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B2型Y基金属间化合物YX(X=Ag,Cu,In,Rh)延性预测

庄厚龙 , 彭平 , 周惦武 , 刘金水

稀有金属材料与工程

采用第一原理赝势平面波方法--CASTEP程序计算了4种B2型Y基金属间化合物YX(X=Ag,Cu,In,Rh)的部分弹性性质,计算结果与文献报道值基本一致.通过Pugh定律、Cauchy压力和泊松比等经验判据,分析并预测了它们的脆性/延性,其延性高低次序为:YRh>YAg>YCu>YIn.电子结构分析表明:这4种金属间化合物良好的延性源于其较强的金属键,而不同程度的Y(d)-X(p)电子杂化则导致了其延性的差异.YIn中因In的p电子较多,杂化程度高,共价键方向性强,因而延展性最低,而YRh则由于存在Y(d)-Rh(d)电子间强的相互作用,增强了其金属键作用,因而延性最好.

关键词: Y基金属间化合物 , 脆性/延性 , 第一原理 , 电子结构

柏子养心丸的毛细管电泳指纹图谱

孙国祥 , 殷瑞娟

色谱 doi:10.3724/SP.J.1123.2011.12085

建立了柏子养心丸(Baizi Yangxin Wan,BZYXW)毛细管区带电泳指纹图谱(CEFP).采用三棱柱优化法优化背景电解质(BGE),以色谱指纹图谱分离量指数(RF)为实验条件优化的目标函数,最终确定BGE为50mmoV/L硼砂-50 mmol/L磷酸氢二钠-200 mmol/L硼酸-150 mmol/L碳酸氢钠(体积比为7:7:1:1,含4%乙腈,pH 9.70).在其他优化的毛细管电泳条件为紫外检测波长228 nm,运行电压12 kV,重力进样25 s(高度14cm)条件下,采用未涂层石英毛细管(70cm(有效分离长度57 cm)× 75μm)分离,以阿魏酸峰为参照,确定了17个共有指纹峰.对样品聚类分析后用其中9批生成对照CEFP(RCEFP),以其为标准,用系统指纹定量法鉴别出12批BZYXW质量为:3批好.1批良好,3批中,1批一般,4批劣.三棱柱优化法为BGE选择提供了重要参考,建立的BZYXW-CEFP精密度好、重现性高,可用于BZYXW的质量控制.

关键词: 毛细管电泳指纹图谱 , 三棱柱优化法 , 系统指纹定量法 , 色谱指纹图谱分离量指数 , 柏子养心丸

高效液相色谱-线性指纹定量法评价人参归脾丸的三波长指纹图谱

孙国祥 , 豆小文 , 杨兰萍 , 刘中博

色谱 doi:10.3724/SP.J.1123.2012.12004

以样品指纹向量与对照指纹向量的多元化学组分间存在线性函数关系为基础,引入相关系数r、斜率a、截距6及线性定性相似度SL、线性定量相似度ML等概念,建立线性指纹定量法(linearly quantified fingerprint method,LQFM)模型以定性、定量控制中药质量.用高效液相色谱-二极管阵列检测法(HPLC-DAD)同时测定了10批人参归脾丸(Renshen Guipi Wan,RSGPW)分别在203、228和326 nm下的高效液相色谱指纹图谱,运用LQFM理论模型,鉴定RSGPW质量.LQFM能显著区别不同来源的产品,同一厂家产品质量控制一致.鉴定结果与已知的系统指纹定量法评价结果对比,LQFM对中药多元化学成分的复杂系统能实现客观的定性、定量评价.多波长指纹图谱能最大限度地兼顾中药各成分的紫外吸收特征,对中药质量控制具有更全面和可靠的特点.

关键词: 高效液相色谱 , 线性指纹定量法 , 三波长指纹图谱 , 人参归脾丸 , 中成药

INVESTIGATION OF HYDROGEN INDUCED DUCTILE BRITTLE TRANSITION IN 7175 ALUMINUM ALLOY

金属学报(英文版)

