Model Calculation for the Fe80B20 Alloy Glass

1982 ◽  
Vol 37 (6) ◽  
pp. 611-612 ◽  
Author(s):  
T. Fujiwara ◽  
H. S. Chen ◽  
Y. Waseda

Abstract Three partial radial distribution functions [RDF’s] are calculated by means of relaxed dense-random packing models for a Fe80B20 glass. The model structures reproduce fairly well recently reported experimental partial RDF's derived from x-ray diffraction and neutron diffraction using isotopic substitutional methods. Most significantly, both the model calculated by means of relaxed dense-random packing models GBB (r), the appearance of a subpeak on the short distance side of the first peak.

1991 ◽  
Vol 46 (7) ◽  
pp. 605-608 ◽  
Author(s):  
E. Matsubara ◽  
Y. Waseda ◽  
A. P. Tsai ◽  
A. Inoue ◽  
T. Masumoto

A structural study of an as-quenched decagonal Al75Fe15Ni10 alloy has been carried out by anomalous x-ray scattering (AXS) as well as ordinary x-ray diffraction. The environmental radial distribution functions (RDFs) for Fe and Ni determined by the AXS measurements turned out to resemble each other and to be similar to the ordinary RDF obtained by ordinary x-ray diffraction. These results clearly show that the Ni and Fe atoms are homogeneously distributed and occupy the same sites in the decagonal structure of Al75Fe15Ni10.


2005 ◽  
Vol 38 (6) ◽  
pp. 1020-1027 ◽  
Author(s):  
V. I. Korsunskiy ◽  
R. B. Neder

An algorithm to simulate the radial distribution functions (RDFs) for systems of complex chemical composition is presented which takes into account the exact formulae of the RDF theory in the case of X-ray diffraction. The representation of the partial RDFs of the structural models by histograms allows the method to be used for a wide set of models, for example structures generated with stochastic simulations like the Monte Carlo method. The sensitivity of the results in relation to histogram step size and histogram noise is investigated. A step size of about half the full width at half-maximum (FWHM) of the partial RDF peaks is sufficiently small to make the algorithm reasonably insensitive to the particular step size and to histogram noise. A solution is proposed to calculate the RDF for powders of nanocrystalline particles with complex structures, for which not all interatomic distances can be defined accurately.


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