The structure of Pb-PbO-SiO2 glass via molecular dynamics simulation

• Autorzy: Rybicki J. , Witkowska A. , Bergmański G. , Mancini G. , Feliziani S.
• Języki publikacji: EN

Abstrakty

EN

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.

Słowa kluczowe

EN

lead-silicate glasses; oxide glasses; medium-range order; ring analysis; molecular dynamics simulations

• Wydawca: Politechnika Gdańska
• Czasopismo: TASK Quarterly : scientific bulletin of Academic Computer Centre in Gdansk
• Rocznik: 2003
• Tom: Vol. 7, No 2
• Strony: 243--256
• Opis fizyczny: Bibliogr. 42 poz., rys., tab.

Twórcy

autor

Rybicki J.

• Faculty of Technical Physics and Applied Mathematics, Gdańsk University of Technology, Narutowicza 11/12, 80-952 Gdańsk, Poland
• TASK Computer Centre, Gdansk University ofTechnology, Narutowicza 11/12, 80-952 Gdanski, Poland

autor

Witkowska A.

• Faculty of Technical Physics and Applied Mathematics, Gdańsk University of Technology, Narutowicza 11/12, 80-952 Gdańsk, Poland
• TASK Computer Centre, Gdansk University ofTechnology, Narutowicza 11/12, 80-952 Gdanski, Poland

autor

Bergmański G.

• Faculty of Technical Physics and Applied Mathematics, Gdańsk University of Technology, Narutowicza 11/12, 80-952 Gdańsk, Poland

autor

Mancini G.

• INFM UdR Camerino, Universita di Camerino, via Madonna della Carceri, I-62032 Camerino (MC), Italia

autor

Feliziani S.

• INFM UdR Camerino, Universita di Camerino, via Madonna della Carceri, I-62032 Camerino (MC), Italia

• Faculty of Technical Physics and Applied Mathematics, Gdańsk University of Technology, Narutowicza 11/12, 80-952 Gdańsk, Poland,

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