4th Workshop on Nuclear Fe Alloys, Edinburgh. Experimental evidence *: Addition of Ni promotes nucleation and/or immobilization of SIA clusters and small.

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Presentation transcript:

4th Workshop on Nuclear Fe Alloys, Edinburgh

Experimental evidence *: Addition of Ni promotes nucleation and/or immobilization of SIA clusters and small dislocation loops. – %Ni↑: Size ↓, density↑, relative fraction of a/2 loops↑ ‘Loop stabilization' effect leads to reduction of the void growth since homogenously distributed small (TEM invisible) loops act as efficient sinks for vacancies *(Mat.Res.Soc. Symp. Proc., 373 (1995) 57; PERFECT_Report:D1-3.8) 4th Workshop on Nuclear Fe Alloys, Edinburgh How Ni solid solution affects the mobility of in-cascade generated SIA clusters in dilute Fe-Ni alloys

Point defects (PD) – PD - Ni Interaction energy – PD diffusion in Fe and Fe-Ni SIA clusters (7, 19 & 37) (Radius < 1nm) – Cluster – Ni Interaction energy – Cluster diffusion in Fe-0.8%Ni 4th Workshop on Nuclear Fe Alloys, Edinburgh

E m (Fe)0.63 E m (Ni)0.61 E m (Fe, Ni 2nn)0.52 E m (Fe, Ni 3nn)0.71 E m (Fe, Ni 5nn)0.68 E b (1nn)-0.02 E b (2nn)0.10 Vacancy migration energy barrier (eV) * Ni-Vacancy binding energy (eV) * Fe diffusion coefficients (m 2 /s) E a =0.56eV * Interatomic potential Fe-Ni: G. Bonny et al. MSMS Eng. 17 (2009)

4th Workshop on Nuclear Fe Alloys, Edinburgh T (K)

4th Workshop on Nuclear Fe Alloys, Edinburgh E m Fe-Fe (bulk)0.31 E m Fe-Fe Ni(1nn) tens.0.35 E m Fe-Fe Ni(1nn) comp.0.23 Single SIA migration energy barrier (eV) E b Fe-Fe Ni(1nn) tens E b Fe-Fe Ni(1nn) comp E b Fe-Ni Ni(1nn) comp Ni-SIA binding energy (eV)* Matrix atom Solute atom Fe-Fe Ni (1nn) tension Fe-Fe Ni (1nn) compression Fe-Ni Ni (1nn) compression *G. Bonny et al. MSMS Eng. 17 (2009)

4th Workshop on Nuclear Fe Alloys, Edinburgh E a (Fe) = 0.27eV E a (Ni) = 0.32eV

4th Workshop on Nuclear Fe Alloys, Edinburgh 17 61SIAs E b (centre)= 0.07 eV E b (edge) = 0.26eV 7SIAs E b (centre)= 0.15 eV E b (edge) = 0.22eV

4th Workshop on Nuclear Fe Alloys, Edinburgh [111] [1-10] 900K 600K 450K

4th Workshop on Nuclear Fe Alloys, Edinburgh 900K 600K 450K 300K

4th Workshop on Nuclear Fe Alloys, Edinburgh 500K T (K)

4th Workshop on Nuclear Fe Alloys, Edinburgh T (K)

We studied diffusion of point defects and SIA clusters in dilute Fe-Ni alloys (0.5, 0.8, 1.6 wt%Ni) Diffusion of point defects is almost not affected by Ni solid solutions from 0.5 to 1.6% The mobility of SIA clusters is strongly affected by Ni and decreases with size of cluster and concentration of Ni Ni in low concentrations provides the necessary friction to slow down clusters decreasing the diffusion coefficient and increasing the activation energy 4th Workshop on Nuclear Fe Alloys, Edinburgh

Defect diffusion coefficient calculation: TTD: Time trajectory decomposition SD: Self diffusion coefficient JFA: Jump Frequency Analysis n : dimensionality of diffusion N sd : number of isochronal segments of t sd. E m: migration energy D=D 0 exp(-E m /KT)