Hall-Ross¶

Description¶

Models the Q dependence of the QENS line width (Gamma (hwhm)), diffusion coefficients (D), residence times (tau) and jump lengths (l) to extract the associated long range diffusive motions of molecules.

The Hall-Ross Jump diffusion model [1] has the form:

Units of $l$ are inverse units of $Q$.

Units of $Gamma$ are meV if units of $\tau$ are ps. Alternatively, units of $Gamma$ are $\mu`eV if units of :math:$tau` are ns.

Mean square diffusion jump length $= 3 l^2 \ \AA^2$.

Diffusion coefficient $D = \frac{l^2}{2 \tau} \ \AA^2 ps^{-1}$.

Properties (fitting parameters)¶

References¶

Categories: FitFunctions | QuasiElastic

Source¶

Python: HallRoss.py