Structure and property of metal melt Ⅱ—Evolution of atomic clusters in the not high temperature range above liquidus  

作　　者：MI GuangBao LI PeiJie HE LiangJu 

机构地区：[1]National Center of Novel Materials for International Research,Tsinghua University,Beijing 100084,China [2]Key Laboratory for Advanced Materials Processing Technology Ministry of Education,Department of Mechanical Engineering,Tsinghua University,Beijing 100084,China

出　　处：《Science China(Physics,Mechanics & Astronomy)》2010年第10期1823-1830,共8页中国科学:物理学、力学、天文学(英文版)

基　　金：supported by the National Basic Research Program of China (Grant No. 2007CB613702);International Cooperation Program in Science and Technology (Grant No. 2007DFC50090)

摘　　要：Based on the theory of micro-inhomogeneity of liquid metal,a calculation model is established for the quantitative description of the structural information of metal melts.Only by thermophysical property parameters and basic structural parameters of solid metal,can this model produce the main information of melt structure,including the relative concentration of active atoms,size of atomic clusters and number of short-range order atoms.Based on this model,the main structural information of Al and Ni melts in the not high range above the liquidus is calculated,with results in good agreement with experimental values.Besides,analyzed is the influence of superheating temperature and atomic number on the melt structural information of the first (IA) and second main group (IIA) elements.With temperature increasing,melt structural information regularly changes for both IA and IIA elements.With the atomic number increasing,melt structural information of IA elements changes regularly,for the crystal structures of the IA elements are all of bcc lattice type.However,no notable regular change of melt structural information for IIA elements has been found,mainly because the lattice type of IIA elements is of hcp-fcc-bcc transition.The present work presents an effective way for better understanding metal melt structure and for forecasting the change of the physical property of metal melts.Based on the theory of micro-inhomogeneity of liquid metal,a calculation model is established for the quantitative description of the structural information of metal melts.Only by thermophysical property parameters and basic structural parameters of solid metal,can this model produce the main information of melt structure,including the relative concentration of active atoms,size of atomic clusters and number of short-range order atoms.Based on this model,the main structural information of Al and Ni melts in the not high range above the liquidus is calculated,with results in good agreement with experimental values.Besides,analyzed is the influence of superheating temperature and atomic number on the melt structural information of the first (IA) and second main group (IIA) elements.With temperature increasing,melt structural information regularly changes for both IA and IIA elements.With the atomic number increasing,melt structural information of IA elements changes regularly,for the crystal structures of the IA elements are all of bcc lattice type.However,no notable regular change of melt structural information for IIA elements has been found,mainly because the lattice type of IIA elements is of hcp-fcc-bcc transition.The present work presents an effective way for better understanding metal melt structure and for forecasting the change of the physical property of metal melts.

关 键 词：liquid metal microinhomogeneity melt structural information atomic cluster calculation model 

分 类 号：O469[理学—凝聚态物理]