Atomistic Studies of Point Defect Migration Rates in the Iron-Chromium System

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Generation and migration of helium and other point defects under irradiation causes ferritic steels based on the Fe-Cr system to age and fail. This is motivation to study point defect migration and the He equation of state using atomistic simulations due to the steels' use in future reactors. A new potential for the Fe-Cr-He system developed by collaborators at the Lawrence Livermore National Laboratory was validated using published experimental data. The results for the He equation of state agree well with experimental data. The activation energies for the migration of He- and Fe-interstitials in varying compositions of Fe-Cr lattices agree ... continued below

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viii, 68 p. : ill.

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Hetherly, Jeffery August 2010.

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  • Hetherly, Jeffery

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Description

Generation and migration of helium and other point defects under irradiation causes ferritic steels based on the Fe-Cr system to age and fail. This is motivation to study point defect migration and the He equation of state using atomistic simulations due to the steels' use in future reactors. A new potential for the Fe-Cr-He system developed by collaborators at the Lawrence Livermore National Laboratory was validated using published experimental data. The results for the He equation of state agree well with experimental data. The activation energies for the migration of He- and Fe-interstitials in varying compositions of Fe-Cr lattices agree well with prior work. This research did not find a strong correlation between lattice ordering and interstitial migration energy

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viii, 68 p. : ill.

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UNT Theses and Dissertations

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  • August 2010

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  • Jan. 6, 2011, 6:55 a.m.

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  • Dec. 4, 2013, 10:35 a.m.

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Hetherly, Jeffery. Atomistic Studies of Point Defect Migration Rates in the Iron-Chromium System, thesis, August 2010; Denton, Texas. (digital.library.unt.edu/ark:/67531/metadc30463/: accessed October 18, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; .