简介:PropertiesofNucleiinLeadRegion¥GuJinnanandZhangChanghuaThestructureofthenucleiinthevicinityof208Pbhavebecomeofgreatexper...
简介:Properties of Borromean Halo NucleiPropertiesofBorromeanHaloNuclei¥WangZhengda;ZhangXiaodong;WangXiaochunandWangXiaobinThesin...
简介:Thispaperstudiesasimpleasymmetricallyevolvedcommunitynetworkwithacombinationofpreferentialattachmentandrandomproperties.Animportantissueaboutcommunitynetworksistodiscoverthedifferentutilityincrementsoftwonodes,wheretheutilityisintroducedtoinvestigatetheasymmetricaleffectofconnectingtwonodes.Ontheotherhand,theconnectionoftwonodesincommunitynetworkscanbeclassifiedastwonodesbelongingtothesameortodifferentcommunities.Thesimulationresultsshowthatthemodelcanreproduceapower-lawutilitydistributionP(u)~uσ,σ=2+1p,whichcanbeobtainedbyusingmean-fieldapproximationmethods.Furthermore,themodelexhibitsexponentialbehaviourwithrespecttosmallvaluesofaparameterdenotingtherandomeffectinourmodelatthelow-utilityregionandapower-lawfeaturewithrespecttobigvaluesofthisparameteratthehigh-utilityregion,whichisingoodagreementwiththeoreticalanalysis.Thiskindofcommunitynetworkcanreproduceauniqueutilitydistributionbytheoreticalandnumericalanalysis.
简介:Thestructuralpropertiesofwateratdifferenttemperatureshavebeeninestigatedusingaflexiblewatermodelintheisothermal-isobaricensemble.Withdecreasingtemperature,thetetrahedralityofthedistributionofthewatermoleculesaroundthecentralwatermoleculeisenhanced,andthehydrogenbondsbecomemorelinear.Bymeansofaconjugategradientenergyminimization,dynamicalconfigurationsatvarioustemperatureshavebeenmappedontonearbypotential-energyminima,the50°-60°peak(P1)inthedistributionfunctionoftheO-O-Oangleofatrimerbecomesfarsmaller.HoweverthereappearstobeasmallbutobservabletemperaturedependenceofP1,i.e.thehigherthetemperature,thehighertheP1intensity.
简介:Usingfirst-principlescalculations,thecontactbetweenthescandium(Sc)andsemiconductingcarbonnanotube(CNT)isinvestigated.Thisisoneofthebestqualityofn-typecontacts.Twojunctionmodelswith(8,0)CNTonlow-indexScsurfacesareconstructedtoelucidatethestructuralandelectronicpropertiesofSc/CNTjunctions.AnalysesbasedondensityofstatesandchargedifferencerevealthatstrongchemicalbondsareformedbetweenScandCatomsduetohybridstatesofSc3dstateandC2πstate.WithrespecttoTi(0001)/CNTjunction,wefindthedipolelayerformedattheinterfaceofSc(0001)/CNTiscomparablewiththatofTi(0001)/CNTbutgivesanegativebarrierattheinterface.ThisindicatesthattheexcellentcontactpropertiesofScmetalelectrodearecausedbyitslowworkfunctionandexcellentbindingwithCNT.
简介:AdoublehelixmodelofchargetransportinDNAmoleculeisgivenandthetransmissionspectraoffourDNAsequencesareobtained.ThecalculatedresultsshowthatthetransmissioncharacteristicsofDNAarenotonlyrelatedtothelongitudinaltransportbutalsotothetransversetransportofmolecule.Theperiodicsequencewiththesamecompositionhasstrongerconductionability.Withtheincreasingofbasescomposition,theconductiveabilityreduces,buttheweightofθdirectionrisesinchargetransfer.
简介:Twoacidiccarbonmaterials(H-PRCandHS-C)wereusedascatalystsforthecondensationreactionofmethanolwithformaldehydetoproducedimethoxymethane(DMM)inaqueoussolution(hydrophilicsystem)andforthe
简介:生物的膜为房间生活和水和是必要的。水为许多房间部件的集会和稳定性提供驱动力。这里,我们在phospholipid膜学习水的结构的性质。我们描绘本地结构,检查中间的范围顺序(国际难民组织)并且采用最近Martelli等建议的一个敏感本地顺序度量标准。与完美的冰的结构测量并且分级本地环境的重叠的度。近到膜,水获得一个高国际难民组织并且改变它的动态性质;即,它慢,在一个区域,那从膜在1nm上扩大的自由的翻译、旋转的度连接。令人惊讶地,我们证明在远及从接口的2:5nm的距离,尽管像体积的动力学被恢复,水的IRO在在一样的热力学的条件下面的体积仍然是比那稍微高级的。因此,水膜接口以比经常调用的1-nm长度规模进一步宣传的周围的条件有结构的效果。因而,当分析膜限制的水的试验性的数据时,这应该被考虑并且能帮助我们在生物系统理解水的角色。
简介:WepresentthepreliminaryresultsofourcodeOPAQS(opacitycalculationusingquantumstatisticalmodel)thatisbasedontheselfconsistentHartree-Fock-Slatermodelfortheaverageatom.Thecodeiscapableofperformingrobustcalculationsofaveragechargestate,frequency-dependentandmeanopacities.Theaccuracyoftheatomicmodelisverifiedbycomparingthecalculationsofaveragechargestatewithvariouspublishedresults.ThemonochromaticopacitiesforironcomputedatdifferentsetsoftemperaturesanddensitiesarecomparedwithLEDCOP.TheRosselandandPlanckopacitiesforironandaluminumarevalidatedwithsomestate-of-the-artcodes.Theresultsareingoodagreementwiththepublisheddata.