Neutron diffraction and RMC modeling of new amorphous molybdate system

18th International School on Condensed Matter Physics: "Challenges of Nanoscale Science: Theory, Materials, Applications"

Fabian, M.^1,2 ; Svab, E.^2 ; Krezhov, K.^3

Centre for Energy Research, P.O.B. 49, Budapest

H-1525, Hungary^1

Wigner Research Centre for Physics, P.O.B. 49, Budapest

H-1525, Hungary^2

Institute for Nuclear Research and Nuclear Energy, 72 Tzarigradsko Chaussee, Sofia

1784, Bulgaria^3

关键词: Atomic correlation;    Boron content;    Coordination number;    Intermediate range order;    Network structures;    Reverse monte carlo simulation;    Ternary glass;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/558/1/012017/pdf
DOI  :  10.1088/1742-6596/558/1/012017

来源: IOP

【 摘 要 】

The network structure of boromolybdate MoO3-Nd2O3-b2O3glasses has been investigated by neutron diffraction and reverse Monte Carlo (RMC) simulation technique. The partial atomic correlation functions, first neighbour atom distances and the coordination numbers have been revealed. Formation of MoO4(55%) and MoO6(45%) units was established for the binary 90MoO3-10Nd2O3 glass. The ternary glasses consist from MoO4, BO3and BO4units. The relative number of BO3is increasing with increasing boron content. Characteristic second neighbour distributions indicate the existence of a pronounced intermediate-range ordering through MoO4-BO4and MoO4-BO3linkages.