Published July 9, 2003
| Version v1
Journal article
Matrix-controlled channel diffusion of sodium in amorphous silica
Creators
- 1. Laboratoire des Verres, Universite Montpellier 2, Place E. Bataillon Case 069, 34095 Montpellier (France)
- 2. Laboratoire de Physicochimie de la Matiere Condensee, Universite Montpellier 2, Place E. Bataillon Case 003, 34095 Montpellier (France)
Description
To find the origin of the diffusion channels observed in sodium silicate glasses, we have performed classical molecular dynamics simulations of Na2O-4SiO2 during which the mass of the Si and O atoms has been multiplied by a tuning coefficient. We observe that the channels disappear and that the diffusive motion of the sodium atoms vanishes if this coefficient is larger than a threshold value. Above this threshold the vibrational states of the matrix are not compatible with those of the sodium ions. We thus interpret the decrease of the diffusion by the absence of resonance conditions. (letter to the editor)
Availability note (English)
Available online at http://stacks.iop.org/0953-8984/15/L431/c326l2.pdf or at the Web site for the Journal of Physics. Condensed Matter (ISSN 1361-648X) http://www.iop.org/Additional details
Identifiers
- URL
- http://stacks.iop.org/0953-8984/15/L431/c326l2.pdf; http://www.iop.org/;
- DOI
- 10.1088/0953-8984/15/26/102;
- PII
- S0953-8984(03)63328-X;
Publishing Information
- Journal Title
- Journal of Physics. Condensed Matter
- Journal Volume
- 15
- Journal Issue
- 26
- Journal Page Range
- p. L431-L437
- ISSN
- 0953-8984
- CODEN
- JCOMEL
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 35003261
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- AMORPHOUS STATE; COMPUTERIZED SIMULATION; DIFFUSION; MOLECULAR DYNAMICS METHOD; SILICA; SODIUM; SODIUM SILICATES; VIBRATIONAL STATES
- Descriptors DEC
- ALKALI METAL COMPOUNDS; ALKALI METALS; CALCULATION METHODS; ELEMENTS; ENERGY LEVELS; EXCITED STATES; METALS; MINERALS; OXIDE MINERALS; OXYGEN COMPOUNDS; SILICATES; SILICON COMPOUNDS; SIMULATION; SODIUM COMPOUNDS