简介:TheuseofX-raymicrotomographic(XMT)methodsinanalysingparticulatesystemshasexpandedrapidlyinrecentyearswiththeavailabilityofaffordabledesk-topapparatus.ThisreviewpresentsasummaryofthemajorapplicationsinwhichcomputersimulationsareexplicitlycoupledwithXMTintheareaofgranularandporousmaterials.Weenvisagetwomainwaysofestablishingthecouplingbetweenbothtechniques,basedonthetransferenceorexchangeofinformationbyusingphysicalorgeometricalparameters(i.e.aparametriclinkthroughfittingtoaprocessmodel)orthroughthedirectuseof3DXMTdigitalimages(i.e.comparingimagepixelsandfeaturesdirectly).Examplesofcoupledapplicationsareshownforthestudyoftransportpropertiesofrocks,particlepacking,mechanicalloadingandsintering.Often,thelinkbetweenXMTandcomputersimulationsisbasedonvisualcomparisonsandweconcludethattheuseofquantitativeparameterssuchasthenumberofinterparticlecontacts,forcenetworksorgranuleshapetolinkbothtechniquesisstillunderrepresentedintheliterature.Strategiestoprovideamorerobustandquantitativeapproachtooptimisetheinformationobtainedfromsuchtomographyanalysesareproposed.
简介:分析了X射线辐照电缆的物理过程,建立了基于有限元方法的二维诺顿等效电流源计算模型,将泊松方程、电场强度、电荷守恒方程等求解过程转换为矩阵和向量运算,并利用PETSc程序包编程计算,模拟了辐射感应电导率和间隙效应对屏蔽电缆X射线辐照响应的影响。结果显示,仅考虑辐射感应电导率效应时,随着X射线注量的增加,诺顿等效电流源逐渐趋于饱和,波形宽度变窄,并逐渐变为双极性波形。仅考虑间隙效应时,诺顿等效电流源幅度与间隙宽度近似成正比;间隙效应会大幅抵消辐射感应电导率效应的影响,诺顿等效电流源幅度仍近似正比于间隙宽度。该方法实现了电缆X射线辐照非线性效应的模拟,并将计算对象扩展到屏蔽多导体电缆。
简介:TheadsorptionofCOonPtgroupmetals,asamostfundamentalelementaryreactionstep,hasbeenwidelystudiedincatalysisandelectrocatalysis.Particularly,thestructuresofCOonPt(111)havebeenextensivelyinvestigated,owingtoitsimportancetobothfundamentalandappliedcatalysis.Yet,muchlessisknownregardingCOadsorptiononaPt(111)surfacemodulatedbysupportedoxidenanostructures,whichisofmorerelevancetotechnicalcatalysis.Wethusinvestigatedthecoverage-dependentadsorptionofCOonaPt(111)surfacepartiallycoveredbyFeOxnanostructures,whichhasbeendemonstratedasaremarkablecatalystforlow-temperatureCOoxidation.Wefoundthat,duetoitsstrongchemisorption,thecoverage-dependentstructureofCOonbarePtisnotinfluencedbythepresenceofFeOx.But,oxygen-terminatedFeOxnanostructurescouldmodulatethediffusivityofCOattheirvicinity,andthusaffecttheformationoforderedCOsuperstructuresatlowtemperatures.Usingscanningtunnelingmicroscopy(STM),weinspectedthediffusivityofCO,followedthephasetransitionsofCOdomains,andresolvedthemoleculardetailsofthecoverage-dependentCOstructures.OurresultsprovideafullpictureforCOadsorptiononaPt(111)surfacemodulatedbyoxidenanostructuresandshedlightsontheinter-adsorbateinteractiononmetalsurfaces.
简介:ThroughacomparisonbetweentheexpressionsofmasterbalancelawsandtheconservationlawsderivedbyNoether'stheorem,aunifiedmasterbalancelawandsixphysicallypossiblebalanceequationsformicropolarcontinuummechanicsarenaturallydeduced.Amongthem,byextendingthewell-knownconventionalconceptofenergymomentumtensor,therathergeneralconservationlawsandbalanceequationsnamedafterenergy-momentum,energy-angularmomentumandenergy-energyareobtained.Itisclearthattheformsofthephysicalfieldquantitiesinthemasterbalancelawforthelastthreecasescouldnotbeassumeddirectlybyperceivingthroughtheintuition.Finally,someexistingresultsarereducedimmediatelyasspecialcases.