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. Th...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.展开更多
This paper presents an inverse Monte Carlo method to reconstruct pair interaction potential from pair correlation function. This approach adopts an iterative algorithm on interaction potential to fit known pair correl...This paper presents an inverse Monte Carlo method to reconstruct pair interaction potential from pair correlation function. This approach adopts an iterative algorithm on interaction potential to fit known pair correlation function by compelling deviations of canonical average to meet with Hamiltonian parameters on a basis of statistical mechanism. The effective interaction potential between particles in liquid Ag Rh alloys has been calculated with the inverse Monte Carlo method. It demonstrates an effective and simple way to obtain the effective potential of complex melt systems.展开更多
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)+3 种基金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)
文摘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.
基金Project supported partially by National Natural Science Foundation of China (Grant Nos 50831003 and 50871062)the National Basic Research Program of China (Grant No 2007CB613901)+1 种基金Natural Science Fund for Distinguished Young Scholars of Shandong Province (Grant No JQ200817)National Science Fund for Distinguished Young Scholars (Grant No 50625101)
文摘This paper presents an inverse Monte Carlo method to reconstruct pair interaction potential from pair correlation function. This approach adopts an iterative algorithm on interaction potential to fit known pair correlation function by compelling deviations of canonical average to meet with Hamiltonian parameters on a basis of statistical mechanism. The effective interaction potential between particles in liquid Ag Rh alloys has been calculated with the inverse Monte Carlo method. It demonstrates an effective and simple way to obtain the effective potential of complex melt systems.
