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简介:AMonteCarlosimulation,withtheenergeticsdescribedbytheembeddedatommethod,hasbeenemployedtostudythephysicalbehaviourofboronatomsduringrelaxationoftheNi3AlBxgrainboundary,IthasalsobeenusedtocalculatenotonlythepeakconcentrationsofNiandBandthevalleyconcentrationofAlatthegrainboundary,butalsothedependenceofthegrainboundarycohesionontheBbulkconcentration.DuringrelaxationofimpureNi3Algrainboundaries,wesuggestthat,asthesegregatingspecies,theBatomseitherinsertintointersticesinthegrainboundaryorsubstituteNiatoms.Meanwhile,astheinducingspecies,theyinduceNiatomstosubstituteforAlatoms.Calculationsshowthatintheequilibrium,whentheBbulkconcentrationxincreasesfrom0.1to0.9thepeakconcentrationofBincreases,thepeakconcentrationofNimaximizeswhilethevalleyconcentrationofAlminimizesatx=0.5,Thecalculationsalsoshowthebestcohesionofthegrainboundaryatx=0.5。
简介:或者方向性含蓄(ADI)计划通常在3D深度移植被使用。它切开3D沿着英文报纸之单行标题和嵌入的方向的方形根的操作员或者。在这糊,基于数据线,四方法的切开计划和他们的切开的错误为的理想有限差别(FD)方法和混合方法被调查。四方法的切开的计划的wavefieldextrapolation在一根数据线上被完成并且无条件地是稳定的。切开错误的数字分析证明双向FD迁居有可见数字各向异性的错误,和移植更不有的那四方法的FD比双向FD移植切开错误。为混合方法,在双向计划和四方法的计划之间的数字各向异性的错误的差别在更低的侧面的速度变化的情况中是小的。在这篇论文介绍的计划能在栈以后的3D或prestack深度移植被使用。3D深度移植的二数字计算被完成。一个人是四方法的FDand混合3D为推动回答的栈以后的深度移植,哪个各向异性的错误能在经常、可变的速度变化的情况中有效地被消除的表演。Theother是为有切开计划的two-wayhybrid的SEG/EAEG基准模型的3D射击侧面prestack深度迁居,它介绍好成像结果。基于射击数字传递接口(MPI)计划的消息被采用。
简介:1,2-rearrangementsofcarbenes:CCH2X(X=CH2,NHandO)arestudiedbyusingabinitiogradientmethod.HeteroatomsNandOstabilizethecarbeneanddecreaseitsreactivity,mainlybychangingfrontiermolecularorbitals,butretainthewayofthereaction.ThereactionstartsfromtheattackofthemigratinghydrogenonthecarbenepAOandendswiththeentranceofthehydrogenintothecarbeneσorbital.ReactivitiesareintheorderofX=CH2>NH>O.Thereactionisexothermicorendothermicaccordingtowhethertheproductisa4n+2or4nπelectronmolecule.
简介:Conventionalchloromethylation,paraformaldehyde/hydrogenchlorideinaceticacidmedium,wasappliedto1,2-dimethoxybenzene.Chloroform-solublepoly(3,4-dimethoxy-o-tolylene)wasobtainedwithanintrinsicviscosityof0.034dLg~(-1).ThepolymerwasevaluatedasacondensationredoxpolymerprecursorformedbyaFriedel-Craftsreaction.Cleavageofthemethoxygroupspresentinthispolymerresultedinpoly(3,4-dihydroxy-o-tolylene)whichmanifestedagreatair-oxidationresistance.Theredoxpropertyofthelatterpolymerwasfoundtobe1017mVbypotentiometrictitrationwith0.05Ncericammoniumnitrateat25℃.Thismidpotentialwascomparedtothatofcatechol,amonomericanalogue,underthesametitrationconditions.
