Assessing the magnetic order dependent gamma-surface of Cr-Co-Ni alloysShow others and affiliations
2021 (English)In: Journal of Materials Science & Technology, ISSN 1005-0302, Vol. 80, p. 66-74Article in journal (Refereed) Published
Abstract [en]
In order to efficiently explore the nearly infinite composition space in multicomponent solid solution alloys for reaching higher mechanical performance, it is important to establish predictive design strategies using computation-aided methods. Here, using ab initio calculations we systematically study the effects of magnetism and chemical composition on the generalized stacking fault energy surface (gamma-surface) of Cr-Co-Ni medium entropy alloys and show that both chemistry and the coupled magnetic state strongly affect the gamma-surface, consequently, the primary deformation modes. The relations among various stable and unstable stacking fault energies are revealed and discussed. The present findings are useful for studying the deformation behaviors of Cr-Co-Ni alloys and facilitate a density functional theory based design of transformation-induced plasticity and twinning-induced plasticity mechanisms in Cr-Co-Ni alloys.
Place, publisher, year, edition, pages
Elsevier BV , 2021. Vol. 80, p. 66-74
Keywords [en]
Cr-Co-Ni alloys, Stacking fault energy, Transformation-induced plasticity, Twinning-induced plasticity, Ab initio
National Category
Materials Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-296668DOI: 10.1016/j.jmst.2020.10.078ISI: 000656122300007Scopus ID: 2-s2.0-85099196379OAI: oai:DiVA.org:kth-296668DiVA, id: diva2:1570735
Note
QC 20210622
2021-06-222021-06-222022-06-25Bibliographically approved