These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


PUBMED FOR HANDHELDS

Search MEDLINE/PubMed


  • Title: Spurious violation of the Stokes-Einstein-Debye relation in supercooled water.
    Author: Kawasaki T, Kim K.
    Journal: Sci Rep; 2019 May 31; 9(1):8118. PubMed ID: 31148561.
    Abstract:
    The theories of Brownian motion, the Debye rotational diffusion model, and hydrodynamics together provide us with the Stokes-Einstein-Debye (SED) relation between the rotational relaxation time of the [Formula: see text]-th degree Legendre polynomials [Formula: see text], and viscosity divided by temperature, η/T. Experiments on supercooled liquids are frequently performed to measure the SED relations, [Formula: see text]kBT/η and Dt[Formula: see text], where Dt is the translational diffusion constant. However, the SED relations break down, and its molecular origin remains elusive. Here, we assess the validity of the SED relations in TIP4P/2005 supercooled water using molecular dynamics simulations. Specifically, we demonstrate that the higher-order [Formula: see text] values exhibit a temperature dependence similar to that of η/T, whereas the lowest-order [Formula: see text] values are decoupled with η/T, but are coupled with the translational diffusion constant Dt. We reveal that the SED relations are so spurious that they significantly depend on the degree of Legendre polynomials.
    [Abstract] [Full Text] [Related] [New Search]