Molecular dynamics simulation of viscosity in supercooled liquid and glassy AgCu alloy

@article{citeulike:2743875, abstract = {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.}, author = {Lazarev, N. P. and Bakai, A. S. and Abromeit, C. }, booktitle = {Liquid and Amorphous Metals XII - Proceedings of the 12th International Conference on Liquid and Amorphous Metals, 12th International Conference on Liquid and Amorphous Metals}, citeulike-article-id = {2743875}, doi = {10.1016/j.jnoncrysol.2007.05.080}, journal = {Journal of Non-Crystalline Solids}, month = {October}, number = {32-40}, pages = {3332--3337}, posted-at = {2008-05-02 03:18:08}, priority = {2}, title = {Molecular dynamics simulation of viscosity in supercooled liquid and glassy AgCu alloy}, url = {http://dx.doi.org/10.1016/j.jnoncrysol.2007.05.080}, volume = {353}, year = {2007} }

TY - JOUR ID - citeulike:2743875 L3 - citeulike-article-id:2743875 TI - Molecular dynamics simulation of viscosity in supercooled liquid and glassy AgCu alloy T2 - Liquid and Amorphous Metals XII - Proceedings of the 12th International Conference on Liquid and Amorphous Metals, 12th International Conference on Liquid and Amorphous Metals JF - Journal of Non-Crystalline Solids VL - 353 IS - 32-40 SP - 3332 EP - 3337 N2 - 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. AU - Lazarev, NP AU - Bakai, AS AU - Abromeit, C PY - 2007/10/15/ UR - http://dx.doi.org/10.1016/j.jnoncrysol.2007.05.080 ER -