Modeling of continuous random networks: A case study for vitreous GeO2. II. Topological analysis and refinement

Journal of Non-Crystalline Solids

Volumn 244, Issue 2, 1999, Pages 112-127

  Wefing, Stephan ^a,b  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b FRAUNHOFER INSTITUTE FOR APPLIED INFORMATION TECHNOLOGY FIT   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CORRELATION METHODS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; OXIDES;

CONJUGATE GRADIENT METHOD; CONTINUOUS RANDOM NETWORK (CRN); GERMANIA; REVERSE MONTE CARLO (RMC) METHOD;

GERMANIUM COMPOUNDS;

EID: 0032679667     PISSN: 00223093     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-3093(99)00013-7     Document Type: Article

References (32)

1. H. Zachariasen, J. Am. Chem. Soc. 54 (1932) 3841.
2. S. Wefing, this issue, p. 89.
3. J.A.E. Desa, A.C. Wright, R.N. Sinclair, A Neutron Diffraction Investigation of the Structure of Vitreous Germania, Report AERE-R12815 Harwell Lab. (1987).
4. J.A.E. Desa, A.C. Wright, R.N. Sinclair, J. Non-Cryst. Solids 99 (1988) 276.
5. M.P. Allen, D.J. Tildesley, Computer Simulations of Liquids, Clarendon, Oxford, 1987.
6. J.D. Bernal, Proc. Roy. Soc. A 280 (1964) 299.
7. R. Kaplow, T.A. Rowe, B.L. Averbach, Phys. Rev. 168 (1968) 1068.
8. R.A. Ligero, J. Vázquez, P. Villares, R. Jiménez-Garay, Mater. Lett. 5 (1987) 301.
9. D.A. Keen, R.L. McGreevy, Nature 344 (1990) 423.
10. L.F. Gladden, in: L.D. Pye, W.C. La Course, H.J. Stevens (Eds.), The Physics of Non-Crystalline Solids, Taylor and Francis, London, 1992, p. 91.
11. M. Bionducci, F. Buffa, G. Licheri, A. Musini, G. Navarra, G. Piccaluga, J. Non-Cryst. Solids 177 (1994) 137.
12. H. Uhlig, M.J. Hoffmann, H.-P. Lamparter, F. Aldinger, R. Bellissent, S. Steeb, J. Am. Ceram. Soc. 79 (1996) 2839.
13. A.C. Wright, J. Non-Cryst. Solids 159 (1993) 264.
14. T.H. Cormen, C.E. Leiserson, R.L. Rivest, Introduction to Algorithms, MIT, Cambridge, MA, 1990.
15. F. Harary, Graph Theory, Addison-Wesley, Reading, MA, 1969.
16. M.R. Garey, D.S. Johnson, Computers and Intractability: A Guide to the Theory of NP-Completeness, Freeman, San Francisco CA, 1979.
17. C. Bron, J. Kerbosch, Commun. ACM 16 (1973) 575.
18. J.R. Ullmann, J. Assoc. Comput. Mach. 23 (1976) 31.
19. I. Koch, T. Lengauer, E. Wanke, J. Comp. Biol. 3 (1996) 2.
20. R. Tarjan, SIAM J. Comput. 1 (1972) 146.
21. P.N. Keating, Phys. Rev. 145 (1966) 637.
22. R. Diamond, Acta Crystallogr. A44 (1988) 211.
23. It turned out, however, that the RMSDs calculated with and without the optimization were virtually identical in all cases.
24. S. Kirkpatrick, C.D. Gelatt, M.P. Vecchi, Science 220 (1983) 671.
25. E. Lorch, J. Phys. C2 2 (1969) 229.
26. P. Debye, Ann. Physik 46 (1915) 809.
27. E.O. Brigham, The Fast Fourier Transform, Prentice-Hall, Englewood Cliffs, NJ, 1974.
28. H.J. Seifert, H. Nowotny, E. Hauser, Monatsh. Chem. 102 (1971) 1006.
29. J.D. Jorgensen, J. Appl. Phys. 49 (1978) 5473.
30. A.J. Leadbetter, A.C. Wright, J. Non-Cryst. Solids 7 (1972) 37.
31. A.C. Wright, J. Non-Cryst. Solids 179 (1994) 84.
32. J. Neuefeind, K.-D. Liss, Ber. Bunsenges. Phys. Chem. 100 (1996) 1341.