Sun, 27 Jul 2008 09:13:21 BST CiteULike: waitonhill's Abromeit http://www.citeulike.org/user/waitonhill/author/Abromeit CiteULike.org en-gb Copyright © 2004-2008 citeulike.org http://www.citeulike.org/user/waitonhill/article/2743875 <i>Journal of Non-Crystalline Solids, Vol. 353, No. 32-40. (15 October 2007), pp. 3332-3337.</i><br /><br />The viscosity of the model AgCu alloy is simulated by several methods using (i) correlation functions through the Green-Kubo formalism, (ii) a non-equilibrium molecular dynamics approach and (iii) creep tests under constant stress. Temperature dependences of the shear viscosity and the diffusion coefficient show the breakdown of the Stokes-Einstein relation well above the glass-transition temperature Tg. This observation is interpreted as a manifestation of the development of heterogeneities in the supercooled liquid approaching Tg. Based on a generalized Einstein formula for the viscosity of liquid, a temperature dependence of heterogeneity degree of supercooled liquid is estimated. Using the dependence of the deformation rate on external stress, the activation volume is evaluated to be four atomic volumes in liquid state. However, below the mode-coupling temperature Tc the activation volume increases by several times. Molecular dynamics simulation of viscosity in supercooled liquid and glassy AgCu alloy NP Lazarev AS Bakai C Abromeit doi:10.1016/j.jnoncrysol.2007.05.080 Journal of Non-Crystalline Solids, Vol. 353, No. 32-40. (15 October 2007), pp. 3332-3337. 2008-05-02T02:18:04-00:00 2007 Journal of Non-Crystalline Solids 353 32-40 3332 3337 no-tag