Binary Lennard-Jones mixtures

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A mixture of Lennard-Jones sites

[edit] Wahnström mixture

[1]

[edit] Kob-Andersen mixture

The Kob-Andersen mixture [2] [3] [4] has the following parameters: \(\epsilon_{\mathrm{AA}} = 1.0\), \(\sigma_{\mathrm{AA}} = 1.0\), \(\epsilon_{\mathrm{AB}} = 1.5\), \(\sigma_{\mathrm{AB}} = 0.8\), \(\epsilon_{\mathrm{BB}} = 0.5\) and \(\sigma_{\mathrm{BB}} = 0.88\). The viscous dynamics of this mixture has been studied by Pedersen, Schrøder and Dyre [5].

[edit] References

  1. Göran Wahnström "Molecular-dynamics study of a supercooled two-component Lennard-Jones system", Physical Review A 44 pp. 3752-3764 (1991)
  2. Walter Kob and Hans C. Andersen "Scaling Behavior in the β-Relaxation Regime of a Supercooled Lennard-Jones Mixture", Physical Review Letters 73 pp. 1376–1379 (1994)
  3. Walter Kob and Hans C. Andersen "Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture I: The van Hove correlation function" Physical Review E 51 4626-4641 (1995)
  4. Walter Kob and Hans C. Andersen "Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture. II. Intermediate scattering function and dynamic susceptibility", Physical Review E 52 4134-4153 (1995)
  5. Ulf R. Pedersen, Thomas B. Schrøder and Jeppe C. Dyre "Repulsive Reference Potential Reproducing the Dynamics of a Liquid with Attractions", Physical Review Letters 105 157801 (2010)

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