scholarly journals Impact of short-range order on transport properties of the two-dimensional metalPdCrO2

2015 ◽  
Vol 92 (24) ◽  
Author(s):  
Ramzy Daou ◽  
Raymond Frésard ◽  
Sylvie Hébert ◽  
Antoine Maignan
1997 ◽  
Vol 78 (16) ◽  
pp. 3197-3200 ◽  
Author(s):  
T. G. Perring ◽  
G. Aeppli ◽  
Y. Moritomo ◽  
Y. Tokura

2020 ◽  
Vol 127 (2) ◽  
pp. 025305
Author(s):  
Qi An ◽  
Matthieu Fortin-Deschênes ◽  
Guanghua Yu ◽  
Oussama Moutanabbir ◽  
Hong Guo

1997 ◽  
Vol 12 (1) ◽  
pp. 75-82 ◽  
Author(s):  
M. Kimura ◽  
J. B. Cohen ◽  
S. Chandavarkar ◽  
K. Liang

The short-range order in the near surface region of the Cu3Au(001) face was investigated above the critical temperature by glancing-incidence x-ray diffraction, measuring the diffuse intensity throughout a two-dimensional region of reciprocal space. This intensity was analyzed quantitatively to obtain the two-dimensional Cowley–Warren short-range-order parameters and atomic displacements. Monte-Carlo simulation based on these values has revealed that the atomic configurations in the surface consist of ordered domains and clusters in a disordered matrix. There is a large number of {10} antiphase domain boundaries (APDB).


1997 ◽  
Vol 8 (2) ◽  
pp. 109-121 ◽  
Author(s):  
S.-J. Hwang ◽  
C. Fernandez ◽  
J.P. Amoureux ◽  
J. Cho ◽  
S.W. Martin ◽  
...  

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Konstantinos T. Karalis ◽  
Dimitrios Dellis ◽  
Georgios S. E. Antipas ◽  
Anthimos Xenidis

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).


2003 ◽  
Vol 67 (4) ◽  
Author(s):  
L. Ottaviano ◽  
B. Ressel ◽  
C. Di Teodoro ◽  
G. Profeta ◽  
S. Santucci ◽  
...  

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