铝的晶格常数,体弹模量及弹性常数分子模拟

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1、Calculationofmateriallatticeconstantandbulkmodulus2012CCCalculationofmateriallatticeconstantandbulkmodulusSummary：Aluminumisoneoftheworld'smostusedmetals,thecalculatedaluminumlatticeconstantandbulkmoduluscanbeusedtoimprovetheperformanceofthealuminumconsequentlymakebetteruseof

2、aluminum.Invirtueofmoleculardynamicssimulationsoftware，wecansolvethelatticeconstant.Bythederivativeofthelatticeconstant,thebulkmoduluscanbeobtained.Theelasticconstantsofamaterialdisplaytheelasticityandwecanusethesoftwarematerialstudiotosimulateandgetthem.Thesimulationresultsm

3、atchtheexperimentalvalues.Keywords:Aluminum,latticeconstant,bulkmodulus,elasticconstant,simulation.Calculationofmateriallatticeconstantandbulkmodulus2012CCIntroduction:Inmaterialsscience,inordertofacilitateanalysisaboutthewayinwhichthecrystalparticlesarearranged,thebasicunitc

4、anberemovedfromthecrystallatticeasarepresentative(usuallytheFigureAsmallestparallelhexahedron)asaLatticeconstantisabasiccompositionunitofdotmatrix,structuralparameter，whichhasacalledacell(i.e.solidStatePhysicsdirectrelationshipwiththe"originalcell"concept);latticebondingsbetw

5、eentheatoms，ofconstant(orso-calledlatticethecrystalsubstance.Itreflectstheconstant)referstothesidelengthchangesintheinternalcompositionoftheunitcell,inotherwords,theofthecrystalofthelatticeconstant,sidelengthofeachparallelforcestatechanges,etc.hexahedralcells.Latticeconstanti

6、sThebulkmodulus(KorB)ofaanimportantbasicparametersofsubstancemeasuresthecrystalstructure.FigureAisthesubstance'sresistancetouniformbasicformofthelatticeconstant.compression.Itisdefinedastheratiooftheinfinitesimalpressureincreasetotheresultingrelativedecreaseofthevolume.Itsbas

7、eCalculationofmateriallatticeconstantandbulkmodulus2012CCunitisthepascal.FigureBferrumcomparedwithotherdescribestheeffectofbulkmetallicelements.Aluminumandmodulus.aluminumalloyareconsideredthemosteconomicandapplicableinmanyapplicationfieldsasaconsequenceoftheirexcellentproper

8、ties.What’smore，increasedusageofaluminumwillresultfromFigureBdesigne