The structure of rarefied and densified PbGeO3 and PbGeO2 glasses : a molecular dynamics study

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

Abstrakty

EN

The paper is dedicated to a molecular dynamics (MD) study of the structure of rarefied and densified lead-germanate glasses, of compositions PbGeO3 and PbGeO2. The simulations have been performed at constant volume for systems with densities of 3000, 4000, 5000, 6285 (normal density), 7000, and 8000 kg/m3, using a two-body potential (Born-Mayer repulsive forces, and Coulomb forces due to full ionic charges). All the systems were initially prepared as well equilibrated hot melts, and then slowly cooled down to 300 K. The information on short-range correlations was obtained in a conventional way (from radial and angular distribution functions), while the middle-range order was studied via cation-anion ring analysis. In the paper, the short- and medium-range order in the rarefied and densified glasses is discussed and compared with the structure of the PbGeO3 and PbGeO2 glasses at normal conditions.

• Wydawca: Institute of Bioorganic Chemistry Scientific Publishers OWN, Polish Academy of Sciences
• Czasopismo: Computational Methods in Science and Technology
• Rocznik: 2001
• Tom: Vol. 7, nr 1
• Strony: 91--112
• Opis fizyczny: Bibliogr. 43 poz., wykr.

Twórcy

autor

Rybicki J.

• Department of Solid State Physics, Faculty of Technical Physics and Applied Mathematics Technical University of Gdańsk, Narutowicza 11/12, 80-952 Gdańsk, Poland
• TASK Computer Centre, Narutowicza 11/12, 80-952 Gdańsk, Poland

autor

Witkowska A.

• Department of Solid State Physics, Faculty of Technical Physics and Applied Mathematics Technical University of Gdańsk, Narutowicza 11/12, 80-952 Gdańsk, Poland
• TASK Computer Centre, Narutowicza 11/12, 80-952 Gdańsk, Poland

autor

Bergmański G.

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

autor

Bośko J.

• Department of Solid State Physics, Faculty of Technical Physics and Applied Mathematics Technical University of Gdańsk, Narutowicza 11/12, 80-952 Gdańsk, Poland
• TASK Computer Centre, Narutowicza 11/12, 80-952 Gdańsk, Poland

autor

Mancini G.

• INFM UdR Camerino, Istituto di Matematica e Fisica, Universita di Camerino Madonna delle Carceri, Camerino (MC), Italy

autor

Feliziani S.

• INFM UdR Camerino, Istituto di Matematica e Fisica, Universita di Camerino Madonna delle Carceri, Camerino (MC), Italy

