Molecular dynamics characterization of medium-range order in (AgI)<sub>x</sub>(Ag<sub>2</sub>O-2B<sub>2</sub>O<sub>3</sub>)<sub>1-x</sub> glass
M C Abramo; C Caccamo; G Pizzimenti; M C Abramo; Dipartimento di Fisica, Messina Univ., Italy; C Caccamo; Dipartimento di Fisica, Messina Univ., Italy; G Pizzimenti; Dipartimento di Fisica, Messina Univ., Italy
Журнал:
Journal of Physics: Condensed Matter
Дата:
1993-01-25
Аннотация:
The structural properties of a model (AgI)<sub>x</sub>(Ag<sub>2</sub>O-2B<sub>2</sub>O<sub>3</sub>)<sub>1-x</sub> glass are determined through molecular dynamics (MD) simulation. The total neutron diffraction pattern, reconstructed from the MD partial structure factors, shows a peak at low wavevectors (k approximately=0.9 AA<sup>-1</sup>) in qualitative agreement with neutron diffraction experimental data for the real glass. The overall analysis of the MD structural information permits one to conclude that the medium-range order observed in the glass is due to correlation of AgI clusters, which coexist with the B<sub>2</sub>O<sub>3</sub> network.
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