简介:Catalyticcombustionofpropane-airmixturewasinvestigated.Platinumcatalystsoveraflatstainlesssteelwithγ-aluminawashcoatwereemployed.Theemployedburnerhasthreecatalystssetparalleltothemixtureflow,spacedatanintervalof5,10and15mm.Bothexperimentandnumericalsimulationweremadeatinlettemperatureof553K,inletvelocityof3to7m/sandequivalenceratioof0.3to0.5.Inthenumericalsimulation,two-dimensional,steadystatemodelwasdevelopedtocalculatethetemperatureandspeciesconcentrationingas-phase.Inthismodel.chemicalreactiononthecatalystsurfaceandthatinthegasphasewereassumedtooccurinthree-steps.Thenumericalresultsshowgoodagreementwithexperimentalresults.Itwasfoundthatthepropertiesofthecatalyststronglyaffectthecatalystsurfacetemperature.Especially,thethermalconductivityofcatalysthasagreateffect,whiletheemissivityofcatalysthaslesseffect.
简介:The3-Dturbulentgas-particleflowsinaninnovativecombustorcalled“Spouting-CycloneCombustor”aresimulatedusingak-ε-Aptwo-phaseturbulencemodel.Theresultsshowthat:(1)THepredictedresultsinthespoutingzoneareingoodagreementwiththeexperimentalones;thepredictedgasflowfieldinthecyclonezoneisneartothatmeasured;(2)Inthespoutingzone,thereisalarge-sizegasparticlerecirculationzoneandasmall-sizeoneinthex-rplane,whichisfavorabletoburningcoarsecoalparticles;Inalmosteveryr-θplane,thereareseveralgas-particlevortices,whichisbeneficialtothemixing,heatandmasstransferbetweentwophases,thus,tothetwo-phasecombustion.(3)Thereisremarkablevelocityslipbetweengasandparticlephases;(4)Inthecyclonezone,predictionsshowtheoccurrenceofrecirculatingsecondaryflowsandcounterswirlingflowsinsomecrosssections,suchphenomenaaredifficulttobeobservedbyexperimentalmethods.
简介:HEATS OF INTERACTION OF ORGANIC BASES WITH POLYMER PROTECTED CATALYST PVC-AlCl_3HEATSOFINTERACTIONOFORGANICBASESWITHPOLYMERPR...
简介:GeneralizedSteiriertriplesystems,GS(2,3,n,g),areequivalenttomaximumconstantweightcodesoveranalphabetofsizeg+1withdistance3andweight3inwhicheachcodewordhaslengthn.ThenecessaryconditionsfortheexistenceofaGS(2,3,n,g)are(n-1)g≡0(mod2),n(n-1)g2≡0(mod6),andn≥g+2.Thesenecessaryconditionsareshowntobesufficientbyseveralauthorsfor2≤g≤11.Inthispaper,threenewresultsareobtained.First,itisshownthatforanygiveng,g≡0(mod6)andg≥12,ifthereexistsaGS(2.3.n.g)foralln,g+2≤n≤7g+13.thenthenecessaryconditionsarealsosufficient.Next,itisalsoshownthatforanygiveng,g≡3(mod6)andg≥15,ifthereexistsaGS(2,3,n,g)foralln,n≡1(mod2)andg+2≤n≤7g+6,thenthenecessaryconditionsarealsosufficient.Finally,asanapplication,itisprovedthatthenecessaryconditionsfortheexistenceofaGS(2,3,n,g)arealsosufficientforg=12,15.
简介:TheconductivitybehaviorofAl(OH)3-acrylamidehybridpolyacrylamide(hybridPAAm)indistilledwaterwasstudied.Adiscontinuityphenomenonoftheconductivity(k)versusconcentration(c)curveofthehybridPAAminacertainconcentrationregimeisfound.ThisphenomenonisdependentonthemolecularweightofthehybridPAAmandontheparticlesizeandcontentoftheAl(OH)3colloidinthehybridPAAm.ThisphenomenonwasaccountedforassumingionizationofthehybridPAAm.
