简介:Thepresentworkisconcernedwithapenny-shapedDugdalecrackembeddedinaninfinitespaceofone-dimensional(1D)hexagonalquasicrystalsandsubjectedtotwoidenticalaxisymmetrictemperatureloadingsontheupperandlowercracksurfaces.ApplyingDugdalehypothesistothermo-elasticresults,theextentoftheplasticzoneatthecracktipisdetermined.Thenormalstressoutsidetheplasticzoneandcracksurfacedisplacementarederivedintermsofspecialfunctions.Forauniformloadingcase,thecorrespondingresultsarepresentedbysimplifyingtheprecedingresults.Numericalcalculationsarecarriedouttoshowtheinfluenceofsomeparameters.
简介:标题化合物(C24H16N4S)以噻吩-2-甲醛、苯甲酰乙腈和3-甲基-1-苯基-1H-吡唑-5-胺为原料,在离子液体[bmim]Br溶剂中,在80℃搅拌合成得到.其结构通过单晶X射线衍射法确定,晶体属于三斜晶系,空间群P-1,相对分子质量Mr=392.47,晶胞参数a=0.93612(8)nm,b=1.03063(12)nm,c=1.16624(16)nm,V=0.96853(19)nm3,Z=2,晶胞密度Dc=1.346g/cm3,吸收系数μ=0.185mm-1,单胞中电子的数目F(000)=408.晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子R=0.0585,wR=0.1337.在晶体结构中新形成的吡啶环与吡唑环近似于共平面结构.
简介:Perovskite-typeLa1-xCexMnO3(x=0-10%)catalystswerepreparedbyflamespraypyrolysisandtheiractivitiesduringthecatalyticoxidationofbenzenewereexaminedoverthetemperaturerangeof100-450℃.ThestructuralpropertiesandreducibilityofthesematerialswerealsocharacterizedbyX-raydiffraction(XRD),N2adsorption/desorption,H2temperature-programmedreduction(H2-TPR)andX-rayphotoelectronspectroscopy(XPS).TheincorporationofCewasfoundtoimprovethebenzeneoxidationactivity,andtheperovskiteinwhichxwas0.1exhibitedthehighestactivity.Phasecompositionandsurfaceelementalanalysesindicatedthatnon-stoichiometriccompoundswerepresent.TheincorporationofCehadanegligibleeffectonthespecificsurfaceareaoftheperovskitesandhencethisfactorhaslittleimpactonthecatalyticactivity.IntroductionofCe44+resultedinmodificationofthechemicalstatesofbothB-siteionsandoxygenspeciesandfacilitatedthereducibilityoftheperovskite.ThesurfaceMn4+/Mn3+ratiowasincreasedasaresultofCe4+substitution,whileadecreaseinthesurface-adsorbedO/latticeO(Oads/Olatt)ratiowasobserved.Therelationshipbetweenthesurfaceelementalratiosandcatalyticactivitywasestablishedtoallowabetterunderstandingoftheprocessbywhichbenzeneisoxidizedoverperovskites.
简介:AgraphGiscalledchromatic-choosableifitschoicenumberisequaltoitschromaticnumber,namelych(G)=χ(G).Ohba’sconjecturestatesthateverygraphGwith2χ(G)+1orfewerverticesischromaticchoosable.ItisclearthatOhba’sconjectureistrueifandonlyifitistrueforcompletemultipartitegraphs.Recently,Kostochka,StiebitzandWoodallshowedthatOhba’sconjectureholdsforcompletemultipartitegraphswithpartitesizeatmostfive.Butthecompletemultipartitegraphswithnorestrictionontheirpartitesize,forwhichOhba’sconjecturehasbeenverifiedarenothingmorethanthegraphsKt+3,2*(k-t-1),1*tbyEnotomoetal.,andKt+2,3,2*(k-t-2),1*tfort≤4byShenetal..Inthispaper,usingtheconceptoff-choosable(orL0-size-choosable)ofgraphs,weshowthatOhba’sconjectureisalsotrueforthegraphsKt+2,3,2*(k-t-2),1*twhent≥5.Thus,Ohba’sconjectureistrueforgraphsKt+2,3,2*(k-t-2),1*tforallintegerst≥1.
简介:建立了非线性热力学模型,定性分析了外加应力和外加温度对外延生长在正交基底上的Pb(Zr1-xTix)O3(PZT)薄膜相变的影响。在外力场下,固定其中一个方向失配应变e1=0.005,模拟得到了不同组分的PZT薄膜的失配应变一外加应力的相图。研究发现,随着Ti组分的减少,出现了新相正交a1c相和四方相a1相,且新相区域也会随Ti组分的不同而变化。在外加拉应力下,c相是薄膜较易出现的相,而在外加压应力下薄膜易处于a1a2相。在不同温度场下,模拟非等轴失配应变的PZT薄膜得到不同组分的PZT薄膜的失配应变一外加温度相图。当组分x≤0.7时,相图中出现了正交a1c相,由于非等轴失配应变的存在,使得从顺电相向r相发生相变的过程中,多出了正交a1a2相;同时另一新的四方a1相也出现在沿失配应变正方向e2被拉伸的区域。随着Ti组分的增加,单斜r相的面积缩小且位置下移。之前存在的四相点也变为了三相点,而正交相a1a2相则向相图的中心位置移动。模拟结果对研究外场下铁电薄膜微器件的性能变化具有一定的指导意义。
简介:标题化合物C26H26O5以2,3-萘二甲醛和5-甲基-1,3-环己二酮为原料,在醋酸溶剂中,室温下经搅拌多组分一锅法合成得到.其结构通过单晶X-射线衍射法确定,晶体属单斜晶系,空间群P21,相对分子质量Mr=418.47,晶胞参数a=0.99004(8)nm,b=1.09098(9)nm,c=1.04246(11)nm,V=1.08753(17)nm3,Z=2,晶胞密度Dc=1.278g/cm3,吸收系数μ=0.088mm-1,单胞中电子的数目F(000)=444.晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子为R1=0.0533,wR2=0.1293.在晶体结构中新形成的吡喃环为半椅式构象,而茚中五元环则为信封式构象.
简介:4-(Succinimido)-1-butanesulfonicacidasanefficientandreusableBronstedacidcatalyzedthesynthesisofpyrano[4,3-b]pyranderivativesundersolvent-freeconditions.Thecatalystcanbepreparedbymixingsuccinimideand1,4-butanesultonethatismoresimpleandsaferthanthepreparationofsuccinimidesulfonicacid.Thismethodhastheadvantagesofhighyield,cleanreaction,simplemethodologyandshortreactiontime.Thecatalystcouldberecycledwithoutsignificantlossofactivity.