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Atomistic simulation of hardening in bcc iron-based alloys caused by nanoprecipitates

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dc.contributor.authorKaravaev, A. V.
dc.contributor.authorChirkov, P. V.
dc.contributor.authorKichigin, R. M.
dc.contributor.authorDremov, V. V.
dc.date.accessioned2024-12-27T09:44:59Z
dc.date.available2024-12-27T09:44:59Z
dc.date.issued2023
dc.description.abstractThe paper presents results of atomistic simulations of hardening in model bcc iron-based alloys due to secondary phase precipitates formation. The simulations are based on shear stress relaxation technique and experimental data on morphology of precipitates. Atomistic methods were developed to reproduce the shear strength of bcc iron-based materials. The large-scale atomistic simulations were carried out for model binary alloys: Fe-Cr imitating low-carbon ferritic and ferritic-martensitic steels and Fe-Cu imitating low-carbon bainitic steel. A representative set of atomic structures is compiled with account for the chemical composition and concentration and size of secondary phase, comparable with those in steels of the considered classes and available experimental data on radiation and thermal induced precipitation. Obtained results on hardening were verified against experimental data and the dispersed barrier hardening model.
dc.identifier.citationAtomistic simulation of hardening in bcc iron-based alloys caused by nanoprecipitates / Karavaev, A.V. [et al.] // COMPUTATIONAL MATERIALS SCIENCE. - 2023. - 229. - 10.1016/j.commatsci.2023.112383
dc.identifier.doi10.1016/j.commatsci.2023.112383
dc.identifier.urihttps://www.doi.org/10.1016/j.commatsci.2023.112383
dc.identifier.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:001048321200001
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/29247
dc.relation.ispartofCOMPUTATIONAL MATERIALS SCIENCE
dc.subjectHardening (computing)
dc.subjectPrecipitation hardening
dc.subjectMolecular Dynamics Simulations
dc.subjectirradiation-resistant steels
dc.subjectoxide dispersion-strengthened steels
dc.subjectfusion materials
dc.titleAtomistic simulation of hardening in bcc iron-based alloys caused by nanoprecipitates
dc.typeArticle
dspace.entity.typePublication
oaire.citation.volume229
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