diff --git a/doc/content/bib/tmap8.bib b/doc/content/bib/tmap8.bib index 5f4b52e9..ed97d5ce 100644 --- a/doc/content/bib/tmap8.bib +++ b/doc/content/bib/tmap8.bib @@ -187,6 +187,16 @@ @book{Incropera2002 year = {2002}, } +@inproceedings{Holland1986, + author = {D F Holland and R A Jalbert}, + city = {Austin, TX}, + booktitle = {Eleventh Symposium on Fusion Engineering}, + month = {11}, + publisher = {IEEE Cat. No. CH2251-7, Vol 1. pp. 638-643}, + title = {A model for tritium concentration following tritium release into a test cell and subsequent operation of an atmospheric cleanup system}, + year = {1986} +} + @techreport{anderl1985tritium, title={Tritium permeation in stainless-steel structures exposed to plasma ions}, author={Anderl, RA and Holland, DF and Struttmann, DA and Longhurst, GR and Merrill, BJ}, diff --git a/doc/content/verification_and_validation/figures/comparison_val-2c.py b/doc/content/verification_and_validation/figures/comparison_val-2c.py new file mode 120000 index 00000000..e826f41f --- /dev/null +++ b/doc/content/verification_and_validation/figures/comparison_val-2c.py @@ -0,0 +1 @@ +../../../../test/tests/val-2c/comparison_val-2c.py \ No newline at end of file diff --git a/doc/content/verification_and_validation/index.md b/doc/content/verification_and_validation/index.md index d3c0083a..8a58051f 100644 --- a/doc/content/verification_and_validation/index.md +++ b/doc/content/verification_and_validation/index.md @@ -46,3 +46,4 @@ TMAP8 also contains [example cases](examples/tmap_index.md), which showcase how | ------ | ---------------------------------------------- | | val-2a | [Ion Implantation Experiment](val-2a.md) | | val-2b | [Diffusion Experiment in Beryllium](val-2b.md) | +| val-2c | [Test Cell Release Experiment](val-2c.md) | diff --git a/doc/content/verification_and_validation/val-2c.md b/doc/content/verification_and_validation/val-2c.md new file mode 100644 index 00000000..a42ce5be --- /dev/null +++ b/doc/content/verification_and_validation/val-2c.md @@ -0,0 +1,148 @@ +# val-2c + +# Test Cell Release Experiment + +## Case Description + +This validation problem is taken from [!cite](Holland1986) and was part of the validation suite of TMAP4 [!cite](longhurst1992verification) and TMAP7 [!cite](ambrosek2008verification). +Whenever tritium is released into a fusion reactor test cell, it is crucial to clean it up to prevent exposure. +This case models an experiment conducted at Los Alamos National Laboratory at the tritium systems test assembly (TSTA) to study the behavior of tritium once released in a test cell and the efficacy of the emergency tritium cleanup system (ETCS). + +The experimental set up, described in greater detail in [!cite](Holland1986), can be summarized as such: +the inner walls of an enclosure of volume $V$ was covered with an aluminum foil and then covered in paint with an average thickness $l$, which is then in contact with the enclosure air. +A given amount, T$_2^0$, of tritium, T$_2$, is injected in the enclosure, which initially contained ambient air. +This represents the tritium release. +A flow rate $f$ through the enclosure represents the air replacement time expected for large test cells. +The purge gas is ambient air with 20% relative humidity. +A fraction of that amount is diverted through the measurement system to determine the concentrations of chemical species within the enclosure. + +Several phenomena are taking place and need to be captured in the model to determine the concentrations of elemental tritium (i.e., T$_2$ and HT), tritiated water (i.e., HTO), and water (i.e., H$_2$O). +First, The following chemical reactions occur inside the enclosure: +\begin{equation} \label{eq:chemical_reaction_T2} +\text{T}_2 + \text{H}_2\text{O} \longleftrightarrow{} \text{HTO} + \text{HT} +\end{equation} +\begin{equation} \label{eq:chemical_reaction_HT} +\text{HT} + \text{H}_2\text{O} \longleftrightarrow{} \text{HTO} + \text{H}_2 +\end{equation} +mostly as a consequence of the tritium reactivity. The reaction rates of these reactions are $K_1$ and $K_2$, respectively, where +\begin{equation} \label{eq:chemical_reaction_K_1} +K_1 = 2 K^0 c_{\text{T}_2} \left( 2 c_{\text{T}_2} + c_{\text{HT}} + c_{\text{HTO}} \right) +\end{equation} +and +\begin{equation} \label{eq:chemical_reaction_K_2} +K_2 = K^0 c_{\text{HT}} \left( 2 c_{\text{T}_2} + c_{\text{HT}} + c_{\text{HTO}} \right). +\end{equation} +Here, $c_i$ represents the concentration of species $i$, and $K^0$ is a constant. + +Second, the different species will permeate in the paint. +The elemental tritium species, T$_2$ and HT, have a given solubility $K_S^e$ and diffusivity $D^e$, while the tritiated water, HTO, and water, H$_2$O, have a solubility $K_S^w$ and diffusivity $D^w$. +It is expected that species will initially permeate into the paint and later get released as the purge gas cleans up the enclosure air. + +The objectives of this case are to determine the time evolution of T$_2$ and HTO concentrations in the enclosure, match the experimental data published in [!cite](Holland1986), and display this comparison with the appropriate error checking (see [val-2c_comparison_T2] and [val-2c_comparison_HTO]). + +## Model Description + +To model the case described above, TMAP8 simulates a one-dimensional domain with one block to represent the air in the enclosure, and another block to represent the paint. +In each block, the simulation tracks the local concentration of T$_2$, HT, HTO, and H$_2$O. +Note that this case can easily be extended to a two- or three-dimensional case, but, consistent with previous analyses, we will maintain the one-dimensional configuration here. + +In the enclosure, to capture the purge gas and the chemical reactions, the concentrations evolve as +\begin{equation} \label{eq:enclosure:T2} +\frac{d c_{\text{T}_2}}{dt} = - K_1 - \frac{f}{V}c_{\text{T}_2}, +\end{equation} +\begin{equation} \label{eq:enclosure:HT} +\frac{d c_{\text{HT}}}{dt} = K_1 - K_2 - \frac{f}{V}c_{\text{HT}}, +\end{equation} +\begin{equation} \label{eq:enclosure:HTO} +\frac{d c_{\text{HTO}}}{dt} = K_1 + K_2 - \frac{f}{V}c_{\text{HTO}}, +\end{equation} +and +\begin{equation} \label{eq:enclosure:H2O} +\frac{d c_{\text{H}_2\text{O}}}{dt} = - K_1 - K_2 + \frac{f}{V} \left(c_{\text{H}_2\text{O}}^0 - c_{\text{H}_2\text{O}} \right), +\end{equation} +where $c_{\text{H}_2\text{O}}^0$ is the concentration of H$_2$O in the incoming purge gas. + +In the paint, TMAP8 captures species diffusion through +\begin{equation} \label{eq:paint:T2} +\frac{d c_{\text{T}_2}}{dt} = - \nabla D^e \nabla c_{\text{T}_2}, +\end{equation} +\begin{equation} \label{eq:paint:HT} +\frac{d c_{\text{HT}}}{dt} = - \nabla D^e \nabla c_{\text{HT}}, +\end{equation} +\begin{equation} \label{eq:paint:HTO} +\frac{d c_{\text{HTO}}}{dt} = - \nabla D^w \nabla c_{\text{HTO}}, +\end{equation} +and +\begin{equation} \label{eq:paint:H2O} +\frac{d c_{\text{H}_2\text{O}}}{dt} = - \nabla D^w \nabla c_{\text{H}_2\text{O}}. +\end{equation} + +At the interface between the enclosure air and the paint, sorption is captured in TMAP8 with Henry's law thanks to the [InterfaceSorption.md] object: +\begin{equation} \label{eq:sorption} +c_{i,enclosure} = K_S c_{i,paint} R T, +\end{equation} +where $c_{i,enclosure}$ and $c_{i,paint}$ are the concentrations of species $i$ in the enclosure and in the paint, respectively, and $K_S$ is the solubility (either $K_S^e$ or $K_S^w$). +The boundary conditions are set to "no flux" since no permeation happens at the interface between the paint and the aluminum foil and the only flux leaving the enclosure is already captured by the purge gas [!citep](Holland1986). + +One of the assumptions made in the original paper and TMAP4 V&V case is that the tritium is immediately added to the enclosure [!citep](Holland1986,longhurst1992verification). +However, this leads to an early HTO peak concentration, which does not exactly match the experimental data. +In [!cite](ambrosek2008verification), TMAP7 introduces a new enclosure to account for a slower injection of tritium. +Here, we model this case with two different