Abstract
We review some of the salient features of glass-forming systems. After a brief discussion of the theoretical approaches that are used to describe the slowing down of the dynamics of these system, notably the theory of Adam and Gibbs and the mode-coupling theory of the glass transition, we present some results of computer simulations that have been done to check the validity of these theories.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
K. Binder and A. P. Young (1986) Spin-glasses – Experimental facts, theoretical concepts, and open questions. Rev. Mod. Phys. 58, p. 801
K. H. Fischer and J. A. Hertz (1991) Spin Glasses. Cambridge University Press, Cambridge
J. Zarzycki (Ed.) (1991) Materials Science and Technology. vol. 9 VCH Publ., Weinheim
A. Feltz (1993) Amorphous Inorganic Materials and Glasses. VCH, Weinheim
P. G. Debenedetti (1997) Metastable Liquids. Princeton University Press, Princeton
A. P. Young (Ed.) (1998) Spin Glasses and Random Fields. World Scientific, Singapore
E.-W. Donth (2001) The Glass Transition Relaxation Dynamics in Liquids and Disordered Materials. Springer, Berlin
K. Binder and W. Kob (2005) Glassy Materials and Disordered Solids: An Introduction to their Statistical Mechanics World Scientific, Singapore
C. A. Angell, P. H. Poole, and J. Shao (1994) Glass-forming liquids, anomalous liquids, and polyamorphism in liquids and biopolymers. Nuovo Cimento D. 16, p. 993
D. R. Uhlmann (1972) A kinetic treatment of glass formation. J. Non-Cryst. Solids. 7, p. 337
C. A. Angell (1985) Fast Ion Conductors in Viscous Liquids and Glasses. In Relaxation in Complex Systems, K. L. Ngai and G. B. Wright (eds.). p. 1, US Dept. Commerce, Springfield
K.-U. Hess, D. B. Dingwell, and E. Rössler (1996) Parametrization of viscosity temperature relations of aluminosilicate melts. Chem. Geol. 128, p. 155
E. Rössler, K.-U. Hess, and V. N. Novikov (1998) Universal representation of viscosity in glass forming liquids. J. Non-Cryst. Solids. 223, p. 207
W. Götze (1989) In Liquids, Freezing and the Glass Transition. Eds.: J. P. Hansen, D. Levesque, and J. Zinn-Justin, Les Houches, Session LI (1991). p. 287, North-Holland, Amsterdam
W. Götze and L. Sjögren (1992) Relaxation processes in supercooled liquids. Rep. Prog. Phys. 55, p. 241
W. Götze (1999) Recent tests of the mode-coupling theory for glassy dynamics. J. Phys.: Condens. Matter. 10, p. A1
S. P. Das (2004) Mode-coupling theory and the glass transition in supercooled liquids. Rev. Mod. Phys. 76, p. 785
J.-P. Hansen and I. R. McDonald (1986) Theory of Simple Liquids. Academic, London
J.-L. Barrat and J.-P. Hansen (2003) Basic Concepts for Simple and Complex Liquids. Cambridge University Press, Cambridge
E. Courtens, M. Foret, B. Hehlen, and R. Vacher (2001) The vibrational modes of glasses. Solid State Commun. 117, p. 187
W. Kauzmann (1948) The nature of the glassy state and the behavior of liquids at low temperatures. Chem. Rev. 43, p. 219
R. Richert and C. A. Angell (1998) Dynamics of glass-forming liquids. V. On the link between molecular dynamics and configurational entropy. J. Chem. Phys. 108, p. 9016
G. Adam and J. H. Gibbs (1965) On temperature dependence of cooperative relaxation properties in glass-forming liquids. J. Chem. Phys. 43, p. 139
J. H. Magill (1967) Physical properties of aromatic hydrocarbons .3. A test of Adam-Gibbs relaxation model for glass formers based on heat-capacity data of 1,3,5-tri-alpha-naphthylbenzene. J. Chem. Phys. 47, p. 2802
C. Alba, L. E. Busse, D. J. List, and C. A. Angell (1990) Thermodynamic aspects of the vitrification of toluene, and xylene isomers, and the fragility of liquid hydrocarbons. J. Chem. Phys. 92, p. 617
C. A. Angell (1997) Entropy and fragility in supercooling liquids. J. Res. NIST. 102, p. 171
H. Tanaka (2003) Relation between thermodynamics and kinetics of glassforming liquids. Phys. Rev. Lett. 90, 055701
R. Zwanzig (1960) Ensemble method in the theory of irreversibility. J. Chem. Phys. 33, p. 1338
H. Mori (1965) Transport collective motion and brownian motion. Prog. Theor. Phys. 33, p. 423
U. Balucani and M. Zoppi (1994) Dynamics of the Liquid State. Oxford University Press, Oxford
U. Balucani, M. H. Lee, and V. Tognetti (2003) Dynamical correlations. Phys. Rep. 373, p. 409
K. Hukushima and K. Nemoto (1996) Exchange Monte Carlo method and application to spin glass simulations. J. Phys. Soc. Japan, 65, p. 1604
R. Yamamoto and W. Kob (2000) Replica-exchange molecular dynamics simulation for supercooled liquids. Phys. Rev. E. 61, p. 5473.
