کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7964075 | 1514167 | 2016 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Formation, migration, and clustering energies of interstitial He in α-quartz and β-cristobalite
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی انرژی
انرژی هسته ای و مهندسی
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چکیده انگلیسی
Precipitation of implanted helium (He) is detrimental to many nuclear materials. A solid in which implanted He does not precipitate, but rather remains in solution and diffuses readily is potentially of interest for applications requiring resistance to He-induced damage. We use density functional theory (DFT) calculations to examine He interstitial formation, migration, and clustering energies in two SiO2 polymorphs: α-quartz and β-cristobalite. Our findings show greater He solubility and mobility in the latter than in the former. This difference appears to be due primarily to the unlike atomic-level structures of α-quartz and β-cristobalite, rather than their differing densities. Our findings also suggest that He is unlikely to cluster in either material. The behavior of He in α-quartz and β-cristobalite, and similar forms of silica make them promising materials for further investigation for potential use in applications requiring resistance to He-induced damage.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Nuclear Materials - Volume 479, October 2016, Pages 224-231
Journal: Journal of Nuclear Materials - Volume 479, October 2016, Pages 224-231
نویسندگان
Kan-Ju Lin, Hepeng Ding, Michael J. Demkowicz,