approaches. +The first approach, like [!citep](Holland1986,longhurst1992verification), assumes that the entire tritium inventory is immediately injected in the enclosure at the beginning of the experiment. +The second approach assumes that the tritium inventory is being injected into the enclosure at a linear rate during a period of time $t_injection$ until the entire tritium inventory is injected. +The results of these two approaches are presented and discussed below. + + +## Case and Model Parameters + +The case and model parameters used in both approaches in TMAP8 are listed in [val-2c_parameters]. Some of the parameters are directly leveraged from [!cite](Holland1986,longhurst1992verification,ambrosek2008verification), but others were adapted to better match the experimental data. + + +!table id=val-2c_parameters caption=Case and model parameters values used in both approaches in TMAP8 with $R$, the gas constant, and $N_A$, Avogadro's number, as defined in [PhysicalConstants](source/utils/PhysicalConstants.md). When values are the same for both approaches, they are noted as identical. Model parameters that have been adapted from [!cite](longhurst1992verification) show a corrective factor in bold. Units are converted in the input file. +| Parameter | Immediate injection approach | Delayed injection approach | Unit | Reference | +| -------------------------- | ------------------------------------------------------------ | ------------------------------------------------------------ | ---------- | ----------------------------------------------- | +| $V$ | 0.96 | Identical | m$^3$ | [!cite](Holland1986) | +| $l$ | 0.16 (between 0.1 and 0.2) | Identical | mm | [!cite](Holland1986) | +| T$_2^0$ | 10 | Identical | Ci/m$^{3}$ | [!cite](Holland1986) | +| $c_{\text{H}_2\text{O}}^0$ | 714 | Identical | Pa | [!cite](longhurst1992verification) | +| $f$ | 0.54 | Identical | m$^3$/hr | [!cite](Holland1986) | +| $T$ | 303 | Identical | K | [!cite](Holland1986) | +| Total time | 180000 | Identical | s | [!cite](Holland1986) | +| $K^0$ | $\boldsymbol{1.5} \times 2.0 \times 10^{-10}$ | $\boldsymbol{2.8} \times 2.0 \times 10^{-10}$ | m$^3$/Ci/s | Adapted from [!cite](longhurst1992verification) | +| $D^e$ | 4.0 $\times 10^{-12}$ | Identical | m$^2$/s | [!cite](Holland1986) | +| $D^w$ | 1.0 $\times 10^{-14}$ | Identical | m$^2$/s | [!cite](Holland1986) | +| $K_S^e$ | $\boldsymbol{5.0 \times 10^{-2}} \times 4.0 \times 10^{-19}$ | $\boldsymbol{1.0 \times 10^{-3}} \times 4.0 \times 10^{-19}$ | 1/m$^3$/Pa | Adapted from [!cite](longhurst1992verification) | +| $K_S^w$ | $\boldsymbol{3.5 \times 10^{-4}} \times 6.0 \times 10^{-24}$ | $\boldsymbol{3.0 \times 10^{-4}} \times 6.0 \times 10^{-24}$ | 1/m$^3$/Pa | Adapted from [!cite](longhurst1992verification) | +| $t_{injection}$ | N/A | 3 | hr | | + +## Results and discussion + +[val-2c_comparison_T2] and [val-2c_comparison_HTO] show the comparison of the TMAP8 calculations (both with immediately injected and delayed injected T$_2$) against the experimental data for T$_2$ and HTO concentration in the enclosure over time. +There is reasonable agreement between the TMAP8 predictions and the experimental data. +In the case of immediate T$_2$ injection, the root mean square percentage errors are equal to RMSPE = 58.98 % for T$_2$ and RMSPE = 139.10 % for HTO, respectively. +When accounting for a delay in T$_2$ injection, the TMAP8 predictions best match the experimental data, in particular the position of the peak HTO concentration. The RMSPE values decrease to RMSPE = 58.05 % for T$_2$ and RMSPE = 74.77 % for HTO, respectively. +Note that the model parameters listed in [val-2c_parameters] are somewhat different from [!cite](Holland1986,longhurst1992verification,ambrosek2008verification) to better match the experimental data. +In particular, [!cite](longhurst1992verification,ambrosek2008verification) did not validate the TMAP predictions against T$_2$ concentration, which we do here in [val-2c_comparison_T2]. +This affects some of the model parameters. + +The agreement between modeling predictions and experimental data could be further improved by adjusting the model parameters. +It is also possible to perform this optimization with [MOOSE's stochastic tools module](https://mooseframework.inl.gov/modules/stochastic_tools/index.html). + +!media comparison_val-2c.py + image_name=val-2c_comparison_TMAP8_Exp_T2_Ci.png + style=width:50%;margin-bottom:2%;margin-left:auto;margin-right:auto + id=val-2c_comparison_T2 + caption=Comparison of TMAP8 calculations against the experimental data for T$_2$ concentration in the enclosure over time. TMAP8 matches the experimental data well, with an improvement when T$_2$ is injected over a given period rather than immediately. + +!media comparison_val-2c.py + image_name=val-2c_comparison_TMAP8_Exp_HTO_Ci.png + style=width:50%;margin-bottom:2%;margin-left:auto;margin-right:auto + id=val-2c_comparison_HTO + caption=Comparison of TMAP8 calculations against the experimental data for HTO concentration in the enclosure over time. TMAP8 matches the experimental data well, with an improvement when T$_2$ is injected over a given period rather than immediately. + +## Input files + +!style halign=left +The input files for this case can be found at [/val-2c_immediate_injection.i] and [/val-2c_delay.i]. Note that both input files utilize a common base file [/val-2c_base.i] with the line `!include val-2c_base.i`. The base input file contains all the features and TMAP8 objects common to both cases, reducing duplication, and this allows the immediate injection and delayed injection inputs to focus on what is specific to each case. Note that both input files are also used as TMAP8 tests, outlined at [/val-2c/tests]. + +!bibtex bibliography diff --git a/test/tests/val-2b/comparison_val-2b.py b/test/tests/val-2b/comparison_val-2b.py index 1bd64edb..436e11b1 100644 --- a/test/tests/val-2b/comparison_val-2b.py +++ b/test/tests/val-2b/comparison_val-2b.py @@ -73,5 +73,5 @@ def numerical_solution_on_experiment_input(experiment_input, tmap_input, tmap_ou RMSPE = RMSE*100/np.mean(expt_flux) ax.text(870,3e16, 'RMSPE = %.2f '%RMSPE+'%',fontweight='bold') ax.minorticks_on() -plt.savefig('val-2b_comparison.png', bbox_inches='tight') +plt.savefig('val-2b_comparison.png', bbox_inches='tight', dpi=300) plt.close(fig) diff --git a/test/tests/val-2c/comparison_val-2c.py b/test/tests/val-2c/comparison_val-2c.py new file mode 100644 index 00000000..315a9422 --- /dev/null +++ b/test/tests/val-2c/comparison_val-2c.py @@ -0,0 +1,211 @@ +import matplotlib.pyplot as plt +import numpy as np +from matplotlib import gridspec +import pandas as pd +import os + +# Changes working directory to script directory (for consistent MooseDocs usage) +script_folder = os.path.dirname(__file__) +os.chdir(script_folder) + +#=============================================================================== +# Define methods + +def common_times_generator(time_exp, value_exp, time_solution, value_solution): + """samples the experimental data and the simulation data to generate a common time array to enable RMSE calculations + + Args: + time_exp (np.array): array of times for experimental data (in strictly increasing order) + value_exp (np.array): array of experimental values defined with steps + time_solution (np.array): array of solution time (in strictly increasing order) + value_solution (np.array): array of solution value over time + + Returns: + time_sample (np.array): array of time values (in strictly increasing order) + value_exp_sampled (np.array): array of experimental values corresponding to time_sample values + value_solution_sampled (np.array): array of simulation values corresponding to time_sample values + """ + time_sample = [] + index_exp = 1 + value_exp_sampled = [] + value_solution_sampled = [] + + for i in range(len(time_solution)): + # we determine the smallest index_exp for which time_exp[index_exp] is smaller than time_solution[i+1] + if time_solution[i] < time_exp[len(time_exp)-1]: # there is no experimental data beyond this time value + index_exp = next(k