简介:Thenonstaggeredgridsareadoptedinthispaperforsolvingthegoverningequationsofflowsinthecurvilinearcoordinatesystems.Thepresentpaperdemonstratesthebasicreasonandcorrespondingeliminatingmethodforthepressureoscillation,anddeducesthecorrectedexpressionsforthecurvilinearvelocitycomponentsinwhichandadditionaltermrepresentingthedifferencebetweenthe1-δand2-δdifferencevaluesforthepressuregradientappears.Thusifanoscillatorypressurefiledwerearisen,themagnitudeofthistermwouldbelargeandwouldacttoremovetheoscillation;whereasfornonoscillatoryfieldthemagnitudeofthistermremainssmall.Asexaminationforthenumericalmethod3-Dturbulentflowinasquareductwith90°bendand3-Dturbulentmixinglowinalobed-mixerwerecalculatiedrespectively.Thenumericalresultsaresatisfactory.
简介:Themillrollerbeatingismadeupofaninternalring,middlerollsandanexternalring,theanalysisofwhiehisamulti-bodiescontactproblem.Inthispaper,basedonthethree-dimensionalelasticcontactBEMwithoutfriction,andusingthestructuralcharacteristicsofrollerbearings,middlerollsarede-scribedbyelasticplateunitsofdifferentshapes,whichisplacedontheinternalring.Thediscontinuoustractionproblemofthecontactelementcanbedealtwithbythetractionsub-elementmethod.Thereforethecontactproblemcanbechangedfroinoneofmulti-bodiestooneoftwo-bodies.Asanelasticdeformationoftheplateelement,itcanbecalculatedbyanelasticcontactformulaandisregardedananequivalentgaptobeputintothetotalmatrixequality.Theface-to-facecontactconditionofdisplacementandtractionontheelementwillnerveastheconvergencejudgingcondition.Soconvergencesolutioncanbeobtainedbeforeanygeometryinconsistentonthecontactelementmaytakeplace.Therefore,thethree-dimensionaldistributionofloadofthemillrollerbearingcanbeachieved,Ithasbeenprovedthatthecalculatingmodelofthismethodisvisualizedandsimple,haslastconvergencesolutionandhigheraccuracy,makingitaneffectivenumericalmethodofdesigningandanalyzingloadcharacteristicsofthemillrollerbearing.
简介:TheauthorobtainsaWeierstrassrepresentationforsurfaceswithprescribednormalGaussmapandGausscurvatureinH3.AdifferentialequationaboutthehyperbolicGaussmapisalsoobtained,whichcharacterizestherelationamongthehyperbolicGaussmap,thenormalGaussmapandGausscurvature.TheauthordiscussestheharmonicityofthenormalGaussmapandthehyperbolicGaussmapfromsurfacewithconstantGausscurvatureinH3toS2withcertainalteredconformalmetric.Finally,theauthorconsidersthesurfacewhosenormalGaussmapisconformalandderivesacompletelynonlineardifferentialequationofsecondorderwhichgraphmustsatisfy.
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简介:Inthispaper,basedontheimplicitRunge-Kutta(IRK)methods,wederiveaclassofparallelschemethatcanbeimplementedontheparallelcomputerswithNs(Nisapositiveevennumber)processorsefficiently,anddiscusstheiterativelyB-convergenceoftheNewtoniterativeprocessforsolvingthealgebraicequationsofthescheme,secondlywepresentastrategyprovidinginitialvaluesparallellyfortheiterativeprocess.Finally,somenumericalresultsshowthatourparallelschemeishigherefficientasNisnotsolarge.
简介:Anewapproachtodeterminealltheelectro-elasticconstantsofthepiezoelectriccrystalsinclass4mmhasbeenputforward.Asanexample,alltheconstantsofLithiumTetraborate(Li2B4O7)crystalhavebeenmeasuredbymeansoftheapproach.Theoutstandingadvantageoftheapproachisthatiton-lyneedstoemployinmeasurementthreecrystalplatesdifferentlyoriented.