Simple average expression for shear-stress relaxation modulus

Focusing on isotropic elastic networks we propose a simple-average expression G(t) = mu(A) - h(t) for the computational determination of the shear-stress relaxation modulus G(t) of a classical elastic solid or fluid. Here, mu(A) = G(0) characterizes the shear transformation of the system at t = 0 and h(t) the (rescaled) mean-square displacement of the instantaneous shear stress (tau) over cap (t) as a function of time t. We discuss sampling time and ensemble effects and emphasize possible pitfalls of alternative expressions using the shear-stress autocorrelation function. We argue finally that our key relation may be readily adapted for more general linear response functions.