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1、2012年8H弟907—9145(Vol.48No.8Aug.2012pp.907914金4)孕拔ACTAMETALLURGICASINICAZnrAlioo-ir合金快凝过程中微结构演变特性的分子动力学模拟*莫云飞】)刘让苏1)梁永超1)郑乃趨2)周丽丽1)田洋安1)彭平2)1)間圍Q纳眼廿廈电子科铲枫,4100822)間陆幼附料瞬字巧工樹竿降,快拔4100821頼3•炉饰力的翊磁ZnxAli00_x(》=25,5(),75)G警呦蚁1摩N谊耐1胆伦,开通灶泛昂鼾旅丁題例睡SIIHSflHEIB临3:蠡岡豳管
2、增伸徹炎彌盼鮭挣1生.购星肚剔,忙:选1x10*k/s1[,3出哎対巧ZnAl缶觀屋蜃恵1551翊能二ti[伸(12012000)出4®坯內:曰fUlF希加,茹且贬M胃酬&底%MWtSWFT1551泛时整二鼻鉄圃Zn冷筆I5IW?燮■圉為1F爲瞧帧力極删塑留定拳赠压.时购S3)蜃瞒&伞,Zn*A1呈色梔岡比區笳屎勺旳盛比巧妙.恙黄诃蠻咨ZnA1警,慢豐對1,炉片轴力卞胆他旳離苛阿中图融分关号0751,TG139.8龙脑怖迟玛A亲章16号0412-1961(20⑵08—0907-08MOLECULARDYNAMI
3、CSSIMULATIONONTHEEVOLUTIONOFMICROSTRUCTURESOFLIQUIDZn.cAl100-xALLOYSDURINGRAPIDSOLIDIFICATIONMOYunfei»LIURangsu叭LIANGYongchao】),ZHENGNaichao2ZHOULili】),TIANZean】),PENGPing2)1)SchoolofPhysicsandMicroelectronicsScience.HunanUniversity,Changsha4100822)Schoolof
4、MaterialsScienceandEngineering,HunanUniversity,Changsha410082Correspondent:LIURangsu,professor,Tel:(0731)88822817,E-mail:liurangsu^sina.comSupportedbyNationalNaturalScienceFoundationofChina(Nos.50871033,50571037and51071065)Manuscriptreceived2012-02-11,inrevi
5、sedform2012-06-10ABSTRACTAmoleculardynamicssimulationoftherapidsolidificationprocessofliquidZn”Alioo_e@=25,50,75)alloyshasbeenperformed,andtheirmicrostructuralevolutionshavebeenanalyzedbymeansofbondtypeindexmethodofHoneycutt-Andersen(H-A)andcluster-typeindex
6、method・Resultsshowthatatthecoolingrateof1x1012K/sallrapidsolidifiedalloysareamorphousstructureswithmajorityof1551bond—typeandicosahedronalbasicclusterof(12012000).Intherapidsolidificationprocess,apeakofthenumberof1551bond-typeandicosahedronalbasicclusterisdc
7、inonstratcdtoexistatthespecialpointcorrespondingtotheglasstransitiontcinpcraturc(Tg)ofalloys.T®theglassformingability(GFA)andthechemicalshort-rangeorder(&sro)dropwiththeincreaseincontentofZnofZ%Ahoo_©(①=25,50,75)alloys・SegregationandclusteringofZnandAlatomsi
8、nmoltenandrapidsolidifiedalloysarealsodetectedbyPcsroandvisualizationanalysis・KEYWORDSliquidZn-Alalloy,rapidsolidification,moleculardynamicssimulation,clustering*aW50871033,50571037»51071065Jfff