Kim, Jong Hyun Kwon, Yong Duk Yonathan, Parlindungan Hidayat, Ikhwan Lee, June Gunn Choi, Jung-Hae Lee, Seung-Cheol 2024-01-20T21:35:03Z 2024-01-20T21:35:03Z 2021-09-01 2009-04 0022-2461 https://pubs.kist.re.kr/handle/201004/132640 Silicon carbide is a prime candidate for plasma-facing materials in future fusion reactors. The formation energies of various interstitial configurations of helium and hydrogen atoms in beta-SiC were estimated based on density functional theory. Special consideration was given to the helium and hydrogen interstitials as the bubble seeds in beta-SiC. From an energetic point of view, only one helium atom could position itself into the tetrahedral sites. However, up to three hydrogen atoms could easily position themselves into the tetrahedral sites by forming a stable H-2 molecule or a 3H-trimer that was newly identified in this study. Based on the different behaviors of helium and hydrogen, an explanation is proposed for the experimental observations of bubble formation in irradiated beta-SiC. English SPRINGER IRRADIATION TEMPERATURE DIMENSIONAL STABILITY PROPERTY CHANGE H-2 MICROSTRUCTURE MOLECULES DAMAGE The energetics of helium and hydrogen atoms in beta-SiC: an ab initio approach Article 10.1007/s10853-008-3180-2 1 JOURNAL OF MATERIALS SCIENCE, v.44, no.7, pp.1828 - 1833 JOURNAL OF MATERIALS SCIENCE 44 7 1828 1833 scie scopus 000264485000020 2-s2.0-67349220137 Materials Science, Multidisciplinary Materials Science Article IRRADIATION TEMPERATURE DIMENSIONAL STABILITY PROPERTY CHANGE H-2 MICROSTRUCTURE MOLECULES DAMAGE SiC/SiC composite silicon carbide irradiation temperature dimensional stability microstructure