Energetic Stability of Vacancy-Carbon Clusters in Solid Solution Alloys: The Fe-Cr-C Case

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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.

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@article{520cc71c97f34f348ba835e3d53e1e23,
title = "Energetic Stability of Vacancy-Carbon Clusters in Solid Solution Alloys: The Fe-Cr-C Case",
abstract = "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.",
keywords = "Damage recovery, density functional theory, high-Cr steels, randaom alloys",
author = "Giovanni Bonny and Alexander Bakaev and Dmitry Terentyev",
note = "Score=10",
year = "2019",
month = "11",
day = "1",
doi = "10.1002/pssb.201900130",
language = "English",
volume = "256",
pages = "1--6",
journal = "Physica Status Solidi (B)",
issn = "0370-1972",
publisher = "Wiley - John Wiley & Sons, Ltd",
number = "11",

}

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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