The effect of prolonged irradiation on defect production and ordering in Fe-Cr and Fe-Ni alloys

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The effect of prolonged irradiation on defect production and ordering in Fe-Cr and Fe-Ni alloys. / Vörtler, Katharina; Juslin, Niklas; Bonny, Giovanni; Malerba, Lorenzo; Nordlund, Kai; Terentyev, Dmitry (Peer reviewer).

In: Journal of Physics: Condensed Matter, Vol. 23, No. 35, 16.08.2011, p. 355007-13.

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Vörtler, Katharina ; Juslin, Niklas ; Bonny, Giovanni ; Malerba, Lorenzo ; Nordlund, Kai ; Terentyev, Dmitry. / The effect of prolonged irradiation on defect production and ordering in Fe-Cr and Fe-Ni alloys. In: Journal of Physics: Condensed Matter. 2011 ; Vol. 23, No. 35. pp. 355007-13.

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@article{87a60b01e7144267a7a93c491d841048,
title = "The effect of prolonged irradiation on defect production and ordering in Fe-Cr and Fe-Ni alloys",
abstract = "In this work Fe–Cr alloys (with 5, 6.25, 10 and 15{\%} Cr content) and Fe–Ni alloys (with 10, 40, 50 and 75{\%} Ni content) were used as model materials for studying the features of steels from a radiation damage perspective. The effect of prolonged irradiation (neglecting diffusion), i.e. the overlapping of single 5 keV displacement cascade events, was studied by molecular dynamics simulation. Up to 200 single cascades were simulated, randomly induced in sequence in one simulation cell, to study the difference between fcc and bcc lattices, as well as initially ordered and random crystals. With increasing numbers of cascades we observed a saturation of Frenkel pairs in the bcc alloys. In fcc Fe–Ni, in contrast, we saw a continuous accumulation of defects: the growth of stacking-fault tetrahedra and a larger number of self-interstitial atom clusters were seen in contrast to bcc alloys. For all simulations the defect clusters and the short range order parameter were analysed in detail depending on the number of cascades in the crystal. We also report the modification of the repulsive part of the Fe–Ni interaction potential, which was needed to study non-equilibrium processes.",
keywords = "Primary damage, cascade overlap, FeCr alloys, FeNi alloys",
author = "Katharina V{\"o}rtler and Niklas Juslin and Giovanni Bonny and Lorenzo Malerba and Kai Nordlund and Dmitry Terentyev",
note = "Score = 10",
year = "2011",
month = "8",
day = "16",
doi = "10.1088/0953-8984/23/35/355007",
language = "English",
volume = "23",
pages = "355007--13",
journal = "Journal of Physics: Condensed Matter",
issn = "0953-8984",
publisher = "IOP - IOP Publishing",
number = "35",

}

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TY - JOUR

T1 - The effect of prolonged irradiation on defect production and ordering in Fe-Cr and Fe-Ni alloys

AU - Vörtler, Katharina

AU - Juslin, Niklas

AU - Bonny, Giovanni

AU - Malerba, Lorenzo

AU - Nordlund, Kai

A2 - Terentyev, Dmitry

N1 - Score = 10

PY - 2011/8/16

Y1 - 2011/8/16

N2 - In this work Fe–Cr alloys (with 5, 6.25, 10 and 15% Cr content) and Fe–Ni alloys (with 10, 40, 50 and 75% Ni content) were used as model materials for studying the features of steels from a radiation damage perspective. The effect of prolonged irradiation (neglecting diffusion), i.e. the overlapping of single 5 keV displacement cascade events, was studied by molecular dynamics simulation. Up to 200 single cascades were simulated, randomly induced in sequence in one simulation cell, to study the difference between fcc and bcc lattices, as well as initially ordered and random crystals. With increasing numbers of cascades we observed a saturation of Frenkel pairs in the bcc alloys. In fcc Fe–Ni, in contrast, we saw a continuous accumulation of defects: the growth of stacking-fault tetrahedra and a larger number of self-interstitial atom clusters were seen in contrast to bcc alloys. For all simulations the defect clusters and the short range order parameter were analysed in detail depending on the number of cascades in the crystal. We also report the modification of the repulsive part of the Fe–Ni interaction potential, which was needed to study non-equilibrium processes.

AB - In this work Fe–Cr alloys (with 5, 6.25, 10 and 15% Cr content) and Fe–Ni alloys (with 10, 40, 50 and 75% Ni content) were used as model materials for studying the features of steels from a radiation damage perspective. The effect of prolonged irradiation (neglecting diffusion), i.e. the overlapping of single 5 keV displacement cascade events, was studied by molecular dynamics simulation. Up to 200 single cascades were simulated, randomly induced in sequence in one simulation cell, to study the difference between fcc and bcc lattices, as well as initially ordered and random crystals. With increasing numbers of cascades we observed a saturation of Frenkel pairs in the bcc alloys. In fcc Fe–Ni, in contrast, we saw a continuous accumulation of defects: the growth of stacking-fault tetrahedra and a larger number of self-interstitial atom clusters were seen in contrast to bcc alloys. For all simulations the defect clusters and the short range order parameter were analysed in detail depending on the number of cascades in the crystal. We also report the modification of the repulsive part of the Fe–Ni interaction potential, which was needed to study non-equilibrium processes.

KW - Primary damage

KW - cascade overlap

KW - FeCr alloys

KW - FeNi alloys

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_115094

UR - http://knowledgecentre.sckcen.be/so2/bibref/8222

U2 - 10.1088/0953-8984/23/35/355007

DO - 10.1088/0953-8984/23/35/355007

M3 - Article

VL - 23

SP - 355007

EP - 355013

JO - Journal of Physics: Condensed Matter

JF - Journal of Physics: Condensed Matter

SN - 0953-8984

IS - 35

ER -

ID: 337971