Research output: Contribution to journal › Article › peer-review
Energetic Stability of Vacancy-Carbon Clusters in Solid Solution Alloys: The Fe-Cr-C Case. / Bonny, Giovanni; Bakaev, Alexander; Terentyev, Dmitry.
In: Physica Status Solidi (B), Vol. 256, No. 11, 1900130, 01.11.2019, p. 1-6.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Energetic Stability of Vacancy-Carbon Clusters in Solid Solution Alloys: The Fe-Cr-C Case
AU - Bonny, Giovanni
AU - Bakaev, Alexander
AU - Terentyev, Dmitry
N1 - Score=10
PY - 2019/11/1
Y1 - 2019/11/1
N2 - In carbon-containing alloys, the energetic stability of vacancy-carbon (v-C) clusters plays a key role in the post-irradiation damage recovery. So far, all interpretations of post-irradiation annealing experiments are based on the theoretical knowledge established for the iron-carbon alloy. For the interpretation of high-Cr steels, the stability of v-C clusters in the presence of a solid solution background is essential. Therefore, a simple and efficient model to estimate the stability of v-C clusters in random solid solution alloys is proposed. The model is parameterized for the Fe-Cr-C alloy using density functional theory. The results are discussed accounting for available experimental evidences.
AB - In carbon-containing alloys, the energetic stability of vacancy-carbon (v-C) clusters plays a key role in the post-irradiation damage recovery. So far, all interpretations of post-irradiation annealing experiments are based on the theoretical knowledge established for the iron-carbon alloy. For the interpretation of high-Cr steels, the stability of v-C clusters in the presence of a solid solution background is essential. Therefore, a simple and efficient model to estimate the stability of v-C clusters in random solid solution alloys is proposed. The model is parameterized for the Fe-Cr-C alloy using density functional theory. The results are discussed accounting for available experimental evidences.
KW - Damage recovery
KW - density functional theory
KW - high-Cr steels
KW - randaom alloys
UR - https://ecm.sckcen.be/OTCS/llisapi.dll/overview/36655404
U2 - 10.1002/pssb.201900130
DO - 10.1002/pssb.201900130
M3 - Article
VL - 256
SP - 1
EP - 6
JO - Physica Status Solidi (B)
JF - Physica Status Solidi (B)
SN - 0370-1972
IS - 11
M1 - 1900130
ER -
ID: 5867077