学科分类
/ 4
62 个结果
  • 简介:选用aug-cc-pVTZ及aug-cc-pVQZ基组对不同H2-H2位形进行了量子化学计算,外推出了氢分子间各向异性ab-initio作用势。依据实验数据确定出氢分子相互作用的5-体模型,在全局最优算法基础上拟合出了包含电四极矩项、多体极化作用项及三体关联项等在内的氢分子间各向异性作用势。结果验证了拟合势与ab-initio势能曲线几乎重合,两者偏差落在(-1.35K,1.29K)范围内;得出的氢分子第二维里系数与实验结果一致。

  • 标签: 氢分子 各向异性作用势 从头计算
  • 简介:分子的动态模拟被执行在交流上调查事件精力的效果:从C和HH电影生长原子流动。我们的模拟证明在低事件精力(1eV)的电影生长被H和C原子的吸附统治。在中等事件精力(10和20eV),有在表面吸附的H原子的事件H原子的抽象反应变得重要。在高事件精力(30和40eV),交流:H电影生长是一个二拍子的圆舞过程:一个人是吸附和C原子的浅培植,并且其它是H原子的深培植。[从作者抽象]

  • 标签: 分子动力学模拟 薄膜生长 入射能量 H原子 交流 流量
  • 简介:In2010,theBESCollaboration[1]foundaclearenhancementintheK0K0massdistributionintheJ=ψ!ηK0K0decay.SuchanenhancementisusuallyasignatureofanL=0resonancearoundthreshold,whichinthiscasewouldcorrespondstoanh1statewithquantumnumbersIG(JPC)=0??(1+??).Thish1statewaspredictedbytheChiralUnitarytheoryintheKKinteraction.Becauseoftheconversationlaw,thisstatecanonlydecaytoK0K0channel,andcanbestudiedefficientlyintheJ=ψ!ηK0K0decay.

  • 标签: SIGNATURE SIGNATURE QUANTUM CLEAR can BES
  • 简介:ConstructingareasonablereactionkineticmodelforCr-containingwasteincinerationisofhighsignificancetostudytheeffectofvariousfactors,suchastemperature,Cl,onitshexavalentchromiumcompounds.Inthispaper,aprimaryCr/H/Air/ClreactionkineticmodelisbuiltandstudiedbyGaussian03codewithquantumchemistrytheory.Numericalresultsshowthattherearetwooverallreactionsinthemodel,eachofthetwooverallreactionsconsistsoftheirrespectivetwoelementaryreactions.Sothetwooverallreactionsshouldbeomittedfromthemodel.Instead,thefourelementaryreactionsshouldbeaddedintheCr/H/Air/Clreactionkineticmodel.Theactivationenergiesofthefourelementaryreactionsarealsocalculated.

  • 标签: 动力学模型 高氯 空气 小时 反应活化能 CR
  • 简介:Experimentalresultsarepresentedforsuperfluid(HeⅡ)flowthroughporousplugliquid-vaporphaseseparators.Testshavebeenperformedonsevenporousplugswithdifferentthicknessesordifferentpermeabilities.Thetemperaturewasmeasuredfrom1.5Kto1.9K.Twoflowregionswereobservedinsmallandlargepressureandtemperaturedifferencesregionsrespectively.Theexperimentaldataarecomparedwiththeoreticalpredictions.Theperformanceandapplicabilityofthebasictheoryarediscussed.Hysteresisoftheflowrateisalsoobservedanddiscussed.

  • 标签: 超铃氦 超流体 流动率 液-气相位分离
  • 简介:AfterhavingevaluatedvariousH.323productsforthesetwoyears,KEKandJapaneseHENPcommunitystartedtomovefromISDN(H.320)-basedvideoconferencingenvironmentintoIP(H.323)-basedone.PrimaryreasonforthemoveistocutdowntheeverincreasingISDNcommunicationcost.AtthesametimetheH.323canofferusmorepowerfulcollaborativeenvironment.InordertomakeKEKtobeacenterfortheH.323-basedcollaborativeenvironmentinJapan,PictureTel'sLIVEGATEWAYasaH.320/H.323gateway,whichisessentialforthesmoothtransition,CiscoIP/VA3510asaH.323/MCU,andCisco2610asagatekeeperwereinstalledatKEKinMarch2001,Andthetransitionstarted.Inthispaper,we'lldescribethecollaborativeenvironmentwhichouruserscanhave,togetherwithitsoperationalresults.

