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Simple average expression for shear-stress relaxation modulus

Abstract : 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.
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J. P. Wittmer, H. Xu, J. Baschnagel. Simple average expression for shear-stress relaxation modulus. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2016, 93 (1), pp.012103. ⟨10.1103/PhysRevE.93.012103⟩. ⟨hal-01515445⟩



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