Bibliografia

• [1] Ruller J. A., Shelby J. E., Phys. Chem. Glass., 33, 177 (1992).
• [2] Dumbaugh W., Lapp J. C., J. Am. Ceram. Soc., 75, 2315 (1992).
• [3] Yamada K., Matsumoto A., NiimuraN., Fukunaga T., Hayashi N., Watanabe N., J. Phys. Soc. Jap., 55, 831 (1986).
• [4] Cormier G., Peres T., Capobianco J. A., J. Non-Cryst. Sol., 195, 125 (1996).
• [5] Feltz A., Amorphous Inorganic Materials and Glasses, VCH, Weinheim 1993.
• [6] Lezal D., Pedlikova J. I., Hovak J., J. Non-Cryst Sol, 196,178 (1996).
• [7] Rajiv W. J., Kalia K„ Vashishta P, Rino J. P., Phys. Rev., B50, 118 (1994).
• [8] Olivi-Tran N., Jullien R„ Phys. Rev., B52, 258 (1995).
• [9] Valle R. G. D., Venuti E, Phys. Rev., B54, 3809 (1996).
• [10] Rat E., Foret M., Courtens E., Vacher R., Arai M., Phys. Rev. Lett, 83, 1355 (1999).
• [11] Vacher R, Courtens E, Foret M, Hehlen B, Rat E, Casalta H, Dorner B, Physica, B276-278, 427 (2000).
• [12] Ishikawa K, Uchiyama Y., Ogawa H, Fujimura S, Appl. Surf. Sci, 117-118, 212 (1997).
• [13] Zhu D. M, Weng H. F, J. Non-Cryst. Sol, 185, 262 (1995).
• [14] Woignier T., Duffours L., Phalippou J., J. Non-Cryst. Sol, 194, 283 (1996).
• [15] Hiramatsu A., Arai M., Shibazaki H, Tsunekawa M., Otomo T., Hannon A. C., Bennington S. M., Physica, B219-220, 287 (1996).
• [16] Vogel E. M., Grabow M. H, Martin S. W, J. Non-Cryst. Sol, 204, 95 (1996).
• [17] Tan C. Z„ Arndt J, Xie H. S, Physica, B252, 28 (1998).
• [18] Tan C. Z., Arndt J, J. Non-Cryst Sol, 249, 47 (1999).
• [19] Inamura Y., Arai M, Nakamura M, Otomo T, Kitamura N, Bennington S. M, Hannon A. C, J. Non-Cryst. Sol, (2000) in print.
• [20] Hannon A. C., 2000 - private communication.
• [21 ] Rybicka A., The structure and properties of lead-silicate and lead-germanate glasses: a molecular dynamics study, PhD thesis, Technical University of Gdansk, Gdansk 1999.
• [22] Brostow W., Chybicki M, Laskowski R, Rybicki J, Phys. Rev, B57, 13448 (1998).
• [23] Laskowski R., Rybicki J, Chybicki M, TASK Quart, 1, 96 (1997).
• [24] Laskowski R., TASK Quart, 4, 531 (2000).
• [25] Rybicki J., Laskowski R, Feliziani S, Comp. Phys. Commun, 97 185 (1996).
• [26] Balducci R., Pearlman R. S„ J. Chem. Inf. Comput. Sci, 34, 822 (1994).
• [27] Mancini G., TASK Quart, 1, 89 (1997).
• [28] Mancini G., Comp. Phys. Commun. (2000) submitted.
• [29] Bergmański G., Rybicki J., Mancini G„ TASK Quart., 4, 555 (2000).
• [30] Rybicki J., Bergmanski G., Mancini G., J. Non-Cryst. Sol., (2000) submitted.
• [31] Mazurin O. W., Strielcina M. W., Szwajko-Szwajkowskaja T. P., Svoistva stiekol i stiekloobrazuiuszczich rasplavov, vol. II, Nauka, Leningrad 1982.
• [32] Mazurin O. W., Strielcina M. W., Szwajko-Szwajkowskaja T. P., Svoistva stiekol i stiekloobrazuiuszczich rasplavov, vol. V, Nauka, Leningrad 1987.
• [33] Filipponi A., J. Phys. CM, 6, 8415 (1994).
• [34] D'Angelo P., Di Nola A., Filipponi A., Pavel N. V., Roccatano D„ J. Chem. Phys., 100, 985 (1994).
• [35] Filipponi A., Di Cicco A., Phys. Rev., B51,12322 (1995).
• [36] Medvedev N. N., Naberukhin Y. I., J. Non-Cryst. Sol., 94, 402 (1987).
• [37] Ribeiro S. L., Dexpert-Ghys J., Piriou B„ Mastelaro V. R„ J. Non-Cryst. Sol., 159, 213 (1993).
• [38] Ruller J. A., Shaw C. M„ Shelby J. E„ Phys. Chem. Glass., 33, 161 (1992).
• [39] Umesaki N„ Brunier T. M„ Wright A. C„ Hannon A. C., Sinclair R. N„ Physica, B213-214, 490 (1995).
• [40] Červinka L., J. Non-Cryst. Sol., (2000) in print.
• [41] Rybicki J., Witkowska A., Bosko J„ Mancini G., Feliziani S., Opt. Appl., 30, 701 (2000).
• [42] King S. V., Nature, 213, 1112 (1967).
• [43] Hamann D. R. Phys. Rev., B55, 14784 (1997).