学科分类
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72 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:Fourkeyreactions,12C(,)13O,13C(,n)16O,25Mg(p,)26Aland19F(p,)16O,willbestudiedforthefirsttimewithinorneartheastrophysicalrelevantenergyregions(Gamowwindow)atJinpingUndergroundlaboratoryforNuclearAstrophysics(JUNA)[1],whichwilltaketheadvantageoftheultra-lowbackgroundofChinaJinPingundergroundLaboratory(CJPL),highcurrentacceleratorbasedonECRsourceandahighlysensitivedetectionsystem.

  • 标签: Institute MODERN PHYSICS
  • 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:多通道数据采集与处理是捷联式(或者平台式)惯性测控中较常遇到的问题,在早期的产品中,控制和处理核心都采用单片机,由于单片机采用冯·诺衣曼总线结构,其指令执行速度较慢,设计一个高性能的多通道实时系统显得较为困难。

  • 标签: TMS320VC5416 多通道惯性测量 数据采集 结构设计 处理器 嵌入式软件
  • 简介:ThispaperreportsthePVTxpropertiesofR22/R152asystemintherangesoftemperaturefrom298.15Kto353.15Kandpressurefrom0.288MPato1.288MPa,SixtysevenPVTxmeasurementsforthreecompositions,i.e.0.2712,0.4094and0.7911molefractionofR22,havebeenmeasuredalong16isotherms.Theuncertaintiesoftemperatureandpressuremeasurementsarelessthan0.01Kand±500Parespectively.ThereliabilityoftheexperimentalmeasurementsisconfirmedbyusingREFPROPprogram,acomputerprogramsuggestedbyMorrisonetal^[4].

  • 标签: 致冷物质 R22/R152a Burnett方法
  • 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