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The effect of Si and Ge on the elastic properties and plastic deformation modes in high- and medium-entropy alloys
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. Department of Industrial Production, Royal Institute of Technology, Stockholm SE-100 44, Swede.ORCID iD: 0000-0002-6794-6744
Taizhou Univ, Dept Phys, Taizhou 318000, Peoples R China..
Tohoku Univ, Inst Mat Res, 2-1-1 Katahira, Sendai, Miyagi 9808577, Japan..
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. Uppsala Univ, Div Mat Theory, Dept Phys & Mat Sci, POB 516, SE-75120 Uppsala, Sweden. Res Inst Solid State Phys & Opt, Wigner Res Ctr Phys, POB 49, H-1525 Budapest, Hungary..ORCID iD: 0000-0003-2832-3293
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2021 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 119, no 14, p. 141904-, article id 141904Article in journal (Refereed) Published
Abstract [en]

We employ quantum mechanics modeling to investigate the effects of Ge and Si solute elements on the elastic properties and plastic deformation modes in two families of high-entropy alloys, CoCrFeMnNi and CoCrFeNi, and medium-entropy alloy, CoCrNi. The static lattice constants and single-crystal elastic parameters are calculated for these three face-centered-cubic random solid solutions as a function of composition. Using the elastic constants, we analyzed mechanical stability, derived polycrystalline modulus, and evaluated solid-solution strengthening for these multi-component alloys. We fabricated (CoCrFeNi)(100-x) Si-x (x = 0, 4, 6) and measured the polycrystalline modulus and hardness. The calculated trends for Young's and shear modulus as well as lattice parameters were verified by our measurements. The dependence of generalized stacking fault energy on Ge and Si was studied in detail for the considered multi-component alloys. The competition between various plastic deformation modes was revealed based on effective energy barriers. Our calculations predict that the activated deformation modes in all the alloys studied here are the stacking fault mode (dominant) and the full-slip mode (secondary), and as the concentrations of Ge and Si increase, twining becomes favored.

Place, publisher, year, edition, pages
AIP Publishing , 2021. Vol. 119, no 14, p. 141904-, article id 141904
National Category
Condensed Matter Physics
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URN: urn:nbn:se:kth:diva-309317DOI: 10.1063/5.0064939ISI: 000754604800025Scopus ID: 2-s2.0-85116857888OAI: oai:DiVA.org:kth-309317DiVA, id: diva2:1641533
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QC 20220302

Available from: 2022-03-02 Created: 2022-03-02 Last updated: 2022-06-25Bibliographically approved

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Lizarrága, RaquelVitos, LeventeLi, Xiaoqing

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