Intermetallic studies on the mechanical and dynamical properties of Fe1-xYxAl (Y = Pt and Ru) Alloys
First-principles calculations were performed to determine the effect of Pt and Ru ternary alloying on structural, mechanical and dynamical properties of the binary Pm-3m-FeAl. FeAl based alloys are important for high-temperature applications due to their high oxygen corrosion resistance. Moreover, t...
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| Format: | Article |
| Language: | English |
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EDP Sciences
2022-01-01
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| Series: | MATEC Web of Conferences |
| Subjects: | |
| Online Access: | https://www.matec-conferences.org/articles/matecconf/pdf/2022/17/matecconf_rapdasa2022_09006.pdf |
| _version_ | 1811185094580240384 |
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| author | Mkhonto Chrestinah S. Lethole Ndanduleni L. Ngoepe Phuti E. Chauke Hasani R. |
| author_facet | Mkhonto Chrestinah S. Lethole Ndanduleni L. Ngoepe Phuti E. Chauke Hasani R. |
| author_sort | Mkhonto Chrestinah S. |
| collection | DOAJ |
| description | First-principles calculations were performed to determine the effect of Pt and Ru ternary alloying on structural, mechanical and dynamical properties of the binary Pm-3m-FeAl. FeAl based alloys are important for high-temperature applications due to their high oxygen corrosion resistance. Moreover, they are a major driver as a component for better infrastructure, industrial coating, and the improvement of automotive parts. The density functional theory (DFT) method within the generalized gradient approximation (GGA) approach was employed to perform all the calculations. The equilibrium cell parameters of the binary FeAl were predicted to be more than 90% in good agreement with the experimental data, warranting the validity of the approach employed. We found that Pt and Ru ternary alloying on FeAl significantly enhances the mechanical hardness, ductility and dynamical stability. |
| first_indexed | 2024-04-11T13:24:53Z |
| format | Article |
| id | doaj.art-87e936a159fc4e448d2f9e4d0ff63942 |
| institution | Directory Open Access Journal |
| issn | 2261-236X |
| language | English |
| last_indexed | 2024-04-11T13:24:53Z |
| publishDate | 2022-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | MATEC Web of Conferences |
| spelling | doaj.art-87e936a159fc4e448d2f9e4d0ff639422022-12-22T04:22:07ZengEDP SciencesMATEC Web of Conferences2261-236X2022-01-013700900610.1051/matecconf/202237009006matecconf_rapdasa2022_09006Intermetallic studies on the mechanical and dynamical properties of Fe1-xYxAl (Y = Pt and Ru) AlloysMkhonto Chrestinah S.0Lethole Ndanduleni L.1Ngoepe Phuti E.2Chauke Hasani R.3Materials Modelling Centre, School of Physical and Mineral Sciences, Department of Physics, University of LimpopoDepartment of Physics, University of Fort HareMaterials Modelling Centre, School of Physical and Mineral Sciences, Department of Physics, University of LimpopoMaterials Modelling Centre, School of Physical and Mineral Sciences, Department of Physics, University of LimpopoFirst-principles calculations were performed to determine the effect of Pt and Ru ternary alloying on structural, mechanical and dynamical properties of the binary Pm-3m-FeAl. FeAl based alloys are important for high-temperature applications due to their high oxygen corrosion resistance. Moreover, they are a major driver as a component for better infrastructure, industrial coating, and the improvement of automotive parts. The density functional theory (DFT) method within the generalized gradient approximation (GGA) approach was employed to perform all the calculations. The equilibrium cell parameters of the binary FeAl were predicted to be more than 90% in good agreement with the experimental data, warranting the validity of the approach employed. We found that Pt and Ru ternary alloying on FeAl significantly enhances the mechanical hardness, ductility and dynamical stability.https://www.matec-conferences.org/articles/matecconf/pdf/2022/17/matecconf_rapdasa2022_09006.pdfstabilityductilityhardnessphonon dispersion curve |
| spellingShingle | Mkhonto Chrestinah S. Lethole Ndanduleni L. Ngoepe Phuti E. Chauke Hasani R. Intermetallic studies on the mechanical and dynamical properties of Fe1-xYxAl (Y = Pt and Ru) Alloys MATEC Web of Conferences stability ductility hardness phonon dispersion curve |
| title | Intermetallic studies on the mechanical and dynamical properties of Fe1-xYxAl (Y = Pt and Ru) Alloys |
| title_full | Intermetallic studies on the mechanical and dynamical properties of Fe1-xYxAl (Y = Pt and Ru) Alloys |
| title_fullStr | Intermetallic studies on the mechanical and dynamical properties of Fe1-xYxAl (Y = Pt and Ru) Alloys |
| title_full_unstemmed | Intermetallic studies on the mechanical and dynamical properties of Fe1-xYxAl (Y = Pt and Ru) Alloys |
| title_short | Intermetallic studies on the mechanical and dynamical properties of Fe1-xYxAl (Y = Pt and Ru) Alloys |
| title_sort | intermetallic studies on the mechanical and dynamical properties of fe1 xyxal y pt and ru alloys |
| topic | stability ductility hardness phonon dispersion curve |
| url | https://www.matec-conferences.org/articles/matecconf/pdf/2022/17/matecconf_rapdasa2022_09006.pdf |
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