Powiadomienia systemowe
- Sesja wygasła!
Tytuł artykułu
Autorzy
Wybrane pełne teksty z tego czasopisma
Identyfikatory
Warianty tytułu
Języki publikacji
Abstrakty
In the paper we propose and test a "gel-drying" method of obtaining porous oxide glasses in Molecular Dynamics (MD) simulations. The simulation is started with low (screened) values of ionic charges. Then, the charges are gradually increased (to mimic the gradual elimination of a polar solvent) up to full ionic charges (a completely dry gel). This computational trick is applied to produce a porous PbSiO3 system. The structure of the resulting low-density samples is analysed in detail. Then, the porous structures are submitted to spontaneous densification, and the structure of the obtained dense bulk glasses is analysed. Finally, the structures of bulk glass obtained via spontaneous densification (density p - 8250 kg/m3) and bulk glass of the same density obtained via isotropic compression are compared.
Słowa kluczowe
Rocznik
Tom
Strony
21--38
Opis fizyczny
Bibliogr. 20 poz., rys.
Twórcy
autor
- Department of Solid State Physics, Faculty of Technical Physics and Applied Mathematics Gdansk University of Technology, Narutowicza 11/12, 80-952 Gdansk, Poland
autor
- Department of Solid State Physics, Faculty of Technical Physics and Applied Mathematics Gdansk University of Technology, Narutowicza 11/12, 80-952 Gdansk, Poland
autor
- Department of Solid State Physics, Faculty of Technical Physics and Applied Mathematics Gdansk University of Technology, Narutowicza 11/12, 80-952 Gdansk, Poland
- TASK Computer Centre, Narutowicza 11/12, 80-952 Gdansk, Poland
autor
- Department of Solid State Physics, Faculty of Technical Physics and Applied Mathematics Gdansk University of Technology, Narutowicza 11/12, 80-952 Gdansk, Poland
autor
- Istituto di Matematica e Informatica, Universitâ di Camerino Camerino (MC), Italy
autor
- Istituto di Matematica e Informatica, Universitâ di Camerino Camerino (MC), Italy
autor
- Department of Solid State Physics, Faculty of Technical Physics and Applied Mathematics Gdansk University of Technology, Narutowicza 11/12, 80-952 Gdansk, Poland
- TASK Computer Centre, Narutowicza 11/12, 80-952 Gdansk, Poland
autor
- Department of Solid State Physics, Faculty of Technical Physics and Applied Mathematics Gdansk University of Technology, Narutowicza 11/12, 80-952 Gdansk, Poland
- TASK Computer Centre, Narutowicza 11/12, 80-952 Gdansk, Poland
Bibliografia
- 1] W. G. Hoover, Molecular Dynamics, Lecture Notes in Physics, Springer-Verlag, Berlin, Heidelberg, New York 258 (1986).
- [2] M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Oxford (1997).
- [3] R. W. Hockney and J. W. Eastwood, Computer Simulations Using Paricles, Moscow (in Russian) (1987)
- [4] C. R. A. Catlow, Computer Simulation of Solids, Lecture Notes in Physics, Springer-Verlag, Berlin, Heidelberg, New York, 166 (1982).
- [5] D. C. Rapaport, The Art of MolecularDynamics Simulation, Cambridge (1995).
- [6] A. Rybicka, J. Rybicki, A. Witkowska, S. Feliziani, and G. Mancini, Comput. Meth. Sci. Technol. 5, 67 (1999).
- [7] J. Rybicki, A. Rybicka, A. Witkowska, G. Bergmański, A. Di Cicco, M. Minicucci, and G. Mancini, J. Phys. CM 13, 9781 (2001).
- [8] J. Rybicki, A. Witkowska, G. Bergmański, G. Mancini, and S. Felizaini, The structure of Pb-PbO-SiO2 glass via molecular dynamics, TASK Quart. 7, 243 (2003).
- [9] G. Bergmański, M. Białoskórski, M. Rychcik-Leyk, A. Witkowska, J. Rybicki, G. Mancini, S. Frigio, and S. Feliziani, TASK, Quart. 8, (3) 393 (2004)..
- [10] A. Rybicka, The Structure and properties of lead-silicate and lead-germanate glasses, PhD Thesis, Politechnika Gdańska (1999).
- [11] http://www.uci.agh.edu.pl/alda/mdsim.
- [12] A. Filipponi and A. Di Cicco, Phys. Rev. B 51, 12322 (1995).
- [13] A. Filipponi, J. Phys. Cond. Matter 13, R23 (2001).
- [14] D. S. Yang, D. R. Fazzini, T. I. Morrison, L. Troger, and G. Bunker, J. Non-Cryst. Solids 210, 275 (1997).
- [15] G. Bergmański, J. Rybicki, and G. Mancini, TASK Quart. 4, 555 (2000).
- [16] J. Rybicki, G. Bergmański, and Mancini, J. Non-Cryst. Solids 293-295, 758 (2001).
- [17] http://www.task.gda.pl/software/anelli,
- [18] G. Mancini, TASK Quart. 1, 89 (1997).
- [19] R. Balducci and R. S. Pearlman, J. Chem. Inf. Comput. Sci. 34, 822 (1994).
- [20] G. Mancini, J. Phys. Commun. 143, 187 (2002).
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-article-BUJ8-0024-0074