for k, value in enumerate(time_exp) if value > time_solution[i]) + if (index_exp >= 1) and (index_exp % 2): # the current time falls within a range where there is experimental data (index_exp is odd), and it is sampled + time_sample.append(time_solution[i]) + value_exp_sampled.append(value_exp[index_exp]) + value_solution_sampled.append(value_solution[i]) + return np.array(time_sample), np.array(value_exp_sampled), np.array(value_solution_sampled) + +def sample_solution(time_stamps, time_solution, value_solution): + """sample a solution at the desired time stamps + + Args: + time_stamps (np.array): array of time stamps to sample the solution at (in strictly increasing order) + time_solution (np.array): array of solution time (in strictly increasing order) + value_solution (np.array): array of solution value over time + + Returns: + np.array: array of solution data at desired time stamps + """ + value_solution_samples = len(time_stamps)*[0] + for i in range(len(time_stamps)): + # find the index of the first element greater than the current time stamp + if time_stamps[i+1] > time_solution[len(time_solution)-1]: ##### -1 does not work for this + index_1 = len(time_solution)-2 + index_2 = len(time_solution)-1 + else: + index = next(k for k, value in enumerate(time_solution) + if value >= time_stamps[i+1]) + # determine the two times around the current time stamp + if index==0: + index_1 = 0 + index_2 = 1 + else: + index_1 = index-1 + index_2 = index + # interpolate the solution value (linear apprimation) + value_solution_samples[i] = (value_solution[index_2]-value_solution[index_1])/(time_solution[index_2]-time_solution[index_1])* (time_stamps[i+1]-time_solution[index_1]) + value_solution[index_1] + return value_solution_samples + +#=============================================================================== +# Physical constants, conversion, and model constants +Curie = 3.7e10 # desintegrations/s - activity of one Curie +decay_rate_tritium = 1.78199e-9 # desintegrations/s/atoms +conversion_Ci_atom = decay_rate_tritium / Curie # 1 tritium at = ~4.82e-20 Ci +length_scale = 1e6 # m -> microns +time_scale = 60*60 # h -> s + +#=============================================================================== +# Extract TMAP8 predictions +if "/TMAP8/doc/" in script_folder: # if in documentation folder + csv_folder = "../../../../test/tests/val-2c/gold/val-2c_immediate_injection_csv.csv" +else: # if in test folder + csv_folder = "./gold/val-2c_immediate_injection_csv.csv" +tmap8_prediction = pd.read_csv(csv_folder) +tmap8_time = tmap8_prediction['time'] +tmap8_t2_enclosure_concentration = tmap8_prediction['t2_enclosure_edge_concentration'] +tmap8_hto_enclosure_concentration = tmap8_prediction['hto_enclosure_edge_concentration'] + +# Extract TMAP8 predictions - delay +if "/TMAP8/doc/" in script_folder: # if in documentation folder + csv_folder = "../../../../test/tests/val-2c/gold/val-2c_delay_csv.csv" +else: # if in test folder + csv_folder = "./gold/val-2c_delay_csv.csv" +tmap8_prediction_delay = pd.read_csv(csv_folder) +tmap8_time_delay = tmap8_prediction['time'] +tmap8_t2_enclosure_concentration_delay = tmap8_prediction_delay['t2_enclosure_edge_concentration'] +tmap8_hto_enclosure_concentration_delay = tmap8_prediction_delay['hto_enclosure_edge_concentration'] + +#=============================================================================== +# Extract Experimental data +if "/TMAP8/doc/" in script_folder: # if in documentation folder + csv_folder = "../../../../test/tests/val-2c/gold/Experimental_data_HTO_concentration.csv" +else: # if in test folder + csv_folder = "./gold/Experimental_data_HTO_concentration.csv" +experimental_data_hto = pd.read_csv(csv_folder) +experimental_time_hto = experimental_data_hto['time (hr)'] +experimental_hto_enclosure_concentration = experimental_data_hto['Concentration (Ci/m3)'] + +if "/TMAP8/doc/" in script_folder: # if in documentation folder + csv_folder = "../../../../test/tests/val-2c/gold/Experimental_data_T2_concentration.csv" +else: # if in test folder + csv_folder = "./gold/Experimental_data_T2_concentration.csv" +experimental_data_t2 = pd.read_csv(csv_folder) +experimental_time_t2 = experimental_data_t2['time (hr)'] +experimental_t2_enclosure_concentration = experimental_data_t2['Concentration (Ci/m3)'] + +#=============================================================================== +# Unit conversion for consistency + +tmap8_time = tmap8_time / time_scale # s -> h +tmap8_t2_enclosure_concentration_Ci = tmap8_t2_enclosure_concentration * 2 * conversion_Ci_atom * length_scale**3 # molecules/microns^3 -> Ci/m^3 - the factor 2 is because there are 2 T atoms per T2 molecule +tmap8_hto_enclosure_concentration_Ci = tmap8_hto_enclosure_concentration * conversion_Ci_atom * length_scale**3 # molecules/microns^3 -> Ci/m^3 + +tmap8_time_delay = tmap8_time_delay / time_scale # s -> h +tmap8_t2_enclosure_concentration_Ci_delay = tmap8_t2_enclosure_concentration_delay * 2 * conversion_Ci_atom * length_scale**3 # molecules/microns^3 -> Ci/m^3 - the factor 2 is because there are 2 T atoms per T2 molecule +tmap8_hto_enclosure_concentration_Ci_delay = tmap8_hto_enclosure_concentration_delay * conversion_Ci_atom * length_scale**3 # molecules/microns^3 -> Ci/m^3 + +#=============================================================================== +# Plot figure for validation - HTO concentration in enclosure + +fig = plt.figure(figsize=[6.5,5.5]) +gs = gridspec.GridSpec(1,1) +ax = fig.add_subplot(gs[0]) +ax.plot(tmap8_time,tmap8_hto_enclosure_concentration_Ci,label=r"TMAP8 HTO - immediate injection",c='tab:gray', linestyle='--') +ax.plot(tmap8_time_delay,tmap8_hto_enclosure_concentration_Ci_delay,label=r"TMAP8 HTO - delayed injection",c='tab:gray', linestyle=':') +for i in range(int(len(experimental_time_hto)/2)): + if i==0: + ax.plot([experimental_time_hto[2*i], experimental_time_hto[2*i+1]],[experimental_hto_enclosure_concentration[2*i], experimental_hto_enclosure_concentration[2*i+1]],label=r"Experimental data HTO",c='k', linestyle='-') + else: + ax.plot([experimental_time_hto[2*i], experimental_time_hto[2*i+1]],[experimental_hto_enclosure_concentration[2*i], experimental_hto_enclosure_concentration[2*i+1]],c='k', linestyle='-') +ax.set_xlabel(u'Time (hr)') +ax.set_ylabel(r"HTO enclosure concentration (Ci/m$^3$)") +ax.legend(loc="best") +ax.set_xlim(left=0) +ax.set_xlim(right=max(tmap8_time)) +def Ci_m3_to_molecules_microns3(x): + return x / 2 / conversion_Ci_atom / length_scale**3 +def molecules_microns3_to_Ci_m3(x): + return x * 2 * conversion_Ci_atom * length_scale**3 +ax2 = ax.secondary_yaxis( + 'right', functions=(Ci_m3_to_molecules_microns3, molecules_microns3_to_Ci_m3)) +ax2.set_ylabel(r"(molecules/$\mu$m$^3$)") +ax.set_yscale('log') +ax.set_ylim(bottom=1e-8) +ax.set_ylim(top=1e-3) +ax.minorticks_on() + +# calculate RMSPE +time_sample, experimental_hto_enclosure_concentration_sampled, tmap8_hto_enclosure_concentration_Ci_sampled = common_times_generator(experimental_time_hto, experimental_hto_enclosure_concentration, tmap8_time,tmap8_hto_enclosure_concentration_Ci) +RMSE = np.sqrt(np.mean((tmap8_hto_enclosure_concentration_Ci_sampled-experimental_hto_enclosure_concentration_sampled)**2)) +RMSPE = RMSE*100/np.mean(experimental_hto_enclosure_concentration_sampled) +ax.text(0.8,3.9e-5, 'RMSPE = %.2f '%RMSPE+'%',fontweight='bold') +time_sample_delay, experimental_hto_enclosure_concentration_delay_sampled, tmap8_hto_enclosure_concentration_Ci_delay_sampled = common_times_generator(experimental_time_hto, experimental_hto_enclosure_concentration, tmap8_time_delay,tmap8_hto_enclosure_concentration_Ci_delay) +RMSE = np.sqrt(np.mean((tmap8_hto_enclosure_concentration_Ci_delay_sampled-experimental_hto_enclosure_concentration_delay_sampled)**2)) +RMSPE = RMSE*100/np.mean(experimental_hto_enclosure_concentration_delay_sampled) +ax.text(7.5,1.2e-5, 'RMSPE (delay) = %.2f '%RMSPE+'%',fontweight='bold') + +# save figure +plt.savefig('val-2c_comparison_TMAP8_Exp_HTO_Ci.png', bbox_inches='tight', dpi=300); +plt.close(fig) + +fig = plt.figure(figsize=[6.5,5.5]) +gs = gridspec.GridSpec(1,1) +ax = fig.add_subplot(gs[0]) +ax.plot(tmap8_time,tmap8_t2_enclosure_concentration_Ci,label=r"TMAP8 T$_2$ - immediate injection",c='tab:gray', linestyle='--') +ax.plot(tmap8_time_delay,tmap8_t2_enclosure_concentration_Ci_delay,label=r"TMAP8 T$_2$ - delayed injection",c='tab:gray', linestyle=':') +ax.scatter(experimental_time_t2[0], experimental_t2_enclosure_concentration[0], label=r"Experimental data T$_2$ (amount injected)",c='k',alpha = 0.6) +ax.scatter(experimental_time_t2[1:], experimental_t2_enclosure_concentration[1:], label=r"Experimental data T$_2$",c='k') +ax.set_xlabel(u'Time (hr)') +ax.set_ylabel(r"T$_2$ enclosure concentration (Ci/m$^3$)") +ax.legend(loc="best") +ax.set_xlim(left=0) +ax.set_xlim(right=max(tmap8_time)) +def Ci_m3_to_molecules_microns3(x): + return x / 2 / conversion_Ci_atom / length_scale**3 +def molecules_microns3_to_Ci_m3(x): + return x * 2 * conversion_Ci_atom * length_scale**3 +ax2 = ax.secondary_yaxis( + 'right', functions=(Ci_m3_to_molecules_microns3, molecules_microns3_to_Ci_m3)) +ax2.set_ylabel(r"(molecules/$\mu$m$^3$)") +ax.set_yscale('log') +ax.set_ylim(bottom=1e-4) +ax.set_ylim(top=14) + +# calculate RMSPE +tmap8_t2_enclosure_concentration_Ci_sampled = sample_solution(experimental_time_t2[1:], tmap8_time, tmap8_t2_enclosure_concentration_Ci) +RMSE = np.sqrt(np.mean((tmap8_t2_enclosure_concentration_Ci_sampled-experimental_t2_enclosure_concentration[1:])**2)) +RMSPE = RMSE*100/np.mean(experimental_t2_enclosure_concentration[1:]) +ax.text(0.5,1.2e-4, 'RMSPE (delay) = %.2f '%RMSPE+'%',fontweight='bold') +tmap8_t2_enclosure_concentration_Ci_delay_sampled = sample_solution(experimental_time_t2[1:], tmap8_time_delay, tmap8_t2_enclosure_concentration_Ci_delay) +RMSE = np.sqrt(np.mean((tmap8_t2_enclosure_concentration_Ci_delay_sampled-experimental_t2_enclosure_concentration[1:])**2)) +RMSPE = RMSE*100/np.mean(experimental_t2_enclosure_concentration[1:]) +ax.text(19,8e-4, 'RMSPE (delay) = %.2f '%RMSPE+'%',fontweight='bold') + +# save figure +plt.savefig('val-2c_comparison_TMAP8_Exp_T2_Ci.png', bbox_inches='tight', dpi=300); +plt.close(fig) diff --git a/test/tests/val-2c/gold/Experimental_data_HTO_concentration.csv b/test/tests/val-2c/gold/Experimental_data_HTO_concentration.csv new file mode 100644 index 00000000..15a2d260 --- /dev/null +++ b/test/tests/val-2c/gold/Experimental_data_HTO_concentration.csv @@ -0,0 +1,17 @@ +time (hr),Concentration (Ci/m3) +0.677893256,1.20E-05 +1.176589684,1.20E-05 +1.224008468,1.81E-05 +1.785041949,1.81E-05 +3.271896112,2.36E-05 +4.705648341,2.36E-05 +4.964231674,1.83E-05 +6.397983902,1.83E-05 +6.488026313,8.55E-06 +11.47499059,8.55E-06 +12.2146881,1.95E-06 +20.00681978,1.95E-06 +20.65789567,9.30E-07 +29.76052626,9.30E-07 +29.9036706,5.52E-07 +48.54600155,5.52E-07 \ No newline at end of file diff --git a/test/tests/val-2c/gold/Experimental_data_T2_concentration.csv b/test/tests/val-2c/gold/Experimental_data_T2_concentration.csv new file mode 100644 index 00000000..a63d0571 --- /dev/null +++ b/test/tests/val-2c/gold/Experimental_data_T2_concentration.csv @@ -0,0 +1,6 @@ +time (hr),Concentration (Ci/m3) +0,10.41666667 +8.889873605,0.127684534 +13.6893081,0.011659484 +16.05684624,0.001135921 +19.87824692,0.000234153 diff --git a/test/tests/val-2c/gold/val-2c_delay_csv.csv b/test/tests/val-2c/gold/val-2c_delay_csv.csv new file mode 100644 index 00000000..f2b30bf6 --- /dev/null +++ b/test/tests/val-2c/gold/val-2c_delay_csv.csv @@ -0,0 +1,203 @@ +time,h2o_enclosure_edge_concentration,h2o_enclosure_inventory,h2o_paint_inventory,ht_enclosure_edge_concentration,ht_enclosure_inventory,ht_paint_inventory,hto_enclosure_edge_concentration,hto_enclosure_inventory,hto_paint_inventory,t2_enclosure_edge_concentration,t2_enclosure_inventory,t2_paint_inventory,tritium_total_inventory +0,170675.93889282,4551358.3704753,0,0,0,0,0,0,0,0,0,0,0 +60,168701.1567321,4498667.9751875,7879165.5865298,4.3162540896718e-10,1.1510010905615e-08,1.2705704230108e-17,4.3162529365319e-10,1.1510007828848e-08,5.2827839109169e-13,0.59516150945421,15.870972860884,0.0004831914953704,31.742912127779 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b/test/tests/val-2c/gold/val-2c_immediate_injection_out.e differ diff --git a/test/tests/val-2c/tests b/test/tests/val-2c/tests new file mode 100644 index 00000000..7066d6f7 --- /dev/null +++ b/test/tests/val-2c/tests @@ -0,0 +1,50 @@ +[Tests] + design = 'val-2c.md' + validation = 'val-2c.md' + issues = '#12 #98' + [val-2c_immediate_injection_csv] + type = CSVDiff + input = val-2c_immediate_injection.i + csvdiff = val-2c_immediate_injection_csv.csv + requirement = 'The system shall be able to model the Test Cell Release Experiment (val-2c) with immediate T2 injection.' + max_parallel = 1 # see #200 + recover = false # see #196 + [] + [val-2c_immediate_injection_exodus] + type = Exodiff + input = val-2c_immediate_injection.i + prereq = val-2c_immediate_injection_csv + should_execute = false # this test relies on the output files from val-2c_immediate_injection_csv, so it shouldn't be run twice + exodiff = val-2c_immediate_injection_out.e + custom_cmp = 'val-2c_exodus.exodiff' + requirement = 'The system shall be able to model the Test Cell Release Experiment (val-2c) with immediate T2 injection and properly compute the exodus file.' + max_parallel = 1 # see #200 + recover = false # see #196 + [] + [val-2c_delay_csv] + type = CSVDiff + input = val-2c_delay.i + csvdiff = val-2c_delay_csv.csv + requirement = 'The system shall be able to model the Test Cell Release Experiment (val-2c) with delayed T2 injection.' + abs_zero = 1e-8 + max_parallel = 1 # see #200 + recover = false # see #196 + [] + [val-2c_delay_exodus] + type = Exodiff + input = val-2c_delay.i + prereq = val-2c_delay_csv + should_execute = false # this test relies on the output files from val-2c_delay_csv, so it shouldn't be run twice + exodiff = val-2c_delay_out.e + custom_cmp = 'val-2c_exodus.exodiff' + requirement = 'The system shall be able to model the Test Cell Release Experiment (val-2c) with delayed T2 injection and properly compute the exodus file.' + max_parallel = 1 # see #200 + recover = false # see #196 + [] + [val-2c_delay_comparison] + type = RunCommand + command = 'python3 comparison_val-2c.py' + requirement = 'The system shall be able to generate comparison plots between simulated solutions and experimental data of validation cases val-2c, modeling a Test Cell Release Experiment.' + required_python_packages = 'matplotlib numpy pandas scipy os' + [] +[] diff --git a/test/tests/val-2c/val-2c_base.i b/test/tests/val-2c/val-2c_base.i new file mode 100644 index 00000000..210efcc1 --- /dev/null +++ b/test/tests/val-2c/val-2c_base.i @@ -0,0 +1,580 @@ +# Validation problem #2c from TMAP4/TMAP7 V&V document +# Test Cell Release Experiment based on +# D. F. Holland and R. A. Jalbert, "A Model for Tritium Concentration Following Tritium +# Release into a Test Cell and Subsequent Operation of an Atmospheric Cleanup Systen," +# Proceedings, Eleventh Symposium of Fusion Engineering, November 18-22, 1985,. Austin, +# TX, Vol I, pp. 638-43, IEEE Cat. No. CH2251-7. + +# Note that the approach to model this validation case is different in TMAP4 and TMAP7. + +[Mesh] + [base_mesh] + type = GeneratedMeshGenerator + dim = 1 + nx = ${fparse mesh_num_nodes_paint + 2} + xmax = ${length_domain} + [] + [subdomain_id] + input = base_mesh + type = SubdomainPerElementGenerator + subdomain_ids = '0 0 0 0 0 0 0 0 0 0 0 0 1 1' + [] + [interface] + type = SideSetsBetweenSubdomainsGenerator + input = subdomain_id + primary_block = '0' # paint + paired_block = '1' # enclosure + new_boundary = 'interface' + [] + [interface_other_side] + type = SideSetsBetweenSubdomainsGenerator + input = interface + primary_block = '1' # enclosure + paired_block = '0' # paint + new_boundary = 'interface_other' + [] +[] + +[Variables] + # T2 concentration in the enclosure in molecules/microns^3 + [t2_enclosure_concentration] + block = 1 + [] + # HT concentration in the enclosure in molecules/microns^3 + [ht_enclosure_concentration] + block = 1 + [] + # HTO