简介:在这份报纸,在范围的稳定的homotopy组的homotopy元素的一个新家庭由n2m5and3s代表了
简介:ExplicitexpressionsofMori-Tanaka’stensorforatransverselyisotropicfiberreinforcedUDcompositearepresented.Closed-formformulaefortheeffectiveelasticpropertiesofthecompositeareobtained.Ina3Dsense,theresultingcompliancetensorofthecompositeissymmetric.Nevertheless,the2DcompliancetensorbasedonadeterioratedMori-Tanaka’stensorisnotsymmetric.Noristhecompliancetensordefineduponadeteriorated2DEshelby’stensor.Thein-planeeffectiveelasticpropertiesgivenbythosethreeapproachesaredifferent.AdetailedcomparisonbetweenthepredictedresultsobtainedfromthoseapproacheswithexperimentaldataavailableforanumberofUDcompositesismade.更多还原
简介:QuantumdynamicscalculationsforthetitlereactionH(2S)+S2(X3-Σg)→SH(X2Π)+S(3P)areperformedbyusingagloballyaccuratedoublemany-bodyexpansionpotentialenergysurface[J.Phys.Chem.A1155274(2011)].TheChebyshevrealwavepacketpropagationmethodisemployedtoobtainthedynamicalinformation,suchasreactionprobability,initialstate-specifiedintegralcrosssection,andthermalrateconstant.Itisfoundnotonlythatthereisareactionthresholdnear0.7eVinbothreactionprobabilitiesandintegralcrosssectioncurves,butalsothatboththeprobabilityandcrosssectionincreasefirstlyandthendecreaseasthecollisionenergyincreases.Theexistenceoftheresonancestructureinboththeprobabilityandcrosssectioncurvesisascribedtothedeeppotentialwell.Thecalculationoftherateconstantrevealsthatthereactionoccurringonthepotentialenergysurfaceoftheground-stateHS2isslowtotakeplace.
简介:Co(II)-salenwasencapsulatedinMIL-100(Cr)metalorganicframeworkby"shipinabottle"tosynthesizeanewelectrocatalyst,Cosalen@MIL-100(Cr).ThematerialwascharacterizedbyXRD,FT-IR,UV-VisandN2-adsorption.TheCosalen@MIL-100(Cr)modifiedglassycarbonelectrodeexhibitsawell-definedreductionpeakatthepotentialof–0.21Vtowardtheoxygenreductionreaction(ORR)bycyclicvoltammetry(CV)inpH=6.84phosphatebuffer.Almost400mVpositiveshiftofpotentialatCosalen@MIL-100(Cr)modifiedelectrodeforORRcomparedwiththatatbareglassycarbon,indicatesthatCosalen@MIL-100(Cr)possessesexcellentelectrocatalyticactivity.ThetransferrednumberofelectronsforORRwasdeterminedbychronocoulometry.TheresultsuggeststhattheintroductionofCo(II)-salencomplexintoMOFincreasestheelectrocatalyticactivityviaafour-electronreductionpathway.Furthermore,thiselectrocatalystexhibitsgoodstabilityandreproducibility.
简介:ThispaperpresentsaclosedformsolutionandnumericalanalysisforEshelby’sellipticinclusioninaninfiniteplate.Thecomplexvariablemethodandtheconformalmappingtechniqueareused.Thecontinuityconditionsforthetractionanddisplacementalongtheinterfaceinthephysicalplanearereducedtothesimilarconditionsalongtheunitcircleofthemappingplane.Thepropertiesofthecomplexpotentialsdefinedinthefiniteellipticregionareanalyzed.Fromthecontinuityconditions,onecanseparateandobtaintherelevantcomplexpotentialsdefinedintheinclusionandthematrix.Fromtheobtainedcomplexpotentials,thedependenceoftherealstrainsandstressesintheinclusionfromtheassumedeigenstrainsisevaluated.Inaddition,thestressdistributionontheinterfacealongthematrixsideisevaluated.Theresultsareobtainedinthepaperforthefirsttime.
