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Ab initio description of mono-vacancies in austenitic stainless steels
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- Delczeg, Lorand (author)
- KTH,Tillämpad materialfysik
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- Johansson, Börje (author)
- KTH,Tillämpad materialfysik
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- Vitos, Levente (author)
- KTH,Tillämpad materialfysik
- (creator_code:org_t)
- English.
- Other publication (other academic/artistic)
Abstract
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- Using a first-principles computational method, we have calculated the vacancy formation energies of paramagnetic Fe-Cr-Ni alloys as a function of chemical composition. The theoretical predictions obtained for homogeneous chemistry and relaxed nearest-neighbors are in line with the experimental observation. In particular, Ni is found to decrease and Cr increase the vacancy formation energy of the ternary system.
Subject headings
- TEKNIK OCH TEKNOLOGIER -- Materialteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering (hsv//eng)
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- ovr (subject category)
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- Royal Institute of Technology
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