Reverse Monte Carlo study on structural order in liquid and glassy AlFe alloys  

作　　者：张景祥 李辉 张洁 宋西贵 边秀房 

机构地区：[1]Key Lab of Liquid Structure and Heredity of Materials,Ministry of Education,School of Materials Science and Engineering,Shandong University [2]School of Information Science and Engineering,University of Jinan

出　　处：《Chinese Physics B》2009年第11期4949-4954,共6页中国物理B（英文版）

基　　金：Project supported partially by the National Natural Science Foundation of China (Grant Nos 50831003 and 50871062);New Century Excellent Talent Program of Ministry of Education of China (Grant No NCET-05-0599);the National Basic Research Program of China (Grant No 2007CB613901);the National Science Foundation for Distinguished Young Scholars of China (Grant No 50625101);the Scientific Research Foundation for Returned Overseas Chinese Scholars, Ministry of Education of China (Grant No JIAO WAI SI LIU2007-1108);the National Science Foundation for Distinguished Young Scholars of Shandong Province, China (Grant No JQ200817)

摘　　要：This paper reports that anomalous local order in liquid and glassy A1FeCe alloy has been detected by x-ray diffraction measurements. The addition of the element Ce has a great effect on this local structural order. The element Ce favours interpenetration of the icosahedra by sharing a common face and edges. It argues that frustration between this short-range order and the long-range crystalline order controls the glass-forming ability of these liquids. The obtained results suggest that a system having a stronger tendency to show local icosahedral order should be a better glass-former. This scenario also naturally explains the close relationship between the local icosahedral order in a liquid, glass-forming ability, and the nucleation barrier. Such topological local order has also been analysed directly using the reverse Monte Carlo method. It also estimated the fraction of local ordered and disordered structural units in a glassy AlFeCe alloy.This paper reports that anomalous local order in liquid and glassy A1FeCe alloy has been detected by x-ray diffraction measurements. The addition of the element Ce has a great effect on this local structural order. The element Ce favours interpenetration of the icosahedra by sharing a common face and edges. It argues that frustration between this short-range order and the long-range crystalline order controls the glass-forming ability of these liquids. The obtained results suggest that a system having a stronger tendency to show local icosahedral order should be a better glass-former. This scenario also naturally explains the close relationship between the local icosahedral order in a liquid, glass-forming ability, and the nucleation barrier. Such topological local order has also been analysed directly using the reverse Monte Carlo method. It also estimated the fraction of local ordered and disordered structural units in a glassy AlFeCe alloy.

关 键 词：reverse Monte Carlo x-ray diffraction （XRD） liquid metal metallic glass 

分 类 号：TG146.21[一般工业技术—材料科学与工程]