简介:采用密度泛函理论的B3LYP方法、从头算的MP2方法和自洽反应场极化连续模型(PCM),在6-311++G(2d,2p)基组水平上研究了N,N’-二甲基-S-异苯并呋喃在气相和溶液中发生S→N烷基重排反应的机理、溶剂效应和取代基效应.结果表明:该反应通过四元环机理和双位迁移机理生成产物,在气相和溶剂水中,双位迁移途径的能垒均比四元环途径低,反应主要通过双位迁移途径生成产物.在气相,苯环上发生-Cl,-NO2和-OCH3取代时,双位迁移途径的能垒在MP2/6-311++G(2d,2p)水平上比没有取代时分别低4.18,7.61,4.96kJ/mol,反应的取代基效应不明显.而在溶剂水中,苯环上发生-Cl,-NO2和-OCH3取代时,双位迁移途径的能垒在PCM-MP2/6-311++G(2d,2p)水平上比气相时分别低37.73,39.96和37.17kJ/mol,反应的溶剂化效应非常明显.理论研究结果与实验观察结果一致.
简介:在吝啬地的三地点的BoseHubbard模型以内,偶极的bosonic气体与的通道动力学一周期性地,散布的s波浪的调整被调查。系统经历通道(CDT)的协调破坏转移在下邻居偶极子偶极子相互作用,所在地的相互作用和散布的调制s波浪之中源于相关效果的复杂、富有的协调通道(CT)。特别地,为产生CT(CDT)散布的调制s波浪的区域是最宽(最狭窄)什么时候所在地的相互作用和下邻居偶极子偶极子相互作用一些相关与通道精力和系统的相互作用精力有关仔细珍视,它是。为出现CDT的相关的值能理论上从通道精力和系统的相互作用精力被获得。
简介:Veryrecently,BelleannouncedtheirobservationofΥ(5S)!bJ!(J=0;1;2),indicatingthattheΥ(5S)!bJ!decaysalsohavelargedecaywidths,i.e.,themeasuredbranchratiosofΥ(5S)!bJ!are<3:410??3,(1:640:23+0:30??0:22)10??3,and(0:570:220:07)10??3withJ=0;1;2,respectively[1].ItshouldbenoticedthateventhoughthetreelevelcontributionstoΥ(5S)!bJ!(J=0;1;2)shouldbestronglysuppressedduetotheOkubo-Zweig-Iizuka(OZI)rule,suchlargedecaywidthsareobserved,whichagaininspiresourinterestinunderstandingsuchquantities.Inthiswork,weproposethatthecontributionfromthehadronicloopshouldbeconsideredinstudyingΥ(5S)!bJ!.
简介:AnovelSr2CuInO3Soxysulfidep-typesemiconductorphotocatalysthasbeenpreparedbysolidstatereactionmethodanditexhibitsintriguingvisiblelightabsorptionpropertieswithabandgapof2.3eV.Thep-typesemiconductorcharacterofthesynthesizedSr2CuInO3SwasconfirmedbyHallefficientmeasurementandMott-Schottkyplotanalysis.First-principlesdensityfunctionaltheorycalculations(DFT)andelectrochemicalmeasurementswereperformedtoelucidatetheelectronicstructureandtheenergybandlocations.Itwasfoundthattheas-synthesizedSr2CuInO3Sphotocatalysthasappreciateconductionandvalencebandpositionsforhydrogenandoxygenevolution,respectively.Photocatalytichydrogenproductionexperimentsunderavisiblelightirradiation(λ>420nm)werecarriedoutbyloadingdifferentmetalandmetal-likecocatalystsonSr2CuInO3SandRhwasfoundtobethebestoneamongthetestedones.
简介:Thedevelopment,theunderlyingtechnologyandthecurrentstatusofthefullydiode-pumpedsolid-statelasersystemPOLARISisreviewed.Currently,thePOLARISsystemdelivers4Jenergy,144fslonglaserpulseswithanultra-hightemporalcontrastof5×1012fortheASE,whichisachievedusingaso-calleddoublechirped-pulseamplificationschemeandcross-polarizedwavegenerationpulsecleaning.Bytightlyfocusing,thepeakintensityexceeds3.5×1020Wcm-2.TheseparameterspredestinePOLARISasascientifictoolwellsuitedforsophisticatedexperiments,asexemplifiedbypresentingmeasurementsofacceleratedprotonenergies.Recently,anadditionalamplifierhasbeenaddedtothelaserchain.Intheramp-upphase,pulsesfromthisamplifierarenotyetcompressedandhavenotyetreachedtheanticipatedenergy.Nevertheless,anoutputenergyof16.6Jhasbeenachievedsofar.