scholarly journals Erratum: Bona-fide method for the determination of short range order and transport properties in a ferro-aluminosilicate slag

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Konstantinos T. Karalis ◽  
Dimitrios Dellis ◽  
Georgios S. E. Antipas ◽  
Anthimos Xenidis
Keyword(s):  
Transport Properties ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Bona Fide ◽  
Aluminosilicate Slag

scholarly journals Bona-fide method for the determination of short range order and transport properties in a ferro-aluminosilicate slag

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Konstantinos T. Karalis ◽  
Dimitrios Dellis ◽  
Georgios S. E. Antipas ◽  
Anthimos Xenidis
Keyword(s):  
Electrical Conductivity ◽  
Heat Capacity ◽  
Transport Properties ◽  
Short Range ◽  
Short Range Order ◽  
Mass Density ◽  
Range Order ◽  
Bona Fide ◽  
Aluminosilicate Slag

Abstract The thermodynamics, structural and transport properties (density, melting point, heat capacity, thermal expansion coefficient, viscosity and electrical conductivity) of a ferro-aluminosilicate slag have been studied in the solid and liquid state (1273–2273 K) using molecular dynamics. The simulations were based on a Buckingham-type potential, which was extended here, to account for the presence of Cr and Cu. The potential was optimized by fitting pair distribution function partials to values determined by Reverse Monte Carlo modelling of X-ray and neutron diffraction experiments. The resulting short range order features and ring statistics were in tight agreement with experimental data and created consensus for the accurate prediction of transport properties. Accordingly, calculations yielded rational values both for the average heat capacity, equal to 1668.58 J/(kg·K), and for the viscosity, in the range of 4.09–87.64 cP. The potential was consistent in predicting accurate values for mass density (i.e. 2961.50 kg/m3 vs. an experimental value of 2940 kg/m3) and for electrical conductivity (5.3–233 S/m within a temperature range of 1273.15–2273.15 K).

A NEUTRON DIFFRACTION DETERMINATION OF SHORT RANGE ORDER IN A Ni63.7Zr36.3 GLASS

1985 ◽  
Vol 46 (C8) ◽  
pp. C8-87-C8-92 ◽  
Author(s):  
R. Bellissent ◽  
J. Bigot ◽  
Y. Calvayrac ◽  
S. Lefebvre ◽  
A. Quivy
Keyword(s):  
Neutron Diffraction ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Diffraction Determination

X-ray determination of atomic short-range order in the spin-glass systemAuFe

1982 ◽  
Vol 25 (11) ◽  
pp. 6995-7002 ◽  
Author(s):  
E. Dartyge ◽  
H. Bouchiat ◽  
P. Monod
Keyword(s):  
Spin Glass ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
X Ray

Determination ofB-cation chemical short-range order in perovskites from the total pair-distribution function

2008 ◽  
Vol 41 (2) ◽  
pp. 386-392 ◽  
Author(s):  
Victor Krayzman ◽  
Igor Levin
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Short Range ◽  
Short Range Order ◽  
Structural Models ◽  
Range Order ◽  
Cation Order ◽  
Powder Samples ◽  
Complex Perovskites

Short-rangeB-cation order affects the functional properties of many complex perovskites. However, current ability to measure the characteristics of such chemical short-range order (SRO) in perovskite-structured ceramics is limited. In the present study, two distinct methods are compared for the determination of theB-cation SRO parameters from the total scattering pair-distribution function (PDF). Both methods rely on reverse Monte Carlo refinements of the structural models but differ in the procedures used to extract the SRO characteristics. The accuracy of these methods was tested using synthetic PDF data generated for models of prototype Ca(Zr,Ti)O3solid solutions. One of the approaches developed in the present study, which proved to yield the most accurate results, was used to analyze the SRO of Ti and Zr in powder samples of Ca(Zr,Ti)O3.

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