Scattering calculations time shifts

The decay of the structural correlations measured by the static structure factor can be studied by dynamic scattering techniques. From the simulations, the decay of structural correlations is determined most directly by calculating the coherent intermediate scattering function, which differs from Eq. [1] by a time shift in one of the particle positions as defined in Eq. [2] ... 

Fig. 22 Steady state incoherent intermediate scattering functions (z) measured in the vorticity direction as functions of accumulated strain jf for various shear rates y data from molecular dynamics simulations of a supercooled binary Lenard-Jones mixture below the glass transition ate taken from [91]. These collapse onto a yield scaling function at long times. The wavevector is q = 3.55/R (at the peak of Sq). The quiescent curve, shifted to agree with that at the highest y, shows ageing dynamics at longer times outside the plotted window. The apparent yielding master function from simulation is compared to those calculated in ISHSM for glassy states at or close to the transition (separation parameters s as labeled) and at nearby wave vectors (as labeled). ISHSM curves were chosen to match the plateau value fq, while strain parameters yc = 0.083 at = 0 solid line) and y, = 0.116 at e = 10 dashed line) were used from [45]...

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