화학공학소재연구정보센터
Chemical Physics Letters, Vol.697, 48-52, 2018
Structure, thermal expansion coefficient and phase stability of La-2(Zr0.7Ce0.3)(2)O-7 studied by molecular dynamic simulation and experiment
This paper presents structure, thermal expansion coefficient and phase stability of La-2(Zr0.7Ce0.3)(2)O-7 (LZ7C3) ceramic by both theoretical and experimental results. It was found out that LZ7C3 powders had a pyrochlore structure after being heat-treated at temperatures higher than 1473 K or higher according to XRD and TEM results. The calculated average thermal expansion coefficient (TEC) was 7.12 x 10(-6) K-1, which is a little smaller than experiment result, but changes of calculated average TECs of LZ, YSZ and LZ7C3 had the same trend with experimental results. Finally, the radial distribution function (RDF) was calculated to study the phase stability of LZ7C3. (C) 2018 Published by Elsevier B.V.