concentration in the enclosure in molecules/microns^3 + [hto_enclosure_concentration] + block = 1 + [] + # H2O concentration in the enclosure in molecules/microns^3 + [h2o_enclosure_concentration] + block = 1 + initial_condition = ${initial_H2O_concentration} + [] + # concentration of T2 in the paint in molecules/microns^3 + [t2_paint_concentration] + block = 0 + [] + # concentration of HT in the paint in molecules/microns^3 + [ht_paint_concentration] + block = 0 + [] + # concentration of HTO in the paint in molecules/microns^3 + [hto_paint_concentration] + block = 0 + [] + # concentration of H2O in the paint in molecules/microns^3 + [h2o_paint_concentration] + block = 0 + [] +[] + +[AuxVariables] + # Used to prevent negative concentrations + [bounds_dummy_t2_paint_concentration] + order = FIRST + family = LAGRANGE + [] + [bounds_dummy_t2_enclosure_concentration] + order = FIRST + family = LAGRANGE + [] + [bounds_dummy_hto_paint_concentration] + order = FIRST + family = LAGRANGE + [] + [bounds_dummy_hto_enclosure_concentration] + order = FIRST + family = LAGRANGE + [] + [bounds_dummy_h2o_paint_concentration] + order = FIRST + family = LAGRANGE + [] + [bounds_dummy_h2o_enclosure_concentration] + order = FIRST + family = LAGRANGE + [] +[] + +[Bounds] + # To prevent negative concentrations + [t2_paint_concentration_lower_bound] + type = ConstantBounds + variable = bounds_dummy_t2_paint_concentration + bounded_variable = t2_paint_concentration + bound_type = lower + bound_value = ${lower_value_threshold} + [] + [t2_enclosure_concentration_lower_bound] + type = ConstantBounds + variable = bounds_dummy_t2_enclosure_concentration + bounded_variable = t2_enclosure_concentration + bound_type = lower + bound_value = ${lower_value_threshold} + [] + [hto_paint_concentration_lower_bound] + type = ConstantBounds + variable = bounds_dummy_hto_paint_concentration + bounded_variable = hto_paint_concentration + bound_type = lower + bound_value = ${lower_value_threshold} + [] + [hto_enclosure_concentration_lower_bound] + type = ConstantBounds + variable = bounds_dummy_hto_enclosure_concentration + bounded_variable = hto_enclosure_concentration + bound_type = lower + bound_value = ${lower_value_threshold} + [] + [h2o_paint_concentration_lower_bound] + type = ConstantBounds + variable = bounds_dummy_h2o_paint_concentration + bounded_variable = h2o_paint_concentration + bound_type = lower + bound_value = -1e-4 + [] + [h2o_enclosure_concentration_lower_bound] + type = ConstantBounds + variable = bounds_dummy_h2o_enclosure_concentration + bounded_variable = h2o_enclosure_concentration + bound_type = lower + bound_value = -1e-4 + [] +[] + +[Kernels] + # In the enclosure + [t2_time_derivative] + type = TimeDerivative + variable = t2_enclosure_concentration + block = 1 + [] + [t2_outflow] + type = MaskedBodyForce + variable = t2_enclosure_concentration + value = '-1' + mask = t2_enclosure_concentration_outflow + block = 1 + [] + [t2_diffusion] + type = MatDiffusion + variable = t2_enclosure_concentration + block = 1 + diffusivity = ${diffusivity_artificial_enclosure} + [] + [ht_time_derivative] + type = TimeDerivative + variable = ht_enclosure_concentration + block = 1 + [] + [ht_outflow] + type = MaskedBodyForce + variable = ht_enclosure_concentration + value = '-1' + mask = ht_enclosure_concentration_outflow + block = 1 + [] + [ht_diffusion] + type = MatDiffusion + variable = ht_enclosure_concentration + block = 1 + diffusivity = ${diffusivity_artificial_enclosure} + [] + [hto_time_derivative] + type = TimeDerivative + variable = hto_enclosure_concentration + block = 1 + [] + [hto_outflow] + type = MaskedBodyForce + variable = hto_enclosure_concentration + value = '-1' + mask = hto_enclosure_concentration_outflow + block = 1 + [] + [hto_diffusion] + type = MatDiffusion + variable = hto_enclosure_concentration + block = 1 + diffusivity = ${diffusivity_artificial_enclosure} + [] + [h2o_time_derivative] + type = TimeDerivative + variable = h2o_enclosure_concentration + block = 1 + [] + [h2o_inflow] + type = MaskedBodyForce + variable = h2o_enclosure_concentration + mask = ${inflow_concentration} + block = 1 + [] + [h2o_outflow] + type = MaskedBodyForce + variable = h2o_enclosure_concentration + value = '-1' + mask = h2o_enclosure_concentration_outflow + block = 1 + [] + [h2o_diffusion] + type = MatDiffusion + variable = h2o_enclosure_concentration + block = 1 + diffusivity = ${diffusivity_artificial_enclosure} + [] + + # reaction T2+H2O->HTO+HT + [reaction_1_t2] + type = ADMatReactionFlexible + variable = t2_enclosure_concentration + block = 1 + coeff = -1 + reaction_rate_name = reaction_rate_t2 + [] + [reaction_1_h2o] + type = ADMatReactionFlexible + variable = h2o_enclosure_concentration + block = 1 + coeff = -1 + reaction_rate_name = reaction_rate_t2 + [] + [reaction_1_hto] + type = ADMatReactionFlexible + variable = hto_enclosure_concentration + block = 1 + coeff = 1 + reaction_rate_name = reaction_rate_t2 + [] + [reaction_1_ht] + type = ADMatReactionFlexible + variable = ht_enclosure_concentration + block = 1 + coeff = 1 + reaction_rate_name = reaction_rate_t2 + [] + # reaction HT+H2O->HTO+H2 + [reaction_2_HT] + type = ADMatReactionFlexible + variable = ht_enclosure_concentration + block = 1 + coeff = -1 + reaction_rate_name = reaction_rate_ht + [] + [reaction_2_h2o] + type = ADMatReactionFlexible + variable = h2o_enclosure_concentration + block = 1 + coeff = -1 + reaction_rate_name = reaction_rate_ht + [] + [reaction_2_hto] + type = ADMatReactionFlexible + variable = hto_enclosure_concentration + block = 1 + coeff = 1 + reaction_rate_name = reaction_rate_ht + [] + + # In the paint + [t2_paint_time] + type = TimeDerivative + variable = t2_paint_concentration + block = 0 + [] + [t2_paint_diffusion] + type = MatDiffusion + variable = t2_paint_concentration + block = 0 + diffusivity = '${diffusivity_elemental_tritium}' + [] + [ht_paint_time] + type = TimeDerivative + variable = ht_paint_concentration + block = 0 + [] + [ht_paint_diffusion] + type = MatDiffusion + variable = ht_paint_concentration + block = 0 + diffusivity = '${diffusivity_elemental_tritium}' + [] + [hto_paint_time] + type = TimeDerivative + variable = hto_paint_concentration + block = 0 + [] + [hto_paint_diffusion] + type = MatDiffusion + variable = hto_paint_concentration + block = 0 + diffusivity = '${diffusivity_tritiated_water}' + [] + [h2o_paint_time] + type = TimeDerivative + variable = h2o_paint_concentration + block = 0 + [] + [h2o_paint_diffusion] + type = MatDiffusion + variable = h2o_paint_concentration + block = 0 + diffusivity = '${diffusivity_tritiated_water}' + [] +[] + +[InterfaceKernels] + # solubility at the surface of the paint + [t2_solubility] + type = ADInterfaceSorption + variable = t2_paint_concentration + neighbor_var = t2_enclosure_concentration # molecules/microns^3 + unit_scale_neighbor = ${fparse 1e18/NA} # to convert neighbor concentration to mol/m^3 + K0 = ${solubility_elemental_tritium} + Ea = 0 + n_sorption = 1 # Henry's law + temperature = ${temperature} + diffusivity = diffusivity_elemental_tritium + boundary = 'interface' + [] + [ht_solubility] + type = ADInterfaceSorption + variable = ht_paint_concentration + neighbor_var = ht_enclosure_concentration # molecules/microns^3 + unit_scale_neighbor = ${fparse 1e18/NA} # to convert neighbor concentration to mol/m^3 + K0 = ${solubility_elemental_tritium} + Ea = 0 + n_sorption = 1 # Henry's law + temperature = ${temperature} + diffusivity = diffusivity_elemental_tritium + boundary = 'interface' + [] + [hto_solubility] + type = ADInterfaceSorption + variable = hto_paint_concentration + neighbor_var = hto_enclosure_concentration # molecules/microns^3 + unit_scale_neighbor = ${fparse 1e18/NA} # to convert neighbor concentration to mol/m^3 + K0 = ${solubility_tritiated_water} + Ea = 0 + n_sorption = 1 # Henry's law + temperature = ${temperature} + diffusivity = diffusivity_tritiated_water + boundary = 'interface' + [] + [h2o_solubility] + type = ADInterfaceSorption + variable = h2o_paint_concentration + neighbor_var = h2o_enclosure_concentration # molecules/microns^3 + unit_scale_neighbor = ${fparse 1e18/NA} # to convert neighbor concentration to mol/m^3 + K0 = ${solubility_tritiated_water} + Ea = 0 + n_sorption = 1 # Henry's law + temperature = ${temperature} + diffusivity = diffusivity_tritiated_water + boundary = 'interface' + [] +[] + +[Materials] + [reaction_rate_t2] + type = ADDerivativeParsedMaterial + coupled_variables = 't2_enclosure_concentration ht_enclosure_concentration hto_enclosure_concentration' + expression = '${reaction_rate} * 2 * t2_enclosure_concentration * (2*t2_enclosure_concentration + ht_enclosure_concentration + hto_enclosure_concentration)' + property_name = reaction_rate_t2 + block = 1 + [] + [reaction_rate_ht] + type = ADDerivativeParsedMaterial + coupled_variables = 't2_enclosure_concentration ht_enclosure_concentration hto_enclosure_concentration' + expression = '${reaction_rate} * ht_enclosure_concentration * (2*t2_enclosure_concentration + ht_enclosure_concentration + hto_enclosure_concentration)' + property_name = reaction_rate_ht + block = 1 + [] + [diffusivity_elemental_tritium_paint] + type = ADConstantMaterial + value = ${diffusivity_elemental_tritium} + property_name = 'diffusivity_elemental_tritium' + block = 0 + [] + [diffusivity_elemental_tritium_enclosure] + type = ADConstantMaterial + value = ${diffusivity_artificial_enclosure} + property_name = 'diffusivity_elemental_tritium' + block = 1 + [] + [diffusivity_tritiated_water_paint] + type = ADConstantMaterial + value = ${diffusivity_tritiated_water} + property_name = 'diffusivity_tritiated_water' + block = 0 + [] + [diffusivity_tritiated_water_enclosure] + type = ADConstantMaterial + value = ${diffusivity_artificial_enclosure} + property_name = 'diffusivity_tritiated_water' + block = 1 + [] + + [t2_enclosure_concentration_outflow] + type = DerivativeParsedMaterial + coupled_variables = 't2_enclosure_concentration' + expression = 't2_enclosure_concentration * ${outflow} / ${volume_enclosure}' + property_name = 't2_enclosure_concentration_outflow' + block = 1 + [] + [ht_enclosure_concentration_outflow] + type = DerivativeParsedMaterial + coupled_variables = 'ht_enclosure_concentration' + expression = 'ht_enclosure_concentration * ${outflow} / ${volume_enclosure}' + property_name = 'ht_enclosure_concentration_outflow' + block = 1 + [] + [hto_enclosure_concentration_outflow] + type = DerivativeParsedMaterial + coupled_variables = 'hto_enclosure_concentration' + expression = 'hto_enclosure_concentration * ${outflow} / ${volume_enclosure}' + property_name = 'hto_enclosure_concentration_outflow' + block = 1 + [] + [h2o_enclosure_concentration_outflow] + type = DerivativeParsedMaterial + coupled_variables = 'h2o_enclosure_concentration' + expression = 'h2o_enclosure_concentration * ${outflow} / ${volume_enclosure}' + property_name = 'h2o_enclosure_concentration_outflow' + block = 1 + [] +[] + +[Postprocessors] + # Pressures in enclosure + [t2_enclosure_edge_concentration] # (molecules/microns^3) + type = PointValue + point = '${length_domain} 0 0' # on the far side of the enclosure + variable = t2_enclosure_concentration + execute_on = 'initial timestep_end' + [] + [ht_enclosure_edge_concentration] # (molecules/microns^3) + type = PointValue + point = '${length_domain} 0 0' # on the far side of the enclosure + variable = ht_enclosure_concentration + execute_on = 'initial timestep_end' + [] + [hto_enclosure_edge_concentration] # (molecules/microns^3) + type = PointValue + point = '${length_domain} 0 0' # on the far side of the enclosure + variable = hto_enclosure_concentration + execute_on = 'initial timestep_end' + [] + [h2o_enclosure_edge_concentration] # (molecules/microns^3) + type = PointValue + point = '${length_domain} 0 0' # on the far side of the enclosure + variable = h2o_enclosure_concentration + execute_on = 'initial timestep_end' + [] + + # Inventory in enclosure + [t2_enclosure_inventory] # (molecules/microns^2) + type = ElementIntegralVariablePostprocessor + variable = t2_enclosure_concentration + execute_on = 'initial timestep_end' + block = 1 + [] + [ht_enclosure_inventory] # (molecules/microns^2) + type = ElementIntegralVariablePostprocessor + variable = ht_enclosure_concentration + execute_on = 'initial timestep_end' + block = 1 + [] + [hto_enclosure_inventory] # (molecules/microns^2) + type = ElementIntegralVariablePostprocessor + variable = hto_enclosure_concentration + execute_on = 'initial timestep_end' + block = 1 + [] + [h2o_enclosure_inventory] # (molecules/microns^2) + type = ElementIntegralVariablePostprocessor + variable = h2o_enclosure_concentration + execute_on = 'initial timestep_end' + block = 1 + [] + + # Inventory in paint + [t2_paint_inventory] # (molecules/microns^2) + type = ElementIntegralVariablePostprocessor + variable = t2_paint_concentration + execute_on = 'initial timestep_end' + block = 0 + [] + [ht_paint_inventory] # (molecules/microns^2) + type = ElementIntegralVariablePostprocessor + variable = ht_paint_concentration + execute_on = 'initial timestep_end' + block = 0 + [] + [hto_paint_inventory] # (molecules/microns^2) + type = ElementIntegralVariablePostprocessor + variable = hto_paint_concentration + execute_on = 'initial timestep_end' + block = 0 + [] + [h2o_paint_inventory] # (molecules/microns^2) + type = ElementIntegralVariablePostprocessor + variable = h2o_paint_concentration + execute_on = 'initial timestep_end' + block = 0 + [] + + [tritium_total_inventory] + type = LinearCombinationPostprocessor + pp_names = 't2_enclosure_inventory ht_enclosure_inventory hto_enclosure_inventory t2_paint_inventory ht_paint_inventory hto_paint_inventory' + pp_coefs = '2 1 1 2 1 1' + execute_on = 'initial timestep_end' + [] +[] + +[Debug] + show_var_residual_norms = true +[] + +[Preconditioning] + [smp] + type = SMP + full = true + [] +[] + +[Executioner] + type = Transient + solve_type = NEWTON + scheme = 'bdf2' + + petsc_options_iname = '-pc_type -sub_pc_type -snes_type' + petsc_options_value = 'asm lu vinewtonrsls' # This petsc option helps prevent negative concentrations with bounds' + + nl_rel_tol = 1.e-10 + automatic_scaling = true + compute_scaling_once = false + + end_time = ${time_end} + dtmax = ${dtmax} + nl_max_its = 16 + [TimeStepper] + type = IterationAdaptiveDT + dt = ${time_step} + optimal_iterations = 12 + iteration_window = 1 + growth_factor = 1.1 + cutback_factor = 0.9 + [] +[] + +[Outputs] + exodus = true + perf_graph = true + [csv] + type = CSV + execute_on = 'initial timestep_end' + [] +[] diff --git a/test/tests/val-2c/val-2c_delay.i b/test/tests/val-2c/val-2c_delay.i new file mode 100644 index 00000000..eb414154 --- /dev/null +++ b/test/tests/val-2c/val-2c_delay.i @@ -0,0 +1,70 @@ +# This input file utilizes val_2c_base and adds specific parameter values and capabilities to inject T2 with a delay + +# Physical Constants (from PhysicalConstant.h) +kb = ${units 1.380649e-23 J/K} # Boltzmann constant based on number used in include/utils/PhysicalConstants.h +NA = ${units 6.02214076e23 at/mol} # Avogadro's number based on number used in include/utils/PhysicalConstants.h + +## Geometry +paint_thickness = ${units 0.16 mm -> mum} +mesh_num_nodes_paint = 12 # impose by manual mesh +mesh_node_size_paint = ${fparse paint_thickness/mesh_num_nodes_paint} +length_domain = ${fparse paint_thickness + 2*mesh_node_size_paint} +volume_enclosure = ${units 0.96 m^3 -> mum^3} + +## Conditions +temperature = ${units 303 K} + +## Conversion +Curie = ${units 3.7e10 1/s} # desintegrations/s - activity of one Curie +decay_rate_tritium = ${units 1.78199e-9 1/s/at} # desintegrations/s/atoms +conversion_Ci_atom = ${units ${fparse decay_rate_tritium / Curie} 1/at} # 1 tritium at = ~4.82e-20 Ci +concentration_to_pressure_conversion_factor = '${units ${fparse kb * temperature} Pa*m^3 -> Pa*mum^3}' # J = Pa*m^3 + +## Material properties +diffusivity_elemental_tritium = ${units ${fparse 1 * 4.0e-12} m^2/s -> mum^2/s} +diffusivity_tritiated_water = ${units 1.0e-14 m^2/s -> mum^2/s} +diffusivity_artificial_enclosure = ${fparse diffusivity_elemental_tritium*1e3} +reaction_rate = '${units ${fparse 2.8 * 