从相图到材料成份设计-

从相图到材料成分设计：Compositionrulesofamorphousalloysandquasicrystals董Dong闯ChuangDalianUniv.ofTech.,China大连理工大学学术讲演会，2004年5月12日StructurePropertyApplications相abc120°HexagonalstructureofMagnesiuma=0.3209nmc=0.5210nmPhaseDiagrams,thephasespresentatagiventemperatureandcompositionFe-CphasediagramIsothermalsection:Al-Ni-ZrsystemNi24Zr76Ni36Zr64Generalitiesaboutquasicrystals&amorphoussolidsnewdefinitionofcrystalIn1991,theInternationalUnionofCrystallographydecidedtoredefinethetermcrystaltomeananysolidhavinganessentiallydiscretediffractiondiagram.periodiccrystals:periodicontheatomicscale,andaperiodiccrystals:notperiodicontheatomicscalequasi-crystals“:aspecialgroupofaperiodiccrystalsAdiffractiondiagramofaperiodiccrystalcanalwaysbeindexedasavectorsumwithwiththreeintegercoefficients(h,k,l)ashb1+kb2+lb3.Aquasicrystalneedsmorethanthreewavevectorstogenerateallthediffractionpeaks.definitionof“quasicrystalThe10-foldPenrosetilingconstructedwithtwokindsoftiles,fatandthinrhombi.•QuasicrystalsareintermetalliccompoundsAnAl-Cu-FeicosahedralphasegrainwiththefootballshapeIcosahedralpointgroupIntermetallicwithspecificcompositionAl62.5Cu24.5Fe13OrderedsolidElectronicphasee/a=1.86PaulJ.SteinhardtPropertiesandApplicationsPoorthermalandelectricalconductorsThermalbarriercoatingforenginesHydrogenabsorptionstoragematerialsLowsurfaceenergynon-stickcookingpanHighhardnessstrengtheningparticlesinalloysandincompositessurgicalinstruments,electricrazors,artificialjointsSitramCybernox2CoveredSaucierPrice:$149.99BrittleAmorphousstructuresPaircorrelationfunction(=numberofneighborsinagivenshell)Model+simulation+experimentalobservationAtomicstructuresResultofacomputersimulationofabinaryamorphousCo-ZralloyComparisonbetweenexperimentandsimulationPropertiesandApplications:ConventionalmetallicglassesExtremelysoftmagnetic=transformercores,flexibleshieldingsMechanicallyhard=hardcoatings,nolargescaleapplicationsduetostrainsofteningDuctility(freevolume)+noprecipitations+adjustablecomposition(highsolubilitylimit)=solderingfoilsNograinboundaries=corrosionprotectionannealingleadstoembrittlementrapidcoolingresultsinsmalldimensionsatleastinonedimensionrawmaterialsandproductionareexpensiveAdventofBulkMetallicGlassesApplicationsofBMGs•Highstrength-to-weightratios,•Highhardness,•Excellentwearproperties,•Goodformingandshapingqualities,•Specialchemicalabsorption•Unusualmagneticpropertiesgolfclubsheliumandneoncatcheropticalpartsaircraftcomponentsarmor-piercingbulletsPhasecompositionrules:Dreamofmaterialsresearchers!Phasecompositionrulesinmulti-componentsystems?•quasicrystals–Binary:d-Al6Fe,d-Al4Ni,i-Al6Mn,d-Al4Mn,i-Ti2Fe–Ternary:i-Al62.5Cu24.5Fe13,i-Al69Pd22Mn9,d-Al67.5Pd14Mn18.5,i-Zr45Ti38Ni17…•metallicglasses:–Binary:Zr-Ni,Zr-Cu…–Ternary:Zr60Al20Ni20,Zr65Cu27.5Al7.5,–Quaternary:Zr65Al7.5Ni10Cu17.5(Inoue),Ti34Cu47Zr11Ni8–More:Zr52.5Ti5Cu17.9Ni14.6Al10,Zr41.2Ti13.8Cu12.5Ni10Be22.5,Zr58.5Nb2.8Cu15.6Ni12.8Al10.3multi-componentphaseswithnarrowcompositionrangesBinary-ternary-quaternaryevolutions100908070605040302010100908070605040302010100908070605040302010BACAxByAuBvCwOurapproach:fromsimplesystemstocomplexsystemsAxBy+Path=AuBvCwPathWhyareweinterestedbothinQCsandBMGs?1.AcademicandpracticalinterestsWhyareweinterestedbothinQCsandBMGs?1.Academicandpracticalinterests2.Theyarestructurallyinter-related•RolesoflocalicosahedralchemicalorderinginglassandquasicrystalformationinmetallicglassformersTanaka,H.2003•FormationsofamorphousandquasicrystalphasesinTi-Zr-Ni-CualloysWang,L.Ma,L.Ma,C.Inoue,2003•StudyoftheQuasicrystalFormationinZr-Ti-Cu-Ni-BeBulkMetallicGlassSoubeyroux,J.L.Pelletier,J.M.VandeMoortele,B.Epicier,T.2002•QuasicrystalFormation,PhaseSelectionandCrystallizationKineticsinZr-Cu-Ni-AlBasedMetallicGlassesKoster,U.Zander,D.Janlewing,R.2002WhyareweinterestedbothinQCsandBMGs?1.Academicandpracticalinterests2.Theyarestructurallyinter-related3.Theyaresubsystem-basedd-Al6Fei-Al62.5Cu24.5Fe13Zr-NiZr60Al20Ni20Zr65Al7.5Ni10Cu17.5•Quasicrystals:Hume-RotheryphasesG＝U－TS1、Electrochemical；2、Atomicsize；3、Valenceelectron.Electronicphase(2kf~K)AlCuFeQC：2kf＝30.4nm-1K＝29.8nm-1K＝31.3nm-1e/a=1.86Criterion1:e/a-constantlineCu(+1)bAl13Fe4(Cu)Al4Cu9Al7Cu2FeAl10Cu9FeIQCe/a-constante/a=1.86αθζ2Al(+3)Fe（-2）1.62.40.70.40.1-0.2-0.5-0.8-1.1-1.4-1.7-1.5-1.0-0.50.00.51.01.52.02.5Al-Cu-Fee/adiagram2.62.82.01.81.41.22.2d-Al6FeDong,Scr.Met&Mat1995Zr-Ti-Ni100908070605040302010100908070605040302010100908070605040302010TiNiZr*********iVWW-phase(Bergmanphase)NiTiZrIQCzonee/a=1.25IQCNi17Ti38Zr45Difficultiesinusingthise/a-constantcriterion:•Thee/avaluesofQCs?•Thee/avaluesofTMs?•NolinktobinaryQCs!Amorepracticalcriterionisneeded!羌建兵Qiang王英敏WangCriterion2:e/a-variantlineθCu(+1)Al(+3)Fe（-2）1.62.40.70.40.1-0.2-0.5-0.8-1.1-1.4-1.7-1.5-1.0-0.50.00.51.01.52.02.5Al-Cu-Fee/adiagram2.62.82.01.81.41.22.2e/a-variantline:binaryQC,ternaryQC,andthe3rdelement.e/a-variantlineQiangetal.J.Mater.Res.2001IQCd-Al6FeTwokeypointstounderstandthee/a-variantline1,thebinarystartingpointBinaryQCcompositionrule?2,thepathtothethirdelementSystem