W. Kob and H. C. Andersen (1994) Scaling Behavior in the ß-Relaxation Regime of a Supercooled Lennard-Jones Mixture. Phys. Rev. Lett. 73, p. 1376
W. Kob and H. C. Andersen (1995) Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture: The van Hove correlation function. Phys. Rev. E. 51, p. 4626
W. Kob and H. C. Andersen (1995) Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture II: Intermediate scattering function and Dynamic Susceptibility. Phys. Rev. E. 52, p. 4134
W. Kob (1999) Computer Simulations of Supercooled Liquids and Glasses. J. Phys.: Condens. Matter. 11, p. R85
T. Gleim (1998) Ph.D. Thesis. (Johannes Gutenberg Universität Mainz)
H. Sillescu (1999) Heterogeneity at the glass transition: a review. J. Non-Cryst. Solids. 243, p. 81
M. D. Ediger (2000) Spatially heterogeneous dynamics in supercooled liquids. Ann. Rev. Phys. Chem. 51, p. 99
R. Richert (2002) Heterogeneous dynamics in liquids: fluctuations in space and time. J. Phys.: Condens. Matter. 14, p. R703
R. K. Pathria (1986) Statistical Mechanics. Pergamon Press, Oxford
T. Gleim, W. Kob, and K. Binder (1998) How does the relaxation of a supercooled liquid depend on its microscopic dynamics? Phys. Rev. Lett. 81, p. 4404
G. Szamel and E. Flenner (2004) Independence of the relaxation of a supercooled fluid from its microscopic dynamics: Need for yet another extension of the modecoupling theory. Europhys. Lett. 67, p. 779
J.-L. Barrat, W. Götze, and A. Latz (1989) The liquid glass-transition of the hard-sphere system. J. Phys.: Condens. Matter. 1, p. 7163
W. Götze and L. Sjögren (1991) Beta-relaxation at the glass-transition of hard spherical colloids. Phys. Rev. A. 43, p. 5442
M. Nauroth and W. Kob (1997) A quantitative test of the mode-coupling theory of the ideal glass transition for a binary Lennard-Jones system. Phys. Rev. E. 55, p. 657
F. Sciortino and W. Kob (2001) The Debye-Waller factor of liquid silica: Theory and simulation. Phys. Rev. Lett. 86, p. 648
W. Kob, M. Nauroth, and F. Sciortino (2002) Quantitative tests of modecoupling theory for fragile and strong glass-formers. J. Non-Cryst. Solids. 307– 310, p. 181
W. Götze and L. Sjögren (1987) The glass-transition singularity. Z. Phys. B. 65, p. 415
L. Sjögren (1990) Temperature-dependence of viscosity near the glass-transition. Z. Phys. B. 79, p. 5
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2006 Springer
About this chapter
Cite this chapter
Kob, W. (2006). Computer Simulations of Supercooled Liquids. In: Ferrario, M., Ciccotti, G., Binder, K. (eds) Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 2. Lecture Notes in Physics, vol 704. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-35284-8_1
Download citation
DOI: https://doi.org/10.1007/3-540-35284-8_1
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-35283-9
Online ISBN: 978-3-540-35284-6
eBook Packages: Physics and AstronomyPhysics and Astronomy (R0)