Network structure of 0.7SiO2-0.3Na2O glass from neutron and x-ray diffraction and RMC modelling
- 1. Research Institute for Solid State Physics and Optics, H-1525 Budapest, POB 49 (Hungary)
- 2. Los Alamos National Laboratory, Lujan Neutron Scattering Ctr, Los Alamos, NM 87545 (United States)
- 3. Babes-Bolyai University, Faculty of Chemistry, 11 Arany Janos Street, RO-3400 Cluj (Romania)
Description
The structure of 0.7SiO2-0.3Na2O glass was investigated by means of neutron and high-energy x-ray diffraction. The maximum momentum transfer was 35 and 23.5 A-1 for the two experiments. The two datasets were modelled simultaneously by the reverse Monte Carlo simulation technique. By using reasonable constraints it was possible to separate the six partial pair correlation functions. Nearest neighbour distances, coordination numbers and bond angle distributions have been revealed. It was found that 63% of the O atoms are in the bridging position. The Na-O distance is 2.29 A and the coordination number is 2.5. The Na-Na nearest neighbour distance is 2.6 A, a value significantly smaller than previously reported. Neighbouring sodium ions tend to be located at the same oxygen atom. The average Si-O ring size is 7.6
Additional details
Identifiers
- DOI
- 10.1088/0953-8984/19/33/335209;
- PII
- S0953-8984(07)43904-2;
Publishing Information
- Journal Title
- Journal of Physics. Condensed Matter
- Journal Volume
- 19
- Journal Issue
- 33
- Journal Page Range
- p. 335209
- ISSN
- 0953-8984
- CODEN
- JCOMEL
Conference
- Title
- The first eighteen years of reverse Monte Carlo modelling
- Acronym
- 3. workshop on reverse Monte Carlo (RMC)
- Dates
- 28-30 Sep 2006
- Place
- Budapest (Hungary)
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 39047731
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- BOND ANGLE; COMPUTERIZED SIMULATION; COORDINATION NUMBER; CORRELATION FUNCTIONS; DISTANCE; GLASS; MOMENTUM TRANSFER; MONTE CARLO METHOD; NEUTRONS; OXYGEN; SILICON OXIDES; SODIUM IONS; SODIUM OXIDES; X-RAY DIFFRACTION
- Descriptors DEC
- ALKALI METAL COMPOUNDS; BARYONS; CALCULATION METHODS; CHALCOGENIDES; CHARGED PARTICLES; COHERENT SCATTERING; DIFFRACTION; ELEMENTARY PARTICLES; ELEMENTS; FERMIONS; FUNCTIONS; HADRONS; IONS; NONMETALS; NUCLEONS; OXIDES; OXYGEN COMPOUNDS; SCATTERING; SILICON COMPOUNDS; SIMULATION; SODIUM COMPOUNDS