简介:TernarymetalchalcogenidesemiconductorAg8SnS6,whichisanefficientphotocatalystundervisiblelightradiation,isstudiedbyplane-wavepseudopotentialdensityfunctionaltheory.Aftergeometryoptimization,theelectronicandopticalpropertiesarestudied.Ascissoroperatorvalueof0.81eVisintroducedtoovercometheunderestimationofthecalculationbandgaps.Thecontributionofdifferentbandsisanalyzedbyvirtueoftotalandpartialdensityofstates.Furthermore,inordertounderstandtheopticalpropertiesofAg8SnS6,thedielectricfunction,absorptioncoefficient,andrefractiveindexarealsoperformedintheenergyrangefrom0to11eV.TheabsorptionspectrumindicatesthatAg8SnS6hasagoodabsorbencyinvisiblelightarea.Surfaceenergiesandworkfunctionsof(411),(413),(211),and(112)orientationshavebeencalculated.TheseresultsrevealthereasonforanoutstandingphotocatalyticactivityofAg8SnS6.
简介:OurJournalATAwasfoundintheWinterof1984atthebeautifulcoastalcityDalian,China,theEditorsinchiefwereProfessorC.K.Chui(abroad),andthelateProfessorM.D.Cheng(domestic).20years,itseemstobeshort,however,theJournalhasdevelopedquicklyandchangedalot.
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简介:Itisveryimportanttomeasurelocaldeformationsforanin-depthunderstandingofmechanicalpropertiesandfracturemechanismofstructuralandfunctionalmaterials.Inthispaper,differenttypesofmodelgridfabricationmethodsandmanytypesofelectronMoiremethodsusinganelectronbeamdrawingsystem,ascanningelectronmicroscopeorafocusionbeamarereported,togetherwiththeirapplicationsinthemeasurementofdeformationsoccurringinvariousengineeringsandmaterialsscienceresearch.
简介:AccordingtotheanalyticalcharacteristicsofcubicBsplinefunction,suchascompactnessanddiscontinuoussmoothness,twomethods,GlobalintegralmethodandAssemblingmethodareproposedtocalculatethenon-linearstiffnessmatrixinthesplinefiniteelementmethod.TheGlobalintegralmethodtransformstheintegraloftheproductofsplinefunctionsintothesumofboundarydataoftheproductbyintegralbyparts.TheAssemblingmethodusesthecompactnesscharacteristicsofthesplinefunction,reducesthen+3orderstiffnessmatrixinunitintervaltothe4ordermatrix,andthenobtainstheglobalmatrixbyassemblingthesmallones.Thetwoproposedmethodsareclearintheoryandeasytoberealizedbycomputerprogram,whichcaneffectivelyimprovetheefficiencyofthealgorithmfornonlinearsplineelementmethod.
简介:AmeshlessapproachtoanalysisofarbitraryKirchhoffplatesbythelocalboundaryintegralequation(LBIE)methodispresented.Themethodcombinestheadvantageousfeaturesofallthethreemeth-ods:theGalerkinfiniteelementmethod(GFEM),theboundaryelementmethod(BEM)andtheelement-freeGalerkinmethod(EFGM).Itisatrulymeshlessmethod,whichmeansthatthediscretizationisinde-pendentofgeometricsubdivisionintoelementsorcells,butisonlybasedonasetofnodes(orderedorscat-tered)overadomaininquestion.Itinvolvesonlyboundaryintegration,however,overalocalboundarycen-teredatthenodeinquestion;Itposesnodifficultiesinsatisfyingtheessentialboundaryconditionswhileleadingtobandedandsparsesystemmatricesusingthemovingleastsquare(MLS)approximations.Itisshownthathighaccuracycanbeachievedforarbitrarygeometriesforclampedandsimply-supportededgeconditions.Themethodisfoundtobesimple,efficient,andattractive.
简介:Inthispaper,severalusuallyusedpolynomialinterpolationmethodsareexplainedinviewofvectorbasisanddimensioninlinearalgebratheory.Usingtransitionmatrixes,generalconversionformulabetweenthebasisfunctionsetsofthesepolynomialinterpolationmethodsaregiven.Anexamplealsoshowstheeffectivenessoftheresults.