Al-Mg-Si-(Cu)合金晶间腐蚀机理的模拟研究的综述报告

Al-Mg-Si-(Cu)合金晶间腐蚀机理的模拟研究的综述报告Abstract:Al-Mg-Si-(Cu)alloysarewidelyusedinvariousfieldsduetotheirexcellentmechanicalproperties,goodformability,andhighcorrosionresistance.However,intergranularcorrosion(IGC)ofAl-Mg-Si-(Cu)alloysisstillamajorproblem,especiallyincertainenvironments,suchasseawater.Inrecentyears,manyresearchershaveconductedsimulationstudiesontheIGCmechanismofAl-Mg-Si-(Cu)alloysusingadvancedcomputationalmethods.ThispaperprovidesacomprehensivereviewofthesimulationstudiesontheIGCmechanismofAl-Mg-Si-(Cu)alloys.Introduction:Al-Mg-Si-(Cu)alloyshavebeenwidelyusedinvariousfields,suchasaerospace,transportation,andconstruction,duetotheirexcellentmechanicalproperties,goodformability,andhighcorrosionresistance.However,intergranularcorrosion(IGC)isstillamajorproblemforAl-Mg-Si-(Cu)alloys,especiallyincertainenvironments,suchasseawater.IGCcansignificantlyreducethemechanicalstrengthandstructuralintegrityofthealloys,andleadtocatastrophicfailures.Therefore,itisimportanttounderstandthemechanismofIGCforAl-Mg-Si-(Cu)alloys.Inrecentyears,manyresearchershaveconductedsimulationstudiesontheIGCmechanismofAl-Mg-Si-(Cu)alloysusingadvancedcomputationalmethods,suchasmoleculardynamics(MD),densityfunctionaltheory(DFT),andfiniteelementanalysis(FEA).ThesesimulationstudieshaveprovidedvaluableinsightsintotheIGCmechanismofAl-Mg-Si-(Cu)alloys,whichcanaidinthedesignanddevelopmentofcorrosion-resistantalloys.SimulationstudiesonIGCmechanism:TheIGCmechanismofAl-Mg-Si-(Cu)alloysiscomplexandinvolvesmanyfactors,suchasgrainboundary(GB)character,precipitatedistribution,andsolutesegregation.SimulationstudieshavefocusedonvariousfactorsthatcontributetoIGC,andthefollowingisabriefoverviewofthekeyfindingsfromthesestudies.GBcharacter:GBcharacterplaysanimportantroleintheIGCmechanismofAl-Mg-Si-(Cu)alloys.SimulationstudieshaveshownthattheenergyofcertainGBsislowerthanothers,andtheselow-energyGBsaremorepronetoIGC.Forexample,MDsimulationshaveshownthatΣ3andΣ9GBshavelowerenergyandaremoresusceptibletoIGCcomparedtootherGBs.Precipitatedistribution:Precipitates,suchasMg2SiandCuAl2,cansignificantlyaffecttheIGCresistanceofAl-Mg-Si-(Cu)alloys.SimulationstudieshaveshownthatthedistributionandmorphologyofprecipitatescanaffecttheIGCmechanismindifferentways.Forexample,MDsimulationshaveshownthatthedistributionofMg2SiprecipitatesalongtheGBscanincreasethelocalizedcorrosionrateandleadtoIGC.Solutesegregation:Solutesegregation,suchasSisegregation,canalsoaffecttheIGCmechanismofAl-Mg-Si-(Cu)alloys.SimulationstudieshaveshownthatSisegregationatGBscansignificantlyincreasethesusceptibilitytoIGC.Forexample,DFTcalculationshaveshownthatSisegregationattheGBscanlowertheenergybarrierforCl-adsorption,leadingtoacceleratedIGC.Conclusion:Inconclusion,simulationstudieshaveprovidedvaluableinsightsintotheIGCmechanismofAl-Mg-Si-(Cu)alloys.ThesestudieshaveshownthattheGBcharacter,precipitatesdistribution,andsolutesegregationcansignificantlyaffecttheIGCresistanceofAl-Mg-Si-(Cu)alloys.Theresultsofthesestudiescanaidinthedesignanddevelopmentofcorrosion-resistantAl-Mg-Si-(Cu)alloysforvariousapplications.However,itshouldbenotedthatsimulationstudiesarelimi