  • 标签: H.323 高能物理 核物理 实验
  • 简介:Thedefectchangesin6H-SiCafterannealingand10MeVelectronirradiationhavebeenstudiedbyusingavariable-energypositronbeam.Itwasfoundthatafterannealing,thedefectconcentrationinn-type6H-SiCdecreasedduetorecombinationwithinterstitials.Whenthesamplewasannealedat1400℃for30mininvacuum,a20-nmthicknessSilayerwasfoundonthetopoftheSiCsubstrate,thisisadirectproofoftheSiatomsdiffusingtosurfacewhenannealedathightemperaturestages.After10MeVelectronirradiation,forn-type6H-SiC,theSparameterincreasedfrom0.4739to0.4822,andtherelativepositron-trappingratewasabout27.878timesoftheoriginsample,thisshowsthattherearesomedefectscreatedinn-type6H-SiC.Forp-type6H-SiC,itisveryunclear,thismaybebecauseoftheoppositechargeofvacancydefects.

  • 标签: 正电子束 6H-SIC 碳化硅 退火 半导体材料 空缺
  • 简介:LinuxbasednetworkedPCsclustersarereplacingboththeVMEnonuniformdirectmemoryaccesssystemsandSMPsharedmemorysystemsusedpreviouslyfortheonlineeventfilteringandreconstrucion.ToallowanoptimaluseofthedistributedresourcesofPCclustersanopensoftwareframeworkispresentlybeingdevelopedbasedonadataflowparadigmforeventprocessing.Thisframeworkallowsforthedistributionofthedataofphysicseventsandassociatedcalibrationdatatomultiplecomputersfrommultipleinputsourcesforprocessingandthesubsequentcollectionoftheprocessedeventsatmultipleoutputs.Thebasisofthesystemistheeventrepository,basicallyafirst-infirst-outeventstorewhichmaybereadandwritteninamannersimilartosequentialfileaccess.Eventsarestoredinandtransferredbetweenrepositoriesassuitablylargesequencestoenablehighthroughput.Multiplereaderscanreadsimultaneouslyfromasinglerepositorytoreceiveeventsequencesandmultiplewriterscaninserteventsequencestoarepository,Hencerepositoriesareusedforeventdistributionandcollection.Tosupportsynchronisationoftheeventfolowtherepositoryimplementsbaaiers.Abarriermustbewrittenbyallthewritersofarepositorybeforeanyreadercanreadthebarrier,Areadermustreadabarrierbeforeitmayreceivedatafrombehindit.Onlyafterallreadershavereadthebarrieristhebarrieremovedfromtherepository.Abarriermayalsohaveattacheddata,Inthiswaycalibrationdatacanbedistributedtoallproessuingunits.Therepositoriesareimplementedasmulti-threadedCORBAobjectsinC++andCORMAisusedforalldatatransfers,JobsetupscriptsarewritteninpythonandinteractivestatusandhistogramdisplayisprovidedbyaJavaprogram.JobsrununderthePBSbatchsystemprovidingshareduseofresourcesforonlinetriggering,offlinemassreporcessinganduseranalysisjobs.

  • 标签: H1实验 数据流 数据处理
  • 简介:Thispaperreportsthattheetchingmorphologyofdislocationsin8°off-axis4H-SiCepilayerisobservedbyusingascanningelectronicmicroscope.Itisfoundthatdifferenttypesofdislocationscorrespondwithdifferentdensitiesandbasalplanedislcation(BPD)arrayandthreadingedgedislocation(TED)pileupgroupliealongsomecertaincrystaldirectionsintheepilayer.Itisconcludedthattheelasticenergyofthreadingscrewdislocations(TSDs)ishighestandTEDsislowestamongthesedislocations,sothedensityofTSDsislowerthanTEDs.TheBPDscanconverttoTEDsbutTSDscanonlypropagateintotheepilyerinspiteofthehigherelasticenergythanTEDs.ThereasonoftheformofBPDsarrayinepilayeristhatthebigstepalongthebasalplanecausedbyfacedefectsblockedtheupstreamatoms,andTEDspileupgroupisthatthedislocationsslideisblockedbydislocationgroupsinepilayer.

  • 标签: 刃型位错 外延层 SiC 离轴 扫描电子显微镜 逃生装置
  • 简介:我们从氢的现在的泛音系列有不同电离精力Ip的分子的离子。由从氦离子和氢比较再结合矩阵元素分子的离子,我们证实在高顺序的泛音产生的干扰效果从再结合干扰发源。在仅仅当准确连续统wavefunction被使用时,o=Ek+Ip举行的1D表演的再结合矩阵元素上的数字研究,和在泛音系列的极值的职务能精确地被预言。我们证明在泛音系列的极值的职务被围住再结合干扰的潜在的依赖主要影响。[从作者抽象]

  • 标签: 高次谐波产生 氢分子离子 氢气 作者 干扰效应 矩阵元素
  • 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.

  • 标签: 燃气透平 催化燃烧 C3H8-空气混合