简介:UsingthedensityfunctionaltheoryandthenonequilibriumGreen’sfunctionmethod,westudiedthefinite-biasquantumtransportinaCr/graphene/Crmagnetotunneljunction(MTJ)constructedbyasinglegraphenelayersandwichedbetweentwosemi-infiniteCr(111)electrodes.Wefoundthatthetunnelingmagnetoresistance(TMR)ratiointhisMTJreached108%,whichisclosetothatofaperfectspinfilter.Underanexternalpositivebias,wefoundthattheTMRratioremainedconstantat65%,incontrasttoMgO-basedMTJs,theTMRratiosofwhichdecreasewithincreasingbias.TheseresultsindicatethattheCr/graphene/CrMTJisapromisingcandidateforspintronicsapplications.
简介:ConstructingareasonablereactionkineticmodelforCr-containingwasteincinerationisofhighsignificancetostudytheeffectofvariousfactors,suchastemperature,Cl,onitshexavalentchromiumcompounds.Inthispaper,aprimaryCr/H/Air/ClreactionkineticmodelisbuiltandstudiedbyGaussian03codewithquantumchemistrytheory.Numericalresultsshowthattherearetwooverallreactionsinthemodel,eachofthetwooverallreactionsconsistsoftheirrespectivetwoelementaryreactions.Sothetwooverallreactionsshouldbeomittedfromthemodel.Instead,thefourelementaryreactionsshouldbeaddedintheCr/H/Air/Clreactionkineticmodel.Theactivationenergiesofthefourelementaryreactionsarealsocalculated.
简介:Tounderstandtheelectronicandmagneticproperties,wehavestudiedCr-dopedzinc-blendeAINsystemindetailbyapplyingafirst-principleplanewavepseudopotentialmethodbasedonthedensityfunctionaltheorywithinthelocalspindensityapproximation.Theanalysesofthebandstructures,densityofstates,exchangeinteractions,andmagneticmomentsshowthatAl_(1-x)Cr_xNalloysmayexhibitahalf-metallicferromagnetismcharacter,thatCrinthediluteddopinglimitformsnear-midgapdeeplevels,andthatthetotalmagnetizationofthecellis3μ_BperCratom,whichdoesnotchangewithGrconcentration.Moreover,wehavesucceededinpredictingthatAl_(1-x)Cr_xNalloysinx=0.0625hasaveryhighCurietemperature,andfindthatferromagneticexchangeinteractionbetweenmagneticdopantsisshort-ranged.
简介:Vanadiumalloys(V-Cr-Tiseries)areimportantcandidatematerialsforblanketcomponentsoffusionreactorsduetotheirlowactivationandhighstrengthatelevatedtemperatures.Low-temperatureirradiationembrittlementdeterminestheoperationtemperaturelimitofVanadiumalloysfortheapplicationtostructuralmaterialsoffusionreactorsirradiationresponseofvanadiumalloysneedstobeclarifiedfortheirapplication.Inthepresentstudy,specimensoftwoalloys(V-4Cr-4TiandV-5Cr-5Ti)wereirradiatedwithenergeticHeionsandheavyionstounderstandhardeningofthealloysduetoheliumaccumulationandcascadedamageproduction.
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:WeconstructaclassofintegrablegeneralizationofTodamechanicswithlong-rangeinteractions.ThesesystemsareassociatedwiththeloopalgebrasL(Cr)andL(Dr)inthesensethattheirLaxmatricescanberealizedintermsofthec=0representationsoftheaffineLiealgebrasCr(1)andDr(1)andtheinteractionspatterninvolvedbearsthetypicalcharactersofthecorrespondingrootsystems.WepresenttheequationsofmotionandtheHamiltonianstructure.Thesegeneralizedsystemscanbeidentifiedunambiguouslybyspecifyingtheunderlyingloopalgebratogetherwithanorderedpairofintegers(n,m).Itturnsoutthatdifferentsystemsassociatedwiththesameunderlyingloopalgebrabutwithdifferentpairsofintegers(n1,m1)and(n2,m2)withn2<n1andm2<m1canberelatedbyanestedHamiltonianreductionprocedure.Forallnontrivialgeneralizations,theextracoordinatesbesidesthestandardTodavariablesarePoissonnon-commute,andwheneithernorm≥3,thePoissonstructurefortheextracoordinatevariablesbecomessomeLiealgebra(i.e.theextravariablesappearlinearlyontheright-handsideofthePoissonbrackets).Inthequantumcase,suchgeneralizationswillbecomesystemswithnoncommutativevariableswithoutspoilingtheintegrability.
简介:Wereportedabifunctionalmaterial,Cr-salenimplantedconjugatedmicroporouspolymer(Cr-CMP),whichisabletocaptureexcellentCO2amountsandhasaremarkablecatalyticactivitytowardsthecycloadditionreactionofCO2toepoxidesformingcycliccarbonatesatmildconditionswithoutadditionalsolvents.ThisheterogeneousCr-CMPcatalysthasasuperiorcatalyticactivitytoitsrelatedhomogeneouscatalystandcanbereusedmorethantentimeswithoutasignificantdecreaseincatalyticactivity.
简介:实现了X型腔全固态端面泵浦Cr:LiSAF激光器的高效率输出和宽谱调谐。斜效率最高为33.3%,在吸收泵浦功率为650mW时,输出功率最高达160mW。在谐振腔内插入双折射滤光片(BF)调谐,调谐范围达787.952nm。测量了激光器的光谱、光束质量等,分析了激光器效率和调谐范围的限制因素。研究表明,X型腔全固态端面泵浦的Cr:LiSAF激光器可以实现高效的近红外宽谱调谐输出。
简介:Therearemoreandmorecountriestoakeanefforttothestudiesofvanadiumalloyforfusionapplication.NIFSinJapanhasrecentlydevelopedan80kgheatV4Cr4Tialloy(NIFS-heat2)aftertheproductionofa500kgscaleV4Cr4TiinU.S.severalyearsago.PropertyevaluationofthealloyhasbeenputintoaninternationalcollaborationprogramunderthecoordinationofIEA(InternationalEnergyAgency).SWIPhasjoinedthecollabrationonthehydrogenembrittlementresistanceevaluationofthealloyt.
简介:OnaccountoftheexcellentmechanicalpropertiesofCrNfilmsuchasgoodwearandcorrosionresistance,andoxidizationatamuchhighertemperature,CrNfilmhasbeendemonstratedasoneofthebestcoatingsforenlargingthebearingatpresent.However,steelworkinglifespanatpresentt.However,withthemoreincreasinglyaggressiveoftheworkingenvironmentofmechanicalcomponents,especiallyforbearingsteel,newcoatingtechnologieswithamorebetterpropertiesofthetreatedpartssuchaswearandcorrosionresistancearerequired.