Tuning the structural and mechanical properties of SiC-Li and SiC-Na alloys for aerospace application: an ab initio study
Aluminum (Al) and its alloys are popular in the aerospace industry due to their high strength-to-weight ratio, corrosion resistance, and ductility. However, these properties (extreme ductility and malleability) can compromise corrosion resistance, making them susceptible to dents and scratches. Sili...
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| Language: | English |
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IOP Publishing
2024-01-01
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| Series: | Journal of Physics Communications |
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| Online Access: | https://doi.org/10.1088/2399-6528/ad756f |
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| author | Ochieng Victor Otieno Nicholas Ongwen Calford Otieno |
| author_facet | Ochieng Victor Otieno Nicholas Ongwen Calford Otieno |
| author_sort | Ochieng Victor Otieno |
| collection | DOAJ |
| description | Aluminum (Al) and its alloys are popular in the aerospace industry due to their high strength-to-weight ratio, corrosion resistance, and ductility. However, these properties (extreme ductility and malleability) can compromise corrosion resistance, making them susceptible to dents and scratches. Silicon Carbide (SiC) is a promising alternative to Al and it alloys due to its higher Youngs modulus and excellent wear resistance, although it has the drawbacks of brittleness and higher density. This study investigated the structural and mechanical properties of SiC alloyed with lithium (SiC-Li) or sodium (SiC-Na) using ab initio calculations with the aim of tuning the structural and mechanical properties of SiC. Modeling was done using Burai software, which offers a friendly graphical user interface for Quantum ESPRESSO, thus facilitating the creation of input files, visualization of crystal structures and analysis of results. The results from this study showed that the addition of Li and Na lowered the density as well as the mechanical properties of SiC but still being favorably better than those of Al and its alloys, suggesting that the modeled alloys could potentially replace the traditional Al and its alloys in the aerospace industry. Further experimental studies are needed to validate these findings and to explore the possibility of simultaneous alloying of SiC with both Li and Na for enhanced performance. |
| format | Article |
| id | doaj-art-141748decc134dbb981f02dfcff29276 |
| institution | OA Journals |
| issn | 2399-6528 |
| language | English |
| publishDate | 2024-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | Journal of Physics Communications |
| spelling | doaj-art-141748decc134dbb981f02dfcff292762025-08-20T02:18:04ZengIOP PublishingJournal of Physics Communications2399-65282024-01-0181111500110.1088/2399-6528/ad756fTuning the structural and mechanical properties of SiC-Li and SiC-Na alloys for aerospace application: an ab initio studyOchieng Victor Otieno0https://orcid.org/0009-0009-8129-2976Nicholas Ongwen1https://orcid.org/0000-0001-9735-9762Calford Otieno2https://orcid.org/0000-0002-0694-6513Kisii University , School of Pure and Applied Sciences, Department of Physics PO Box 408–40200, Kisii, KenyaTom Mboya University , School of Biological and Physical Sciences, PO Box 199–40300, Homa Bay, KenyaKisii University , School of Pure and Applied Sciences, Department of Physics PO Box 408–40200, Kisii, KenyaAluminum (Al) and its alloys are popular in the aerospace industry due to their high strength-to-weight ratio, corrosion resistance, and ductility. However, these properties (extreme ductility and malleability) can compromise corrosion resistance, making them susceptible to dents and scratches. Silicon Carbide (SiC) is a promising alternative to Al and it alloys due to its higher Youngs modulus and excellent wear resistance, although it has the drawbacks of brittleness and higher density. This study investigated the structural and mechanical properties of SiC alloyed with lithium (SiC-Li) or sodium (SiC-Na) using ab initio calculations with the aim of tuning the structural and mechanical properties of SiC. Modeling was done using Burai software, which offers a friendly graphical user interface for Quantum ESPRESSO, thus facilitating the creation of input files, visualization of crystal structures and analysis of results. The results from this study showed that the addition of Li and Na lowered the density as well as the mechanical properties of SiC but still being favorably better than those of Al and its alloys, suggesting that the modeled alloys could potentially replace the traditional Al and its alloys in the aerospace industry. Further experimental studies are needed to validate these findings and to explore the possibility of simultaneous alloying of SiC with both Li and Na for enhanced performance.https://doi.org/10.1088/2399-6528/ad756ftuningstructuralmechanicalaerospace industryalloyingformation energy |
| spellingShingle | Ochieng Victor Otieno Nicholas Ongwen Calford Otieno Tuning the structural and mechanical properties of SiC-Li and SiC-Na alloys for aerospace application: an ab initio study Journal of Physics Communications tuning structural mechanical aerospace industry alloying formation energy |
| title | Tuning the structural and mechanical properties of SiC-Li and SiC-Na alloys for aerospace application: an ab initio study |
| title_full | Tuning the structural and mechanical properties of SiC-Li and SiC-Na alloys for aerospace application: an ab initio study |
| title_fullStr | Tuning the structural and mechanical properties of SiC-Li and SiC-Na alloys for aerospace application: an ab initio study |
| title_full_unstemmed | Tuning the structural and mechanical properties of SiC-Li and SiC-Na alloys for aerospace application: an ab initio study |
| title_short | Tuning the structural and mechanical properties of SiC-Li and SiC-Na alloys for aerospace application: an ab initio study |
| title_sort | tuning the structural and mechanical properties of sic li and sic na alloys for aerospace application an ab initio study |
| topic | tuning structural mechanical aerospace industry alloying formation energy |
| url | https://doi.org/10.1088/2399-6528/ad756f |
| work_keys_str_mv | AT ochiengvictorotieno tuningthestructuralandmechanicalpropertiesofsicliandsicnaalloysforaerospaceapplicationanabinitiostudy AT nicholasongwen tuningthestructuralandmechanicalpropertiesofsicliandsicnaalloysforaerospaceapplicationanabinitiostudy AT calfordotieno tuningthestructuralandmechanicalpropertiesofsicliandsicnaalloysforaerospaceapplicationanabinitiostudy |