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A new program package for structural analysis of computer simulated solids

Treść / Zawartość
Identyfikatory
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
The opportunity to gain detailed information on representative set of rings and chains of atoms is of great importance in the analysis of medium-range order in the computer simulated structures of solids. A new program package (ANELLI) for ring and chain analysis of computer simulated atomic structures is presented. The paper includes detailed description of input and output files. The package presentation is followed by exemplary results obtained using our programs.
Rocznik
Strony
555--573
Opis fizyczny
Bibliogr 23 poz., rys.
Twórcy
  • Department of Solid State Physics, Faculty of Technical Physics and Applied Mathematics, Technical University of Gdansk, Narutowicza 11/12, 80-952 Gdansk, Poland
autor
  • Department of Solid State Physics, Faculty of Technical Physics and Applied Mathematics, Technical University of Gdansk, Narutowicza 11/12, 80-952 Gdansk, Poland
  • TASK Computer Centre, Narutowicza 11/12, 80-952 Gdansk, Poland
autor
  • INFM, UdR Camerino, Istituto di Matematica e Fisica, Universit `a di Camerino, Madonna delle Carceri, Camerino (MC), Italy
Bibliografia
  • [1] Hockney R W and Eastwood J W 1987 Computer Simulations using Particles, McGraw-Hill
  • [2] Allen M P and Tildesley D J 1997 Computer Simulation of Liquids, Clarendon Press, Oxford
  • [3] Rapaport D C 1995 The Art of Computer Simulation, University Press, Cambridge
  • [4] Falken D and Jonsson H 1994 Comput. Matter. Sci. 2 279
  • [5] Finney J L 1970 Proc. Roy. Soc. London, Ser. A 319 479, ibid. 495
  • [6] Brostow W, Chybicki M, Laskowski R and Rybicki J 1998 Phys Rev. B57 13448
  • [7] Rybicki J, Laskowski R and Feliziani S 1996 Comp. Phys. Commun. 97 185
  • [8] Rybicki J, Laskowski R, Alda W and Mancini G 1996 Proc. Int. Conf.on Physics Computing, Cracow, p. 167
  • [9] Downs G M, Gillet V J, Holliday J D and Lynch M F 1989 J. Chem. Inf. Comput. Sci. 29 172
  • [10] Balducci R and Pearlman R S 1994 J. Chem. Inf. Comput. Sci. 34 822
  • [11] Balducci R 1998 (private information)
  • [12] Mancini G 1997 TASK Quartertly 1 89
  • [13] Mancini G 2000 Comp. Phys. Commun. (submitted)
  • [14] Rybicka A 1999 Structure and properties of lead-silicate and lead-germanate glasses: simulations using particles, PhD Thesis, Technical University of Gdansk, Gdansk
  • [15] Rybicka A, Chybicki M, Mancini G, Feliziani S and Bergmanski G 1997 Proc. of the Fourth Int. Conf. on Intermolecular Interactions in Matter, Lublin, p. 42
  • [16] Rybicka A, Rybicki J, Witkowska A, Mancini G and Feliziani S 1999 Comp. Meth. Sci. Techn. 5 67
  • [17] http://www.rcsb.org/pdb/
  • [18] Alda W 1999 unpublished
  • [19] Andersen H C 1980 J. Chem. Phys. 72 2384
  • [20] Damodaran K V, Rao B G and Rao K J 1990 Chem. Phys. Glasses 31 212
  • [21] Hamann D R 1997 Phys. Rev. B 55 14784
  • [22] Pan Z, Henderson D O and Morgan S H 1994 J. Non-Cryst. Solids 171 134
  • [23] Witkowska A, Rybicki J, Trzebiatowski K, Di Cicco A and Minicucci M 2000 J. Non-Cryst. Solids 276 19
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-article-BAT3-0018-0013
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