Ver 1ka

doc/content/verification_and_validation/figures/comparison_ver-1ka.py

@@ -1 +1 @@
-../../../../test/tests/ver-1ka/comparison_ver-1ka.py
+/Users/lee/projects/TMAP8/test/tests/ver-1ka/comparison_ver-1ka.py

doc/content/verification_and_validation/index.md

@@ -24,7 +24,8 @@ TMAP8 also contains [example cases](examples/tmap_index.md), which showcase how
 | ver-1ha | [Convective Gas Outflow Problem](ver-1ha.md)                                                      |
 | ver-1ja | [Radioactive Decay of Mobile Tritium in a Slab](ver-1ja.md)                                       |
 | ver-1jb | [Radioactive Decay of Mobile Tritium in a Slab with a Distributed Trap Concentration](ver-1jb.md) |
-| ver-1ka | [Simple Volumetric Source](ver-1ka.md)
+| ver-1jb | [Radioactive Decay of Mobile Tritium in a Slab with a Distributed Trap Concentration](ver-1jb.md) |
+| ver-1ka | [Simple Volumetric Source](ver-1ka.md)                                                                                                  |
 
 # List of benchmarking cases
 

doc/content/verification_and_validation/ver-1ka.md

@@ -4,21 +4,25 @@
 
 ## General Case Description
 
-This problem involves two enclosures connected by a diffusive membrane that follows Sieverts law for diffusion. Both enclosures contain hydrogen (H$_2$), deuterium (T$_2$), and hydrogen deuteride (HT). In the first enclosure, there is an initial inventory of only hydrogen (H$_2$) along with a constant volumetric source rate of deuterium (T$_2$). The second enclosure starts out empty.
+This problem involves two enclosures connected by a diffusive membrane that follows Sieverts law for diffusion. Both enclosures contain hydrogen (H$_2$), tritium (T$_2$), and tritium gas (HT). In the first enclosure, there is an initial inventory of only hydrogen (H$_2$) along with a constant volumetric source rate of tritium (T$_2$). The second enclosure starts out empty.
 
 ## Case Set up
 
 This verification problem is taken from [!cite](longhurst1992verification). 
-The rise in pressure of T$_2$ molecules in the first enclosure can be monitored by using a non-flow type membrane between the two enclosures. Consequently, the rate of pressure increase can be expressed as:
+The rise in pressure of T$_2$ molecules in the first enclosure can be monitored by not enabling T$_2$ molecules to traverse the membrane between the two enclosures (no tritium flux). Consequently, the rate of pressure increase in the first enclosure can be expressed as:
 
 \begin{equation}
-\frac{dP_{T_2}}{dt} = \frac{S}{V} kT
+\frac{dP_{T_2}}{dt} = \frac{S}{V} kT,
 \end{equation}
 
-where $S$ represents the volumetric source rate, $V$ is the volume of the enclosure, $k$ is the Boltzmann constant, and $T$ is the temperature of the enclosure.
+where $S$ represents the volumetric T$_2$ source rate, $V$ is the volume of the enclosure, $k$ is the Boltzmann constant, and $T$ is the temperature of the enclosure.
+
+In this case, $S$ is set to 10$^{20}$ molecules/m$^{-3}$/s, $V = 1$ m$^3$, and the temperature of the enclosure is constant at $T = 500$ K. 
+
+## Results
 
 Comparison of the TMAP8 results and the analytical solution is shown in
-[ver-1ka_comparison_time] as a function of time. The TMAP8 code predictions match very well with the analytical solution.
+[ver-1ka_comparison_time] as a function of time. The TMAP8 code predictions match very well with the analytical solution with a root mean squared percentage error of RMSPE $= xxxxx$ %.
 
 !media comparison_ver-1ka.py 
        image_name=ver-1ka_comparison_time.png

test/tests/ver-1ka/comparison_ver-1ka.py

@@ -21,7 +21,7 @@
     csv_folder = "./gold/ver-1ka_out.csv"
 expt_data = pd.read_csv(csv_folder)
 TMAP8_time = expt_data['time']
-TMAP8_pres = expt_data['v']
+TMAP8_pressure = expt_data['v']
 
 # Calculate the theoretical expression for pressure
 analytical_pressure = (S / V) * kb * T * TMAP8_time
@@ -31,12 +31,12 @@
 ax = fig.add_subplot(gs[0])
 
 # Plot the experimental data
-ax.plot(TMAP8_time/3600, TMAP8_pres, linestyle='-', color='magenta', label='TMAP8', linewidth=3)
+ax.plot(TMAP8_time/3600, TMAP8_pressure, linestyle='-', color='magenta', label='TMAP8', linewidth=3)
 
 # Plot the selected theoretical data
 ax.plot(TMAP8_time/3600, analytical_pressure, marker='+', linestyle='', color='black', label=r"theory", markersize=10)
 
-RMSE_pressure = np.linalg.norm(TMAP8_pres-analytical_pressure)
+RMSE_pressure = np.linalg.norm(TMAP8_pressure-analytical_pressure)
 err_percent_pressure = RMSE_pressure*100/np.mean(analytical_pressure)
 
 # Add text annotation for RMSPE on the plot

test/tests/ver-1ka/tests

@@ -2,10 +2,17 @@
   design = 'ODETimeDerivative.md ParsedODEKernel.md'
   issues = '#12'
   verification = 'ver-1ka.md'
-  [csv]
+  [ver-1ka_csv]
     type = CSVDiff
     input = ver-1ka.i
     csvdiff = ver-1ka_out.csv
-    requirement = 'The system shall be able to model the tritium volumetric source in one enclosure'
+    requirement = 'The system shall be able to model a tritium volumetric source in one enclosure'
+  []
+  [ver-1ka_comparison]
+    type = RunCommand
+    command = 'python3 comparison_ver-1ka.py'
+    requirement = 'The system shall be able to generate comparison plots between the analytical solution and simulated solution of verification case 1ka, modeling a tritium volumetric source in one enclosure.'
+    prereq = ver-1ka_csv
+    required_python_packages = 'matplotlib numpy pandas os git'
   []
 []