Yury N. Osetsky
Oak Ridge National Laboratory
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Publication
Featured researches published by Yury N. Osetsky.
Philosophical Magazine Letters | 2013
German Samolyuk; Stanislav I Golubov; Yury N. Osetsky; Roger E. Stoller
The alignment of vacancy loops and voids along basal planes observed in irradiated Zr and Zr alloys requires anisotropic point-defect transport with a dominant contribution along the basal plane. For neutron irradiation, this can be explained by one-dimensional mobility of self-interstitial atom (SIA) clusters, but experiments with electron irradiation indicate unambiguously that even single SIA should exhibit anisotropic diffusion. No experimental information is available on SIA properties in Zr and the previous ab initio calculations did not provide any evidence of anisotropic diffusion mechanisms. An extensive investigation of SIAs in Zr has been performed from first principles using two different codes. It was demonstrated that the simulation cell size, type of pseudopotential, exchange-correlation functional and the c/a ratio are crucially important for determining the properties of interstitials in hcp Zr. The most stable SIA configurations lie in the basal plane, which should lead to SIA diffusion mainly along basal planes.
Fusion Science and Technology | 2017
German Samolyuk; Yury N. Osetsky; Roger E. Stoller
Tungsten and its alloys are the primary candidate materials for plasma-facing components in fusion reactors. The material is exposed to high-energy neutrons and the high flux of helium and hydrogen atoms. In this work we have studied the properties of vacancy clusters and their interaction with H and He in W using density functional theory. Convergence of calculations with respect to modeling cell size was investigated. It is demonstrated that vacancy cluster formation energy converges with small cells with a size of 6 × 6 × 6 (432 lattice sites) enough to consider a microvoid of up to six vacancies with high accuracy. Most of the vacancy clusters containing fewer than six vacancies are unstable. Introducing He or H atoms increases their binding energy potentially making gas-filled bubbles stable. According to the results of the calculations, the H2 molecule is unstable in clusters containing six or fewer vacancies.
Physical Review Letters | 2013
Haixuan Xu; Roger E. Stoller; Yury N. Osetsky; Dmitry Terentyev
Physical Review B | 2011
Haixuan Xu; Yury N. Osetsky; Roger E. Stoller
Acta Materialia | 2014
German Samolyuk; Alexander V. Barashev; Stanislav I Golubov; Yury N. Osetsky; Roger E. Stoller
Acta Materialia | 2013
D. Terentyev; F. Bergner; Yury N. Osetsky
Journal of Nuclear Materials | 2011
German Samolyuk; Stanislav I Golubov; Yury N. Osetsky; Roger E. Stoller
Journal of Nuclear Materials | 2013
Haixuan Xu; Roger E. Stoller; Yury N. Osetsky
Journal of Nuclear Materials | 2012
Haixuan Xu; Yury N. Osetsky; Roger E. Stoller
Physical Review B | 2007
Sirish Namilae; D. M. C. Nicholson; Phani Kumar V. V. Nukala; Carrie Y. Gao; Yury N. Osetsky; David J. Keffer