In-cascade interstitial cluster formation in concentrated ferritic alloys with strong solute-interstitial interaction: a molecular dynamics study

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In-cascade interstitial cluster formation in concentrated ferritic alloys with strong solute-interstitial interaction: a molecular dynamics study. / Terentyev, Dmitry; Hou, M; Malerba, Lorenzo.

In: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 228, No. 1-4, 01.2005, p. 156-162.

Research output: Contribution to journalArticlepeer-review

Harvard

Terentyev, D, Hou, M & Malerba, L 2005, 'In-cascade interstitial cluster formation in concentrated ferritic alloys with strong solute-interstitial interaction: a molecular dynamics study', Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol. 228, no. 1-4, pp. 156-162. https://doi.org/10.1016/j.nimb.2004.10.039

APA

Terentyev, D., Hou, M., & Malerba, L. (2005). In-cascade interstitial cluster formation in concentrated ferritic alloys with strong solute-interstitial interaction: a molecular dynamics study. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 228(1-4), 156-162. https://doi.org/10.1016/j.nimb.2004.10.039

Vancouver

Terentyev D, Hou M, Malerba L. In-cascade interstitial cluster formation in concentrated ferritic alloys with strong solute-interstitial interaction: a molecular dynamics study. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 2005 Jan;228(1-4):156-162. https://doi.org/10.1016/j.nimb.2004.10.039

Author

Terentyev, Dmitry ; Hou, M ; Malerba, Lorenzo. / In-cascade interstitial cluster formation in concentrated ferritic alloys with strong solute-interstitial interaction: a molecular dynamics study. In: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 2005 ; Vol. 228, No. 1-4. pp. 156-162.

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@article{861bddbbc3824bba83f6ad54678cd3d2,
title = "In-cascade interstitial cluster formation in concentrated ferritic alloys with strong solute-interstitial interaction: a molecular dynamics study",
abstract = "Molecular dynamics simulations of displacement cascades up to 40 keV have been performed using an EAM potential that mimics Fe-Cr alloys, by favouring interstitial configurations containing solute atoms. Both pure {\'a} Fe and Fe 10at%Cr alloys were studied. The interstitial population at the end of the cascade was analysed from the standpoint of clustered fraction and chemical nature of the interstitial atoms. For pure {\'a} Fe the results obtained are comparable with previous work. Two are the main effects of the presence of a high concentration of solute atoms strongly interacting with interstitials. First, a large number of solute atoms in interstitial position, mostly isolated, are found, in a proportion far above the average solute concentration in the alloy. Secondly, interstitial clusters containing a fraction of solute interstitial atoms always larger than the average solute concentration in the alloy are produced and this solute aggregation inside clusters may be a thermal spike effect. However, the total number of interstitial atoms produced in the cascade and even the in-cascade interstitial clustered fraction do not appear to be significantly influenced by the presence of solute atoms in high concentration, possibly because the masses of Fe and Cr are very similar.",
keywords = "Molecular dynamics, Fe-Cr alloys, displacement cascades, point-defect clusters",
author = "Dmitry Terentyev and M Hou and Lorenzo Malerba",
note = "Score = 10",
year = "2005",
month = jan,
doi = "10.1016/j.nimb.2004.10.039",
language = "English",
volume = "228",
pages = "156--162",
journal = "Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms",
issn = "0168-583X",
publisher = "Elsevier",
number = "1-4",

}

RIS - Download

TY - JOUR

T1 - In-cascade interstitial cluster formation in concentrated ferritic alloys with strong solute-interstitial interaction: a molecular dynamics study

AU - Terentyev, Dmitry

AU - Hou, M

AU - Malerba, Lorenzo

N1 - Score = 10

PY - 2005/1

Y1 - 2005/1

N2 - Molecular dynamics simulations of displacement cascades up to 40 keV have been performed using an EAM potential that mimics Fe-Cr alloys, by favouring interstitial configurations containing solute atoms. Both pure á Fe and Fe 10at%Cr alloys were studied. The interstitial population at the end of the cascade was analysed from the standpoint of clustered fraction and chemical nature of the interstitial atoms. For pure á Fe the results obtained are comparable with previous work. Two are the main effects of the presence of a high concentration of solute atoms strongly interacting with interstitials. First, a large number of solute atoms in interstitial position, mostly isolated, are found, in a proportion far above the average solute concentration in the alloy. Secondly, interstitial clusters containing a fraction of solute interstitial atoms always larger than the average solute concentration in the alloy are produced and this solute aggregation inside clusters may be a thermal spike effect. However, the total number of interstitial atoms produced in the cascade and even the in-cascade interstitial clustered fraction do not appear to be significantly influenced by the presence of solute atoms in high concentration, possibly because the masses of Fe and Cr are very similar.

AB - Molecular dynamics simulations of displacement cascades up to 40 keV have been performed using an EAM potential that mimics Fe-Cr alloys, by favouring interstitial configurations containing solute atoms. Both pure á Fe and Fe 10at%Cr alloys were studied. The interstitial population at the end of the cascade was analysed from the standpoint of clustered fraction and chemical nature of the interstitial atoms. For pure á Fe the results obtained are comparable with previous work. Two are the main effects of the presence of a high concentration of solute atoms strongly interacting with interstitials. First, a large number of solute atoms in interstitial position, mostly isolated, are found, in a proportion far above the average solute concentration in the alloy. Secondly, interstitial clusters containing a fraction of solute interstitial atoms always larger than the average solute concentration in the alloy are produced and this solute aggregation inside clusters may be a thermal spike effect. However, the total number of interstitial atoms produced in the cascade and even the in-cascade interstitial clustered fraction do not appear to be significantly influenced by the presence of solute atoms in high concentration, possibly because the masses of Fe and Cr are very similar.

KW - Molecular dynamics

KW - Fe-Cr alloys

KW - displacement cascades

KW - point-defect clusters

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_27134

UR - http://knowledgecentre.sckcen.be/so2/bibref/2316

U2 - 10.1016/j.nimb.2004.10.039

DO - 10.1016/j.nimb.2004.10.039

M3 - Article

VL - 228

SP - 156

EP - 162

JO - Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

JF - Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

SN - 0168-583X

IS - 1-4

ER -

ID: 226744