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Fixed an issue with the analytical solution for problem val-1d (Refs i…
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…daholab#12).  TMAP8 is now in excellent agreement with the solution.  Also updated the documentation to reflect changes to equation 7 from the original TMAP4 V&V report that were never completely propagated through to values and symbols in the accompanying text.
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humrickhouse committed Aug 15, 2022
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8 changes: 4 additions & 4 deletions doc/content/verification/val-1d.md
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Expand Up @@ -31,7 +31,7 @@ $T$ = temperature

$c$ = dissolved gas atom fraction

The discriminant for which regime is dominant is the ratio of $\zeta$ to c/$\rho$. If $\zeta$ > c/$\rho$ then the effective diffusivity regime applies, and the permeation transient is identical to the standard diffusion transient but with the diffusivity replaced by an effective diffusivity.
The discriminant for which regime is dominant is the ratio of $\zeta$ to c/$\rho$. If $\zeta$ $\gg$ c/$\rho$ then the effective diffusivity regime applies, and the permeation transient is identical to the standard diffusion transient but with the diffusivity replaced by an effective diffusivity.

\begin{equation}
\label{eqn:Deff}
Expand All @@ -56,7 +56,7 @@ where $l$ is the thickness of the slab and D is the diffusivity of the gas throu

[!cite](longhurst2005verification) where $\tau_{b_e}$ is defined in [eqn:tau_be]

In the deep-trapping limit, $\zeta$ < c/$\rho$, and no permeation occurs until essentially all the traps have been filled. Then permeation rapidly turns on to its state value. The breakthrough time is given by
In the deep-trapping limit, $\zeta$ $\approx$ c/$\rho$, and no permeation occurs until essentially all the traps have been filled. Then permeation rapidly turns on to its state value. The breakthrough time is given by

\begin{equation}
\label{eqn:tau_bd}
Expand All @@ -70,7 +70,7 @@ Using TMAP8 we examine these two different regimes, one where diffusion is the r

## Diffusion-limited

For the effective diffusivity limit, we selected $\epsilon/k = 100 K$ to give $\zeta = 90.48 c/\rho$. The comparison results are presented in [val-1d_comparison_diffusion].
For the effective diffusivity limit, we selected $\epsilon/k = 100 K$ to give $\zeta = 91.47 c/\rho$. The comparison results are presented in [val-1d_comparison_diffusion].

!media figures/val-1d_comparison_diffusion.png
style=width:50%;margin-bottom:2%
Expand All @@ -79,7 +79,7 @@ For the effective diffusivity limit, we selected $\epsilon/k = 100 K$ to give $\

## Trapping-limited

For the deep trapping limit we took $\epsilon/k = 10000 K$ to give $\zeta = 0.04533 c/\rho$. The comparison results are presented in [val-1d_comparison_trapping].
For the deep trapping limit we took $\epsilon/k = 10000 K$ to give $\zeta = 1.00454 c/\rho$. The comparison results are presented in [val-1d_comparison_trapping].

!media figures/val-1d_comparison_trapping.png
style=width:50%;margin-bottom:2%
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2 changes: 1 addition & 1 deletion test/tests/val-1d/comparison_val-1d.py
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Expand Up @@ -36,7 +36,7 @@
c = 0.0001 # dissolved gas atom fraction
zeta = ((lambdaa**2) * nu * np.exp((Ed - epsilon) / (k * T)) / (rho * D_o)) + (c / rho)

D = D_o * np.exp((epsilon - Ed) / (k * T)) # diffusivity (m^2/s)
D = 1.0 # diffusivity (m^2/s)
D_eff = D / (1 + (1/zeta)) # Effective diffusivity (m^2/s)

l = 1 # slab thickness (m)
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