Self-Diffusion in Supercooled Binary Liquids

Bosse, J.; Kaneko, Yutaka

doi:10.1103/physrevlett.74.4023

Cited by 84 publications

(53 citation statements)

References 10 publications

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“…For the 3D model, we observe a continuous transition of the tagged particle NEPs (F c, (1) ) ss k (see Appendix A 3 c) to zero by approaching δ ≈ 1/4 from above. This indicates a delocalization transition of the smaller spheres in the glass formed by the bigger ones [25,26,27]. Such a transition is strongly influenced by a 1/k 2 -divergence of the memory kernel for the tagged-particle correlators at k = 0 [28].…”

Section: Resultsmentioning

confidence: 99%

Effect of mixing and spatial dimension on the glass transition

2009

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We study the influence of composition changes on the glass transition of binary hard disc and hard sphere mixtures in the framework of mode coupling theory. We derive a general expression for the slope of a glass transition line. Applied to the binary mixture in the low concentration limits, this new method allows a fast prediction of some properties of the glass transition lines. The glass transition diagram we find for binary hard discs strongly resembles the random close packing diagram. Compared to 3D from previous studies, the extension of the glass regime due to mixing is much more pronounced in 2D where plasticization only sets in at larger size disparities. For small size disparities we find a stabilization of the glass phase quadratic in the deviation of the size disparity from unity.PACS numbers: 64.70.P-, 64.70.Q-, 82.70.Dd

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Section: Resultsmentioning

confidence: 99%

Effect of mixing and spatial dimension on the glass transition

2009

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“…The theory has already been applied to analyze computer-simulation data for a binary soft-sphere mixture [9], a binary Lennard-Jones mixture [10,11], a molecular-dynamics model of a silica melt [12], and of a two-component metallic melt [13]. Also, properties of binary HSM in the limit of large size disparity [14,15,16,17,18] and of charged hard spheres, particularly in their low-density region [19,20,21], have been studied in the framework of MCT. Mixing effects in a binary HSM have been addressed recently using a standard liquid-state mode-coupling approximation, albeit for states of such low density that glassy dynamics does not occur [22,23].…”

Section: Introductionmentioning

confidence: 99%

Effect of composition changes on the structural relaxation of a binary mixture

2003

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Within the mode-coupling theory for idealized glass transitions, we study the evolution of structural relaxation in binary mixtures of hard spheres with size ratios δ of the two components varying between 0.5 and 1.0. We find two scenarios for the glassy dynamics. For small size disparity, the mixing yields a slight extension of the glass regime. For larger size disparity, a plasticization effect is obtained, leading to a stabilization of the liquid due to mixing. For all δ, a decrease of the elastic moduli at the transition due to mixing is predicted. A stiffening of the glass structure is found as is reflected by the increase of the Debye-Waller factors at the transition points. The critical amplitudes for density fluctuations at small and intermediate wave vectors decrease upon mixing, and thus the universal formulas for the relaxation near the plateau values describe a slowing down of the dynamics upon mixing for the first step of the two-step relaxation scenario. The results explain the qualitative features of mixing effects reported by Williams and van Megen [Phys. Rev. E 64, 041502 (2001)] for dynamical light-scattering measurements on binary mixtures of hard-sphere-like colloids with size ratio δ = 0.6.

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“…The T-dependence of these coefficients, D iw and D ow (superscripts "iw" and "ow" stand for the i.p.w. and o.p.w., respectively), was modeled as a power-law D 0 iw,ow (1 − T c / T) γ as predicted [65,66] by the mode coupling theory. The parameters T c and γ were chosen to be the same in both the i.p.w.…”

Section: Results For Protein Unfoldingmentioning

confidence: 99%