The shoving model for the glass-former LiCl.6H(2)O: A molecular dynamics simulation study

Molecular dynamics (MD) simulations of LiCl.6H(2)O showed that the diffusion coefficient D, and also the structural relaxation time < t > , follow a power law at high temperatures, D(-(1K(T-T(o))(-(k, with the same experimental parameters for viscosity (T(o)=207K, k=2.08). Decoupling between D and < t > occurs at T(x)1.1T(o). High frequency acoustic excitations for the LiCl.6H(2)O model were obtained by the calculation of time correlation functions of mass current fluctuations. The temperature dependence of the instantaneous shear modulus, G(()T), was considered in the shoving model for supercooled liquids [J.C. Dyre, T. Christensen, N.B. Olsen, J. Non-Cryst. Solids 352 (2006) 4635] resulting in a linear relationship log(D(-(1) vs.G(/)T.