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11 个结果
  • 简介:Initial Ground State for QMD CalculationsInitialGroundStateforQMDCalculations¥WeiZhiyongandZhuYongtaiInusingQMDforlowenergyco...

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  • 简介:Theeffectofinitialconcentrationsonsolidificationofammoniumchloridewatersolutionisnumericallyinvestigatedindetail.Thesolidifyingprocess.withthecoldwalltemperaturelowerthantheeutectictemperature,isassumedtobeone-dimensional,andcontrolledbyheatconductiononly.Thesimulationrevealsthat:(1)Thesolid-mushinterfacegrowsinalinearmanner,whilethegrowthrateofthemush-liquidinterfacedecreasesinaparabolicmanner,withincreasinginitialconcentrations.(2)Thetemperaturefieldinthewholeregionhasparaboliccharacteristics,butisshowsalinearfeatureinthesolidzoneandmushyzone.(3)Theconcentrationalwayshaslinearcharacteristicsinthemuch.(4)Thesolidfractiondistributionisstronglyaffectedbytheinitialconcertration.Thesolidificationprocessshowsquitedifferentfeatures,especiallyatsmallandhighinitialconcentrations.

  • 标签: 凝固 氯化铵水溶液 浓度
  • 简介:StudiesofthermalizationprocessesofenergeticchargedparticlesproducedinD-He^3fusionreactionsareveryimportantforcalculationsoftheirslowingdowntime,energyfractiontransferredtobackgroundionsandelectronsandfastionpressure(thatmeansfastionβ).Basedontheassumptionofbinarycollision,thetotalrateofenergylossofthetestparticleequalstothesumovertheratsofenergylossestotheelectronandallionspecies.Forthesecalculations,

  • 标签: 量子理论 库仑定理 库仑对数 热能化状态
  • 简介:Thisstudyinvestigatedcharacteristicsofbifurcationandcriticalbucklingloadbyshapeimperfectionofspacetruss,whichweresensitivetoinitialconditions.Thecriticalpointandbucklingloadwerecomputedbytheanalysisoftheeigenvaluesanddeterminantsofthetangentialstiffnessmatrix.Thetwo-free-nodesexampleandstardomewereselectedforthecasestudyinordertoexaminethenodalbucklingandglobalbucklingbythesensitivitytotheeigenbucklingmodeandtheanalysesoftheinfluence,andcharacteristicsoftheparametersasdefinedbytheloadratioofthecenternodeandsurroundingnode,aswellasrise-spanratiowereperformed.Thesensitivitytotheimperfectionoftheinitialshapeofthetwo-free-nodesexample,whichoccursduetosnappingatthecriticalpoint,resultedinbifurcationbeforethelimitpointduetothebucklingmode,andthebucklingloadwasreducedbytheincreaseintheamountofimperfection.Thetwosensitivebucklingpatternsofthenumericalmodelareestablishedbyinvestigatingthedisplacedpositionofthefreenodes,andtheasymmetriceigenmodegreatlyinfluencedthebehavioroftheimperfectionshapewhetheritwasatlimitpointorbifurcation.Furthermore,thesensitivemodeofthetwo-free-nodesexamplewassimilartothein-extensionalbasismechanismofasimplifiedmodel.Thestardome,whichwasusedtoexaminetheinfluenceamongseveralnodes,indicatedthattheinfluenceofnodalbucklingwasgreaterthanthatofglobalbucklingastherise-spanratiowashigher.Besides,globalbucklingisoccurredwithreachingbifurcationpointasthevalueofloadratiowashigher,andthebucklingloadlevelwasabout50%-70%ofloadlevelatlimitpoint.

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  • 简介:Thedeactivationbehaviorbycrystallitegrowthofnickelnanoparticlesonvarioussupports(carbonnanofibers,zirconia,SiC,α-Al_2O_3andγ-Al_2O_3)wasinvestigatedintheaqueousphasereformingofethyleneglycol.SupportedNicatalystsof~10wt%werepreparedbyimpregnationofcarbonnanofibers(CNF),ZrO_2,SiC,γ-Al_2O_3andα-Al_2O_3.TheextentoftheNinanoparticlegrowthonvarioussupportmaterialsfollowstheorderCNF~ZrO_2>SiC>γ-Al_2O_3>>α-Al_2O_3whichsequence,however,wasdeterminedbytheinitialNiparticlesize.Basedontheobservednickelleachingandthespecificgrowthcharacteristics;theparticlesizedistributionandtheeffectofloadingonthegrowthrate,Ostwaldripeningissuggestedtobethemainmechanismcontributingtonickelparticlegrowth.Remarkably,initiallysmallerNiparticles(~12nm)supportedonα-Al_2O_3werefoundtooutgrowNiparticleswithinitiallylargersize(~20nm).ItisputforwardthatthehighersusceptibilitywithrespecttooxidationofthesmallerNinanoparticlesanddifferencesininitialparticlesizedistributionareresponsibleforthisbehavior.

  • 标签: 镍催化剂 粒径分布 水相重整 稳定性 Ostwald熟化 Al2O3
  • 简介:ThreeseriesofCeO2/CuOsampleswerepreparedbyimpregnationmethodandcharacterizedbyXRD,N2adsorption-desorption,temperatureprogrammedreduction(TPR),XPSandTEMtechniques.IncomparisonwiththesamplespreparedwithCuOasinitialsupport,thesampleswithCu(OH)2asinitialsupporthavehigherreducibilitiesandsmallerrelativeTPRpeakareas,andalsolargerspecificsurfaceareasatcalcinationtemperaturesof400℃–600℃.Asaresult,Cu(OH)2isbetterthanCuOasinitialsupportforpreferentialoxidationofCOinexcessH2(CO-PROX).Thebestcatalyticperformancewasachievedonthesamplecalcinedat600℃andwithanatomicratioofCe/Cuat40%.XPSanalysesindicatethatmoreinterfacelinkagesCe-O-Cucouldbeformedwhenitwascalcinedat600℃.AndtheatomicratioofCe/Cuat40%ledtoaproperreducibilityforthesampleasillustratedbytheTPRmeasurements.

  • 标签: 氧化铜催化剂 选择性氧化 氧化铈 支护效果 二氧化碳 程序升温还原