- Tytuł:
- The structure of Pb-PbO-SiO2 glass via molecular dynamics simulation
- Autorzy:
-
Rybicki, J.
Witkowska, A.
Bergmański, G.
Mancini, G.
Feliziani, S. - Powiązania:
- https://bibliotekanauki.pl/articles/1954650.pdf
- Data publikacji:
- 2022-01-20
- Wydawca:
- Politechnika Gdańska
- Tematy:
-
lead-silicate glasses
oxide glasses
medium-range order
ring analysis
molecular dynamics simulations - Opis:
- The paper is dedicated to a molecular dynamics (MD) study of the structure of partially reduced lead-silicate glass of composition 1Pb 1PbO 1SiO2. The simulations have been performed in the constant volume regime, using a two-body potential (Born-Mayer repulsive forces, and Coulomb forces due to full ionic charges). The system was initially prepared as a well equilibrated hot melt, and then slowly cooled down to 300K. The information on short-range correlations were obtained in a conventional way (from pair and angular distribution functions), while the medium-range order was studied via cation-anion ring analysis. In the paper, the short- and medium-range order in the simulated system is discussed and compared with the structure of a glassy completely reduced system, i.e. 2Pb 1SiO2 and unreduced one, i.e. 2PbO 1SiO2 glass.
- Źródło:
-
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2003, 7, 2; 243-256
1428-6394 - Pojawia się w:
- TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
- Dostawca treści:
- Biblioteka Nauki
Artykuł