桑危郑牛樱裕桑牵粒裕桑希巍。希啤。龋伲模遥希牵牛巍。桑危模眨茫牛摹。模眨茫裕桑蹋拧。拢遥桑裕裕蹋拧。裕遥粒危樱桑裕桑希巍。桑巍。罚保罚怠。粒蹋眨停桑危眨汀。粒蹋蹋希?##2##3##4##5INVESTIGATIONOFHYDROGENINDUCEDDUCTILEBRITTLETRANSITIONIN7175ALUMINUMALLOY$R.G.Seng:B.JZhong,MG.ZengandP.Geng(DepartmentofMaterialsScierce,ScienceCollege,NorthearsternUniveisity,Shenyang110006,ChinaMaruscriptreceived4September1995inrevisedform20April1996)Abstrac:Effectsofhydrogenonthemechanicalpropertiesofdifferentlyaged7175aluminumalloyswereinvestigatedbyusingcathodicH-permeation,slowstrainratetensionandsoon.Theresultsindicatethatboththeyieldstressandthepercentagereductionofareadecreasewithincreasinghydrogenchargingtime,andthedegreeofreductiondecreasesasagingtimeincreasesforthesamehydrogenchargingtime.Keywords:hydrogeninducedductile-brittletransition,7175aluminumalloy,mechanicalproperty,cathodicH-permeation1.IntroductionForalongtimehydrogenembrittlementproblemwasthoughttobeabsentinhighstrengthaluminiumalloybecausethesolutiondegreeofhydrogeninaluminumatcommontemperatureandpressureisverysmall.However,hydrogenembrittlementphenomenonwasfoundinaluminumalloyduringtheinvestigationofstresscorrosionandcorrosionfatigue[1-5].Therehavebeenonlyafewreportsofhydrogeninducedsofteningandhardening.Inthispaper,theeffectsofhydrogenonmechanicalpropertiesof7175aluminumalloywereinvestigatedbyusingcathodicalchargingwithhydrogenandslowtensiontests.2.ExperimentalProcedureTheexperimentalmaterialwas7175aluminumalloyforgingintheformofa43mminthicknessandwithcomposition(wt%).5.41Zn,2.54Mg.1.49Cu,0.22Cr,0.1Mn.0.1Ti,0.16Fe.0.11Si,balancedbyA1.Alloyplateof1.5mminthicknesswasobtainedbyhot(465℃)andtoldrollingto83%reductioninthickness.Thelongaxisofhydrogenchargedspecimensisalongtherollingdirection.Allspecimensweresolidsolutionedat480℃for70min,followedtyimmediatequenchinginwaterandthenagedat140℃for6h(A),16h(B)and98h(C).Thetreatmentof6hiscorrespondingtotheunderagedstate.16hthefirstpeak-agedstateand98hthesecondpeak-agedstate.Thespecimenswerepolishedsuccessivelyusingemerypaperbeforehydrogencharging.Thetensilespecimenswerecathodicallychargedina2NH_2SO_4solutionwithasmallamountofAs_2O_3forpromotinghydrogenabsorption,andwithacurrentdensityof20±1mA/cm ̄2atroomtemperature.ThehydrogencontentanalysiswascarriedoutonanLT-1Amodelionmassmicroprobeafterthesputteringdepthreached8nm.Theioncurrentsofhydrogenandaluminuminvariousagedstateswererecordedunderthesamecondition.ThetensiletestswereperformedonanAG-10TAmodeltestmachinewhichwascontrolledbycomputer.3.ExperimentalResultsTheratioofioncurrentstrengthofhydrogentoaluminumisrelatedtohydrogenconcentrationinhydrogenchargedspecimen.TheresultswereshowninTable1Thehydrogencontentincreaseswiththeincreaseincharingtime.Ofthethreeagedstates,theunderagedspecimenhasthehighesthydrogencontent.Theratioofyieldstrengthofhydrogenchargedandunchargedspecimenschangeswithhydrogenchargingtime,asshowninFig.1Itcanbeseenthattheyieldstrengthofhydrogenchargedspecimendecreasewithincreasinghydrogenchargingtime.Atthesamechargingtime,theyieldstressdecreasestheleastinthesecondpeak-agedstate,anddecreasesthemostintheunderagedstate.Itindicatesthattheunderagedspecimenismostsensitivetohydrogeninducedsoftening,whichisconsistentwiththeresultsofanotherhighstrengthaluminumalloy[6].TherelativechangesoftheradioofreductionofareawithhydrogenchargingtimearesummarizedinFig.2,whereΨ ̄0andΨ ̄Harethepercentagereductionofareaofthesamplewithoutandwithhydrogenchargingrespectively.Theradioofreductionofareareduceswhenhydrogenchargingtimeincreases,andthedecreasingdegreeofreductionofareaincreaseswithincreasingagingtime,ie,,theunderagedstateisthemostsensitivetohydrogenembrittlement.4.DiscussionItisknownfromtheresultsabovethatcathodicalchargingwithhydrogenleadstotheobviousdecreaseinthetensilestrengthandplasticityThisisbecausealargeamountofsolidsolutionhydrogenentersthespecimenintheprocessofhydrogenchargingSolidsolutionhydrogenisliabletoenterthecentreofdislocationundertheactionofdislocationtrap,henceraisingthemovabilityofdislocation.Thereforethedislocationsinhydrogenchargedspecimenmoveeasierthaninunchargedspecimen.soresultinginthereductionofyieldstrength[7].Whendislocationstartstomove,thecrystallatticeresistance(P-Nforce)whichitmustovercomeisgivenby:whereμismodulusofshear,visPoissonratio,aisspanofslipplane,bisatomspanofslipdirection.Moreover.theotherresistanceofdislocationmotionmayarisefromtheelasticinteractionofdislocation,theactionwithtreedislocationandetc.,itcanbeexpressedasfollows:whereαisconstant,XisdislocationspanSotheresistanceofdislocationmotioncanbewrittenasfollows:Becausehydrogenatomsreducetheatombondingstrengthafterhydrogencharging,shearmodulusμdecreasesandresultsinthereductionoff,therebytheyieldstressdecreases.Asthecentreofdislocationistheseriousdistortionzoneoflattice.thestresscanberelaxedafterhydrogenatomstuffing,andthesystemenergydecreases.Thusthecentreofdislocationisastrongtrapofhydrogen[8].Therefore,amovabledislocationcaptureshydrogenandmigratestograinboundaries.phaseboundariesorsurfaceofthespecimen,promotingthecrackiesformationandgrowth,thuscausingthelossofplasticity.Sincethelocalenrichmentofhydrogenisrealizedbydislocationtransporting(inthestageofdeformation),thelargerthereductionofyieldstress.theearlierarehydrogenatomstransportedtotheplaceofenrichment.Inaddition,thedamageofatombondingstrengthinducedbyhydrogenmakesthefracturestressdecrease[9]:whereCHishydrogenconcentration.σ_thisfracturestrengthbeforehydrogenchargingandisfracturestrengthafterhydrogencharging.Eq.(4)showsthatthematerialsmaybefracturedatalowerstraini.e.,brittlefractureoccurs.5.Conclusions(1)Hydrogencontentofdifferentlyagedspecimensincreaseswithincreasinghydrogenchargingtimethecapabilityofthealloytoabsorbhydrogeninunderagedstateisthestrongest.(2)Theyieldstressaswellasthepercentagereductionofareaof7175aluminumalloydecreaseashydrogenchargingtimeincreasesundervariousagedstates.(3)Underagedstateismostsensitivetohydrogeninducedsofteningandhardening.(4)Anexplanationwasofferedforthephenomenonofhydrogeninducedsofteninginthestageofdeformation,andhardeninginthestageoffracture.REFERENCES||1G.KKock,Corrosion35(1979)73.2M.K.TsengandH.LMarcus,Scr.Metall.15(1981)427.3PSFao.M.GaoandR.P.Wei,Scr.Metall.19(1985)265.4R.G.SongandM.K.TsengJ.NortheasternUniversity15(1994)5(inChinese).5R.K.Viswanadham,T.S.sunandJ.A.S.Green,Metall.Trans.11A(1980)85.6J.Liu,M.KTsengandB.R.Liu.NonferrousMiningandMetallrgy5(1989)33(inChinese).7LChen,WXChen,ZHLiuandZ.Q.Hu,InFrocofthe1stNationalConfonAl-LiAlloys(Sheryang.China,1991)p.328(inChinese).8Z.HLiuL.ChenW.XChenY.X.ShaoandZ.Q.Hu,InProc.ofthe1stNationalConfonAl-LiAlloys(Shenyang,China,1991)p.334(inChinese).9R.A.OrianiandF.H.Josephic,ActaMetall.22(1974)1065.##61G.KKock,Corrosion35(1979)73.2M.K.TsengandH.LMarcus,Scr.Metall.15(1981)427.3PSFao.M.GaoandR.P.Wei,Scr.Metall.19(1985)265.4R.G.SongandM.K.TsengJ.NortheasternUniversity15(1994)5(inChinese).5R.K.Viswanadham,T.S.sunandJ.A.S.Green,Metall.Trans.11A(1980)85.6J.Liu,M.KTsengandB.R.Liu.NonferrousMiningandMetallrgy5(1989)33(inChinese).7LChen,WXChen,ZHLiuandZ.Q.Hu,InFrocofthe1stNationalConfonAl-LiAlloys(Sheryang.China,1991)p.328(inChinese).8Z.HLiuL.ChenW.XChenY.X.ShaoandZ.Q.Hu,InProc.ofthe1stNationalConfonAl-LiAlloys(Shenyang,China,1991)p.334(inChinese).9R.A.OrianiandF.H.Josephic,ActaMetall.22(1974)1065.##A##BINVESTIGATION OF HYDROGEN INDUCED DUCTILE BRITTLE TRANSITION IN 7175 ALUMINUM ALLOY$$$$R.G.Seng: B.J Zhong, MG. Zeng and P. Geng(Department of Materials Scierce, Science College,Northearstern Univeisity, Shenyang 110006, China Maruscript received 4 September 1995 in revised form 20 April 1996)Abstrac:Effects of hydrogen on the mechanical properties of differently aged 7175 aluminum alloys were investigated by using cathodic H-permeation, slow strain rate tension and so on. The results indicate that both the yield stress and the percentage reduction of area decrease with increasing hydrogen charging time, and the degree of reduction decreases as aging time increases for the same hydrogen charging time.

关键词: :hydrogen induced ductile-brittle transition , null , null , null

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