Computing the viscosity of supercooled liquids
نویسندگان
چکیده
منابع مشابه
Computing the viscosity of supercooled liquids.
We describe an atomistic method for computing the viscosity of highly viscous liquids based on activated state kinetics. A basin-filling algorithm allowing the system to climb out of deep energy minima through a series of activation and relaxation is proposed and first benchmarked on the problem of adatom diffusion on a metal surface. It is then used to generate transition state pathway traject...
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Under normal liquid conditions (at equilibrium or when moderately super cooled), molecular rotational and translational diffusion adhere closely to the sim ple Stokes-Einstein-Debye hydrodynamic model. Deeply supercooled "fragile" liquids present a striking exception, with translational diffusion alone occurring up to 102 — 103 times "too fast". This anomaly rests upon the statistics of fluct...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2009
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3139006