Stability and mobility of self-interstitial atoms and their clusters in Fe-Cr alloys: an atomic-level study

Research output: Contribution to report/book/conference proceedings › In-proceedings paper

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Stability and mobility of self-interstitial atoms and their clusters in Fe-Cr alloys: an atomic-level study. / Terentyev, Dmitry; Malerba, Lorenzo; Klaver, Peter; Olsson, Pär; Bonny, Giovanni (Peer reviewer).

Joint International Topical Meeting on Mathematics & Computation and Supercomputing in Nuclear Applications. LaGrange Park, IL, United States, 2007.

Research output: Contribution to report/book/conference proceedings › In-proceedings paper

Harvard

Terentyev, D, Malerba, L, Klaver, P, Olsson, P & Bonny, G 2007, Stability and mobility of self-interstitial atoms and their clusters in Fe-Cr alloys: an atomic-level study. in Joint International Topical Meeting on Mathematics & Computation and Supercomputing in Nuclear Applications. LaGrange Park, IL, United States, Joint International Topical Meeting on Mathematics & Computation and Supercomputing in Nuclear Applications, Monterey, CA, United States, 2007-04-15.

APA

Terentyev, D., Malerba, L., Klaver, P., Olsson, P., & Bonny, G. (2007). Stability and mobility of self-interstitial atoms and their clusters in Fe-Cr alloys: an atomic-level study. In Joint International Topical Meeting on Mathematics & Computation and Supercomputing in Nuclear Applications LaGrange Park, IL, United States.

Vancouver

Terentyev D, Malerba L, Klaver P, Olsson P, Bonny G. Stability and mobility of self-interstitial atoms and their clusters in Fe-Cr alloys: an atomic-level study. In Joint International Topical Meeting on Mathematics & Computation and Supercomputing in Nuclear Applications. LaGrange Park, IL, United States. 2007

Author

Terentyev, Dmitry ; Malerba, Lorenzo ; Klaver, Peter ; Olsson, Pär ; Bonny, Giovanni. / Stability and mobility of self-interstitial atoms and their clusters in Fe-Cr alloys: an atomic-level study. Joint International Topical Meeting on Mathematics & Computation and Supercomputing in Nuclear Applications. LaGrange Park, IL, United States, 2007.

Bibtex - Download

@inproceedings{daa6f517409f49008d42f4a1b7f44813,
title = "Stability and mobility of self-interstitial atoms and their clusters in Fe-Cr alloys: an atomic-level study",
abstract = "We used DFT calculations and a recently developed empirical potential for FeCr to study in detail the stability and mobility of single-SIA and SIA clusters in FeCr alloys of different concentrations, up to 15{\%}Cr. We show that the presence of Cr creates local trapping configurations that can significantly reduce the mobility of single SIA and SIA clusters, thereby explaining a number of experimental observations. The obtained results provide quantitative estimates of this effect for different FeCr compositions.",
keywords = "Fe-Cr alloys, self-interstitials, interstitial clusters, mobility, atomistic computer simulation",
author = "Dmitry Terentyev and Lorenzo Malerba and Peter Klaver and P{\"a}r Olsson and Giovanni Bonny",
note = "Score = 1",
year = "2007",
month = "4",
language = "English",
booktitle = "Joint International Topical Meeting on Mathematics & Computation and Supercomputing in Nuclear Applications",

}

RIS - Download

TY - GEN

T1 - Stability and mobility of self-interstitial atoms and their clusters in Fe-Cr alloys: an atomic-level study

AU - Terentyev, Dmitry

AU - Malerba, Lorenzo

AU - Klaver, Peter

AU - Olsson, Pär

A2 - Bonny, Giovanni

N1 - Score = 1

PY - 2007/4

Y1 - 2007/4

N2 - We used DFT calculations and a recently developed empirical potential for FeCr to study in detail the stability and mobility of single-SIA and SIA clusters in FeCr alloys of different concentrations, up to 15%Cr. We show that the presence of Cr creates local trapping configurations that can significantly reduce the mobility of single SIA and SIA clusters, thereby explaining a number of experimental observations. The obtained results provide quantitative estimates of this effect for different FeCr compositions.

AB - We used DFT calculations and a recently developed empirical potential for FeCr to study in detail the stability and mobility of single-SIA and SIA clusters in FeCr alloys of different concentrations, up to 15%Cr. We show that the presence of Cr creates local trapping configurations that can significantly reduce the mobility of single SIA and SIA clusters, thereby explaining a number of experimental observations. The obtained results provide quantitative estimates of this effect for different FeCr compositions.

KW - Fe-Cr alloys

KW - self-interstitials

KW - interstitial clusters

KW - mobility

KW - atomistic computer simulation

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_83819

UR - http://knowledgecentre.sckcen.be/so2/bibref/4513

M3 - In-proceedings paper

BT - Joint International Topical Meeting on Mathematics & Computation and Supercomputing in Nuclear Applications

CY - LaGrange Park, IL, United States

ER -

ID: 80702