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This paper reports that anomalous local order in
liquid and glassy AlFeCe 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. 相似文献
2.
Inverse Monte Carlo study on effective interaction potential of Ag--Rh alloy from pair correlation functions
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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. 相似文献
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