation in ferritic Fe-Cr alloys is studied by Atomistic Kinetic Monte Carlo simulations that include di usion of chemical species by vacancy and interstitial migration, recombination, and elimination at sinks. The parameters of the di usion model are tted to DFT calculations. Transport coe cients that control the coupling between di usion of defects and chemical species are measured in dilute and concentrated alloys. Radiation induced segregation near grain boundaries is directly simulated with this model. We nd that the di usion of vacancies toward sinks leads to a Cr depletion. Meanwhile, the di usion of self-interstitials causes an enrichment of Cr in the vicinity of sinks. For concentrations lower than 15%Cr, we predict that sinks will be enriched with Cr for temperatures lower than a threshold. When the temperature is above this threshold value, the sinks will be depleted in Cr. These results are compared to previous experimental studies and models. Cases of radiation induced precipitation and radiation accelerated precipitation are considered.

View Accepted Manuscript (DOE)

Research Organization:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: LDRD; USDOE

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1335617

Alternate ID(s):: OSTI ID: 22554330
OSTI ID: 1397671

Report Number(s):: LA--UR-15-28564

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Vol. 103; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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