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1.
J Phys Condens Matter ; 22(40): 404206, 2010 Oct 13.
Artigo em Inglês | MEDLINE | ID: mdl-21386567

RESUMO

Neutron and high-energy x-ray diffraction measurements have been performed on multi-component 55SiO(2)·10B(2)O(3)·25Na(2)O·5BaO·ZrO(2) borosilicate host glass loaded with 30 wt% UO(3). Both the traditional Fourier transformation technique and the reverse Monte Carlo simulation of the experimental data have been applied to get structural information. It was established that the basic network structure consists of tetrahedral SiO(4) units and of mixed tetrahedral BO(4) and trigonal BO(3) units, similar to the corresponding host glass. Slight changes have been observed in the oxygen surroundings of the Na and Zr modifier cations; both the Na-O and Zr-O distances decrease and a more compact short-range structure has been obtained compared to the host glass. For the U-O correlations two distinct peaks were resolved at 1.84 and 2.24 Å, and for higher distances intermediate-range correlations were observed. Significant correlations have been revealed between U and the network former Si and B atoms. Uranium ions take part in the network forming, which may be the reason for the observed good glassy stability and hydrolytic properties.


Assuntos
Compostos de Boro/química , Vidro/química , Modelos Moleculares , Método de Monte Carlo , Difração de Nêutrons , Silicatos/química , Urânio/química , Difração de Raios X , Simulação por Computador
2.
J Phys Condens Matter ; 19(33): 335209, 2007 Aug 22.
Artigo em Inglês | MEDLINE | ID: mdl-21694132

RESUMO

The structure of 0.7SiO(2)-0.3Na(2)O glass was investigated by means of neutron and high-energy x-ray diffraction. The maximum momentum transfer was 35 and 23.5 Å(-1) for the two experiments. The two datasets were modelled simultaneously by the reverse Monte Carlo simulation technique. By using reasonable constraints it was possible to separate the six partial pair correlation functions. Nearest neighbour distances, coordination numbers and bond angle distributions have been revealed. It was found that 63% of the O atoms are in the bridging position. The Na-O distance is 2.29 Å and the coordination number is 2.5. The Na-Na nearest neighbour distance is 2.6 Å, a value significantly smaller than previously reported. Neighbouring sodium ions tend to be located at the same oxygen atom. The average Si-O ring size is 7.6.

3.
Appl Radiat Isot ; 61(4): 471-7, 2004 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-15246386

RESUMO

Hydrogen distribution and hydride phases were analyzed in reactor fuel cladding pressure tube Zr-1%Nb material up to 13,300 ppm. From neutron diffraction measurements, formation of cubic delta-ZrH2 and a small amount of tetragonal gamma-ZrH was established. Texture effects were analyzed by imaging plate technique. From neutron radiography images a linear model was set up that adequately described the relationship between gray levels and nominal H-concentrations. The H-distribution was unveiled by 3D intensity histograms and fractal analysis of multilevel-segmented neutron radiography images.

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