Finite size effects in simulations of glass dynamics.
作者： Jürgen Horbach , Walter Kob , Kurt Binder , C. Austen Angell
DOI: 10.1103/PHYSREVE.54.R5897
关键词: Scattering function 、 Mean squared displacement 、 Molecular physics 、 Relaxation (physics) 、 Physics 、 Molecular dynamics 、 Dynamics (mechanics)
摘要: We present the results of a molecular dynamics computer simulation in which we investigate silica. By considering different system sizes, show that simulations this strong glass former surprisingly large finite size effects are present. In particular, demonstrate relaxation times incoherent intermediate scattering function and time dependence mean squared displacement affected by such effects. compressing to high densities, transform it fragile find for these types much weaker.
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sci-hub.se 参考文章(12)
R. G. Palmer, Relaxation in complex systems LNP. ,vol. 275, pp. 275- 286 ,(1987) , 10.1007/BFB0057523
C. A. Angell, J. H. R. Clarke, L. V. Woodcock, Interaction Potentials and Glass Formation: A Survey of Computer Experiments Advances in Chemical Physics. pp. 397- 453 ,(2007) , 10.1002/9780470142684.CH5
J L Barrat, M L Klein, Molecular Dynamics Simulations of Supercooled Liquids near the Glass Transition Annual Review of Physical Chemistry. ,vol. 42, pp. 23- 53 ,(1991) , 10.1146/ANNUREV.PC.42.100191.000323
C. A. Angell, P. H. Poole, J. Shao, Glass-forming liquids, anomalous liquids, and polyamorphism in liquids and biopolymers Il Nuovo Cimento D. ,vol. 16, pp. 993- 1025 ,(1994) , 10.1007/BF02458784
J. Habasaki, I. Okada, Y. Hiwatari, Origins of the two-step relaxation and the boson peak in an alkali silicate glass studied by molecular-dynamics simulation Physical Review E. ,vol. 52, pp. 2681- 2687 ,(1995) , 10.1103/PHYSREVE.52.2681
Giorgio F. Signorini, Jean‐Louis Barrat, Michael L. Klein, Structural relaxation and dynamical correlations in a molten state near the liquid–glass transition: A molecular dynamics study Journal of Chemical Physics. ,vol. 92, pp. 1294- 1303 ,(1990) , 10.1063/1.458139
Walter Kob, Hans C. Andersen, Scaling Behavior in the β -Relaxation Regime of a Supercooled Lennard-Jones Mixture Physical Review Letters. ,vol. 73, pp. 1376- 1379 ,(1994) , 10.1103/PHYSREVLETT.73.1376
U Buchenau, M Prager, N Nücker, AJ Dianoux, N Ahmad, WA Phillips, None, Low-frequency modes in vitreous silica Physical Review B. ,vol. 34, pp. 5665- 5673 ,(1986) , 10.1103/PHYSREVB.34.5665
E. Rössler, A. P. Sokolov, A. Kisliuk, D. Quitmann, Low-frequency Raman scattering on different types of glass formers used to test predictions of mode-coupling theory. Physical Review B. ,vol. 49, pp. 14967- 14978 ,(1994) , 10.1103/PHYSREVB.49.14967
Laurent J. Lewis, Göran Wahnström, Molecular-dynamics study of supercooled ortho-terphenyl. Physical Review E. ,vol. 50, pp. 3865- 3877 ,(1994) , 10.1103/PHYSREVE.50.3865