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Effect of isotropic stress on dislocation bias factor in bcc iron: an atomistic study
KTH, School of Engineering Sciences (SCI), Physics, Reactor Physics.
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2018 (English)In: Philosophical Magazine, ISSN 1478-6435, E-ISSN 1478-6443, Vol. 98, no 1, p. 54-74Article in journal (Refereed) Published
Abstract [en]

The effect of externally applied stress on the dislocation bias factor (BF) in bcc iron has been studied using a combination of atomistic static calculations and finite element integration. Three kinds of dislocations were considered, namely, a0/2〈1 1 1〉{1 1 0} screw, a0/2〈1 1 1〉{1 1 0} edge and a0〈1 0 0〉{0 0 1} edge dislocations. The computations reveal that the isotropic crystal expansion leads to an increasing or constant dislocation bias, depending on the Burgers vector and type of dislocation. On the other hand, compressive stress reduces the dislocation bias for all the dislocations studied. Variation of the dislocation BF depending on dislocation type and Burgers vector is discussed by analysing the modification of the interaction energy landscape and the capture efficiency values for the vacancy and self-interstitial atom. 

Place, publisher, year, edition, pages
Taylor and Francis Ltd. , 2018. Vol. 98, no 1, p. 54-74
Keywords [en]
dislocation bias factor, external stress, Ferritic steels, molecular statics, Compressive stress, Dislocations (crystals), Ferritic steel, Screw dislocations, Atomistic studies, Bias factor, Capture efficiency, Crystal expansion, Interaction energies, Self-interstitial atoms, Edge dislocations
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-223184DOI: 10.1080/14786435.2017.1390325ISI: 000428264800004Scopus ID: 2-s2.0-85032657074OAI: oai:DiVA.org:kth-223184DiVA, id: diva2:1186371
Note

Export Date: 13 February 2018; Article; Correspondence Address: Bakaev, A.; Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-RossendorfGermany; email: abakaev@sckcen.be; Funding details: 604862, FP7, Seventh Framework Programme; Funding details: 633053, FP7, Seventh Framework Programme; Funding details: EC, European Commission

Available from: 2018-02-28 Created: 2018-02-28 Last updated: 2018-04-11Bibliographically approved

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Olsson, Pär

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