Tuning thestructural and mechanicalproperties ofSiC-Li andSiC-Na alloys for aerospace application: an abinitiostudy

Abstract

Aluminum(Al)anditsalloysarepopularintheaerospaceindustryduetotheirhighstrength-to weightratio, corrosionresistance,andductility.However,theseproperties(extremeductilityand malleability) can compromisecorrosionresistance,makingthemsusceptibletodentsandscratches. Silicon Carbide(SiC)isapromisingalternativetoAlanditalloysduetoitshigherYoungsmodulus andexcellentwearresistance,althoughithasthedrawbacksofbrittlenessandhigherdensity.This studyinvestigated thestructuralandmechanicalpropertiesofSiCalloyedwithlithium(SiC-Li)or sodium(SiC-Na)usingabinitiocalculationswiththeaimoftuningthestructuralandmechanical properties ofSiC.ModelingwasdoneusingBuraisoftware,whichoffersafriendlygraphicaluser interface for QuantumESPRESSO,thusfacilitatingthecreationofinputfiles,visualizationofcrystal structures andanalysisofresults.TheresultsfromthisstudyshowedthattheadditionofLiandNa loweredthedensityaswellasthemechanicalpropertiesofSiCbutstillbeingfavorablybetterthan thoseofAlanditsalloys,suggestingthatthemodeledalloyscouldpotentiallyreplacethetraditionalAl anditsalloysintheaerospaceindustry.Furtherexperimentalstudiesareneededtovalidatethese findingsandtoexplorethepossibilityofsimultaneousalloyingofSiCwithbothLiandNafor enhancedperformance.