2.0e-10*conversion_Ci_atom} m^3/at/s -> mum^3/at/s}' # ~ 1.5* 9.62e-30 m^3/at/s, close to the 1.0e-29 m3/atoms/s in TMAP4 +solubility_elemental_tritium = '${units ${fparse 1e-3 * 4.0e19} 1/m^3/Pa -> 1/mum^3/Pa}' # molecules/microns^3/Pa = molecules*s^2/m^2/kg +solubility_tritiated_water = '${units ${fparse 3e-4 * 6.0e24} 1/m^3/Pa -> 1/mum^3/Pa}' # molecules/microns^3/Pa = molecules*s^2/m^2/kg + +## Initial conditions +# The units below are actually in molecules, not atoms +initial_T2_inventory = ${units ${fparse 10 / 2 / conversion_Ci_atom} at} # (equivalent to 10 Ci) - the 1/2 is to account for 2 tritium atoms per molecules, both contributing to activity +initial_T2_concentration = ${units ${fparse initial_T2_inventory / volume_enclosure} at/mum^3} +initial_H2O_pressure = ${units 714 Pa} # Found in TMAP4 input file, which corresponds to ambient air with 20% relative humidity. +initial_H2O_concentration = ${units ${fparse initial_H2O_pressure / concentration_to_pressure_conversion_factor} at/mum^3} + +## Numerical parameters +time_step = ${units 60 s} +time_end = ${units 180000 s} +time_injection_T2_start = ${units 0 h -> s} +time_injection_T2_end = ${units 3 h -> s} +dtmax = ${units 1e3 s} +lower_value_threshold = ${units -1e-20 at/mum^3} # lower limit for concentration +injection_rate_T2 = ${units ${fparse initial_T2_concentration / (time_injection_T2_end-time_injection_T2_start)} at/mum^3/s} + +## Inflow and outflow +inflow = ${units 0.54 m^3/h -> mum^3/s} # inflow of normally moist (20% relative humidity) air at the same temperature as the enclosure +inflow_concentration = ${fparse initial_H2O_concentration * inflow / volume_enclosure} +outflow = ${units 0.54 m^3/h -> mum^3/s} # outflow of enclosure air # even if only 0.06 m^3/h is used to do measurements, all that air is purged out. + +!include val-2c_base.i + +[Functions] + [injection_window] + type = ParsedFunction + expression = 'if(t<${time_injection_T2_start}, 0., if(t<${time_injection_T2_end}, ${injection_rate_T2}, 0.))' + [] +[] + +[Kernels] + [t2_inflow] + type = MaskedBodyForce + variable = t2_enclosure_concentration + value = '1' + function = 'injection_window' + mask = '1' + block = 1 + [] +[] diff --git a/test/tests/val-2c/val-2c_exodus.exodiff b/test/tests/val-2c/val-2c_exodus.exodiff new file mode 100644 index 00000000..8ad896f1 --- /dev/null +++ b/test/tests/val-2c/val-2c_exodus.exodiff @@ -0,0 +1,62 @@ +# ***************************************************************** +# EXODIFF EXODIFF EXODIFF EXODIFF EXODIFF EXODIFF EXODIFF +# +# Version 2.46 (2011-07-11) +# Authors: Richard Drake, rrdrake@sandia.gov +# Greg Sjaardema, gdsjaar@sandia.gov +# 2012/02/21 12:01:29 MST +# +# EXODIFF EXODIFF EXODIFF EXODIFF EXODIFF EXODIFF EXODIFF +# ***************************************************************** + +# This is use in two different tests: +# FILE 1: ~/projects/TMAP8/test/tests/val-2c/gold/val-2c_immediate_injection_out.e +# FILE 2: ~/projects/TMAP8/test/tests/val-2c/gold/val-2c_delay_out.e +# Title: val-2c +# Dim = 1, Blocks = 2, Nodes = 15, Elements = 14, Nodesets = 2, Sidesets = 2 +# Vars: Global = 13, Nodal = 8, Element = 0, Nodeset = 0, Sideset = 0, Times = 201 + + +# ============================================================== +# NOTE: All node and element ids are reported as global ids. + +# NOTES: - The min/max values are reporting the min/max in absolute value. +# - Time values (t) are 1-offset time step numbers. +# - Element block numbers are the block ids. +# - Node(n) and element(e) numbers are 1-offset. + +# COORDINATES absolute 1.e-6 + +# TIME STEPS relative 1.e-6 floor 0.0 + +GLOBAL VARIABLES relative 5.5.e-6 floor 1e-10 + h2o_enclosure_edge_concentration + h2o_enclosure_inventory + h2o_paint_inventory + ht_enclosure_edge_concentration + ht_enclosure_inventory + ht_paint_inventory + hto_enclosure_edge_concentration + hto_enclosure_inventory + hto_paint_inventory + t2_enclosure_edge_concentration + t2_enclosure_inventory + t2_paint_inventory + tritium_total_inventory + +NODAL VARIABLES relative 5.5.e-6 floor 1e-10 + h2o_enclosure_concentration + h2o_paint_concentration + ht_enclosure_concentration + ht_paint_concentration + hto_enclosure_concentration + hto_paint_concentration relative 1.0e-04 floor 7.e-6 + t2_enclosure_concentration + t2_paint_concentration + +# No ELEMENT VARIABLES + +# No NODESET VARIABLES + +# No SIDESET VARIABLES + diff --git a/test/tests/val-2c/val-2c_immediate_injection.i b/test/tests/val-2c/val-2c_immediate_injection.i new file mode 100644 index 00000000..6f2b2681 --- /dev/null +++ b/test/tests/val-2c/val-2c_immediate_injection.i @@ -0,0 +1,56 @@ +# This input file utilizes val_2c_base and adds specific parameter values and capabilities to inject T2 immediately + +# Physical Constants (from PhysicalConstant.h) +kb = ${units 1.380649e-23 J/K} # Boltzmann constant based on number used in include/utils/PhysicalConstants.h +NA = ${units 6.02214076e23 at/mol} # Avogadro's number based on number used in include/utils/PhysicalConstants.h + +## Geometry +paint_thickness = ${units 0.16 mm -> mum} +mesh_num_nodes_paint = 12 # impose by manual mesh +mesh_node_size_paint = ${fparse paint_thickness/mesh_num_nodes_paint} +length_domain = ${fparse paint_thickness + 2*mesh_node_size_paint} +volume_enclosure = ${units 0.96 m^3 -> mum^3} + +## Conditions +temperature = ${units 303 K} + +## Conversion +Curie = ${units 3.7e10 1/s} # desintegrations/s - activity of one Curie +decay_rate_tritium = ${units 1.78199e-9 1/s/at} # desintegrations/s/atoms +conversion_Ci_atom = ${units ${fparse decay_rate_tritium / Curie} 1/at} # 1 tritium at = ~4.82e-20 Ci +concentration_to_pressure_conversion_factor = '${units ${fparse kb * temperature} Pa*m^3 -> Pa*mum^3}' # J = Pa*m^3 + +## Material properties +diffusivity_elemental_tritium = ${units 4.0e-12 m^2/s -> mum^2/s} +diffusivity_tritiated_water = ${units 1.0e-14 m^2/s -> mum^2/s} +diffusivity_artificial_enclosure = ${fparse diffusivity_elemental_tritium*1e3} +reaction_rate = '${units ${fparse 1.5 * 2.0e-10*conversion_Ci_atom} m^3/at/s -> mum^3/at/s}' # ~ 1.5* 9.62e-30 m^3/at/s, close to the 1.0e-29 m3/atoms/s in TMAP4 +solubility_elemental_tritium = '${units ${fparse 5e-2 * 4.0e19} 1/m^3/Pa -> 1/mum^3/Pa}' # molecules/microns^3/Pa = molecules*s^2/m^2/kg +solubility_tritiated_water = '${units ${fparse 3.5e-4 * 6.0e24} 1/m^3/Pa -> 1/mum^3/Pa}' # molecules/microns^3/Pa = molecules*s^2/m^2/kg + +## Initial conditions +# The units below are actually in molecules, not atoms +initial_T2_inventory = ${units ${fparse 10 / 2 / conversion_Ci_atom} at} # (equivalent to 10 Ci) - the 1/2 is to account for 2 tritium atoms per molecules, both contributing to activity +initial_T2_concentration = ${units ${fparse initial_T2_inventory / volume_enclosure} at/mum^3} +initial_H2O_pressure = ${units 714 Pa} # Found in TMAP4 input file, which corresponds to ambient air with 20% relative humidity. +initial_H2O_concentration = ${units ${fparse initial_H2O_pressure / concentration_to_pressure_conversion_factor} at/mum^3} + +## Numerical parameters +time_step = ${units 60 s} +time_end = ${units 180000 s} +dtmax = ${units 1e3 s} +lower_value_threshold = ${units -1e-20 at/mum^3} # lower limit for concentration + +## Inflow and outflow +inflow = ${units 0.54 m^3/h -> mum^3/s} # inflow of normally moist (20% relative humidity) air at the same temperature as the enclosure +inflow_concentration = ${fparse initial_H2O_concentration * inflow / volume_enclosure} +outflow = ${units 0.54 m^3/h -> mum^3/s} # outflow of enclosure air # even if only 0.06 m^3/h is used to do measurements, all that air is purged out. + +!include val-2c_base.i + +[Variables] + # T2 concentration in the enclosure in molecules/microns^3 + [t2_enclosure_concentration] + initial_condition = ${initial_T2_concentration} + [] +[] diff --git a/test/tests/ver-1a/comparison_ver-1a.py b/test/tests/ver-1a/comparison_ver-1a.py index a6b296d1..8100bc39 100644 --- a/test/tests/ver-1a/comparison_ver-1a.py +++ b/test/tests/ver-1a/comparison_ver-1a.py @@ -221,7 +221,7 @@ def analytical_expression_flux(t, P_0, D, S, V, T, A, l): RMSPE = RMSE*100/np.mean(analytical_release_fraction_TMAP4[idx:]) ax.text(60,0.6, 'RMSPE = %.2f '%RMSPE+'%',fontweight='bold') ax.minorticks_on() -plt.savefig('ver-1a_comparison_analytical_TMAP4_release_fraction.png', bbox_inches='tight'); +plt.savefig('ver-1a_comparison_analytical_TMAP4_release_fraction.png', bbox_inches='tight', dpi=300); plt.close(fig) # Plot figure for verification of release fraction as determined in TMAP7 (SiC inner layer) @@ -241,7 +241,7 @@ def analytical_expression_flux(t, P_0, D, S, V, T, A, l): RMSPE = RMSE*100/np.mean(analytical_release_fraction_TMAP7[idx:]) ax.text(40,0.6, 'RMSPE = %.2f '%RMSPE+'%',fontweight='bold') ax.minorticks_on() -plt.savefig('ver-1a_comparison_analytical_TMAP7_release_fraction.png', bbox_inches='tight'); +plt.savefig('ver-1a_comparison_analytical_TMAP7_release_fraction.png', bbox_inches='tight', dpi=300); plt.close(fig) # Plot figure for verification of flux as determined in TMAP7 (SiC outer layer) @@ -261,5 +261,5 @@ def analytical_expression_flux(t, P_0, D, S, V, T, A, l): RMSPE = RMSE*100/np.mean(analytical_flux_TMAP7 [idx:]) ax.text(60,0.6e19, 'RMSPE = %.2f '%RMSPE+'%',fontweight='bold') ax.minorticks_on() -plt.savefig('ver-1a_comparison_analytical_TMAP7_flux.png', bbox_inches='tight'); +plt.savefig('ver-1a_comparison_analytical_TMAP7_flux.png', bbox_inches='tight', dpi=300); plt.close(fig) diff --git a/test/tests/ver-1b/comparison_ver-1b.py b/test/tests/ver-1b/comparison_ver-1b.py index 224b870b..0a297460 100644 --- a/test/tests/ver-1b/comparison_ver-1b.py +++ b/test/tests/ver-1b/comparison_ver-1b.py @@ -44,7 +44,7 @@ RMSPE = RMSE*100/np.mean(analytical_conc[idx:]) ax.text(5,0.9, 'RMSPE = %.2f '%RMSPE+'%',fontweight='bold') ax.minorticks_on() -plt.savefig('ver-1b_comparison_time.png', bbox_inches='tight') +plt.savefig('ver-1b_comparison_time.png', bbox_inches='tight', dpi=300) plt.close(fig) @@ -82,7 +82,7 @@ RMSPE = RMSE*100/np.mean(analytical_conc[idx:]) ax.text(10,0.4, 'RMSPE = %.2f '%RMSPE+'%',fontweight='bold') ax.minorticks_on() -plt.savefig('ver-1b_comparison_dist.png', bbox_inches='tight') +plt.savefig('ver-1b_comparison_dist.png', bbox_inches='tight', dpi=300) plt.close(fig) #================== Comparison of flux as a function of time =================== @@ -119,5 +119,5 @@ RMSPE = RMSE*100/np.mean(analytical_flux[idx:]) ax.text(10,0.25, 'RMSPE = %.2f '%RMSPE+'%',fontweight='bold') ax.minorticks_on() -plt.savefig('ver-1b_comparison_flux.png', bbox_inches='tight') +plt.savefig('ver-1b_comparison_flux.png', bbox_inches='tight', dpi=300) plt.close(fig) diff --git a/test/tests/ver-1c/comparison_ver-1c.py b/test/tests/ver-1c/comparison_ver-1c.py index 78ad33ff..f11f557a 100644 --- a/test/tests/ver-1c/comparison_ver-1c.py +++ b/test/tests/ver-1c/comparison_ver-1c.py @@ -71,7 +71,7 @@ def get_c_analytical(x,t): plt.grid(visible=True, which='major', color='0.65', linestyle='--', alpha=0.3) ax.minorticks_on() -plt.savefig('ver-1c_comparison_time_TMAP4.png', bbox_inches='tight') +plt.savefig('ver-1c_comparison_time_TMAP4.png', bbox_inches='tight', dpi=300) plt.close(fig) #========= Comparison of concentration as a function of time (TMAP7 case) =================== @@ -106,4 +106,4 @@ def get_c_analytical(x,t): plt.grid(visible=True, which='major', color='0.65', linestyle='--', alpha=0.3) ax.minorticks_on() -plt.savefig('ver-1c_comparison_time_TMAP7.png', bbox_inches='tight') +plt.savefig('ver-1c_comparison_time_TMAP7.png', bbox_inches='tight', dpi=300) diff --git a/test/tests/ver-1d/comparison_ver-1d.py b/test/tests/ver-1d/comparison_ver-1d.py index 7b89c86a..337496b2 100644 --- a/test/tests/ver-1d/comparison_ver-1d.py +++ b/test/tests/ver-1d/comparison_ver-1d.py @@ -89,7 +89,7 @@ def summation_term(num_terms, time): RMSPE = RMSE*100/np.mean(analytical_permeation[idx:]) ax.text(1.0,0.5e18, 'RMSPE = %.2f '%RMSPE+'%',fontweight='bold') ax.minorticks_on() -plt.savefig('ver-1d_comparison_diffusion.png', bbox_inches='tight') +plt.savefig('ver-1d_comparison_diffusion.png', bbox_inches='tight', dpi=300) plt.close(fig) # ========================= Trapping limited ==================================== @@ -127,5 +127,5 @@ def summation_term(num_terms, time): plt.grid(visible=True, which='major', color='0.65', linestyle='--', alpha=0.3) ax.minorticks_on() -plt.savefig('ver-1d_comparison_trapping.png', bbox_inches='tight') +plt.savefig('ver-1d_comparison_trapping.png', bbox_inches='tight', dpi=300) plt.close(fig) diff --git a/test/tests/ver-1dc/comparison_ver-1dc.py b/test/tests/ver-1dc/comparison_ver-1dc.py index 7d853bd7..43ba956b 100644 --- a/test/tests/ver-1dc/comparison_ver-1dc.py +++ b/test/tests/ver-1dc/comparison_ver-1dc.py @@ -105,5 +105,5 @@ def summation_term(num_terms, time): ax.text(6.0,0.05e18, 'Numerical breakthrough time = %.2f '%tmap_intercept + 's',fontweight='bold') ax.text(6.1,0.18e18, 'Analytical breakthrough time = %.2f '%tau_be + 's',fontweight='bold') ax.minorticks_on() -plt.savefig('ver-1dc_comparison_diffusion.png', bbox_inches='tight') +plt.savefig('ver-1dc_comparison_diffusion.png', bbox_inches='tight', dpi=300) plt.close(fig) diff --git a/test/tests/ver-1dd/comparison_ver-1dd.py b/test/tests/ver-1dd/comparison_ver-1dd.py index c7689e54..d79534eb 100644 --- a/test/tests/ver-1dd/comparison_ver-1dd.py +++ b/test/tests/ver-1dd/comparison_ver-1dd.py @@ -67,5 +67,5 @@ def summation_term(num_terms, time): ax.text(0.15,0.05e18, 'Numerical breakthrough time = %.2f '%tmap_intercept + 's',fontweight='bold') ax.text(0.153,0.18e18, 'Analytical breakthrough time = %.2f '%tau_be + 's',fontweight='bold') ax.minorticks_on() -plt.savefig('ver-1dd_comparison_diffusion.png', bbox_inches='tight') +plt.savefig('ver-1dd_comparison_diffusion.png', bbox_inches='tight', dpi=300) plt.close(fig) diff --git a/test/tests/ver-1e/comparison_ver-1e.py b/test/tests/ver-1e/comparison_ver-1e.py index 903f24b8..a98abae2 100644 --- a/test/tests/ver-1e/comparison_ver-1e.py +++ b/test/tests/ver-1e/comparison_ver-1e.py @@ -104,7 +104,7 @@ def get_lambdas(k,l,a): plt.grid(visible=True, which='major', color='0.65', linestyle='--', alpha=0.3) ax.minorticks_on() -plt.savefig('ver-1e_comparison_time.png', bbox_inches='tight') +plt.savefig('ver-1e_comparison_time.png', bbox_inches='tight', dpi=300) plt.close(fig) # ============ Closeup of analytical solution ============ @@ -130,7 +130,7 @@ def get_lambdas(k,l,a): plt.grid(visible=True, which='major', color='0.65', linestyle='--', alpha=0.3) ax.minorticks_on() -plt.savefig('ver-1e_comparison_time_closeup.png', bbox_inches='tight') +plt.savefig('ver-1e_comparison_time_closeup.png', bbox_inches='tight', dpi=300) plt.close(fig) # ============ Comparison of concentration as a function of distance ============ @@ -201,5 +201,5 @@ def get_lambdas(k,l,a): plt.grid(visible=True, which='major', color='0.65', linestyle='--', alpha=0.3) ax.minorticks_on() -plt.savefig('ver-1e_comparison_dist.png', bbox_inches='tight') +plt.savefig('ver-1e_comparison_dist.png', bbox_inches='tight', dpi=300) plt.close(fig) diff --git a/test/tests/ver-1fa/comparison_ver-1fa.py b/test/tests/ver-1fa/comparison_ver-1fa.py index 7e1880eb..0efd2740 100644 --- a/test/tests/ver-1fa/comparison_ver-1fa.py +++ b/test/tests/ver-1fa/comparison_ver-1fa.py @@ -40,5 +40,5 @@ RMSPE = RMSE*100/np.mean(analytical_temp) ax.text(0.5,1000, 'RMSPE = %.2f '%RMSPE+'%',fontweight='bold') ax.minorticks_on() -plt.savefig('ver-1fa_comparison_temperature.png', bbox_inches='tight'); +plt.savefig('ver-1fa_comparison_temperature.png', bbox_inches='tight', dpi=300); plt.close(fig) diff --git a/test/tests/ver-1fb/comparison_ver-1fb.py b/test/tests/ver-1fb/comparison_ver-1fb.py index ea543e4b..1c2f46bc 100644 --- a/test/tests/ver-1fb/comparison_ver-1fb.py +++ b/test/tests/ver-1fb/comparison_ver-1fb.py @@ -97,5 +97,5 @@ def summation_terms(n, x, t, alph): RMSPE = RMSE*100/np.mean(analytical_temp[3]) ax.text(2.75,340, 'RMSPE = %.2f '%RMSPE+'%',fontweight='bold',c='c') ax.minorticks_on() -plt.savefig('ver-1fb_comparison_temperature.png', bbox_inches='tight') +plt.savefig('ver-1fb_comparison_temperature.png', bbox_inches='tight', dpi=300) plt.close(fig) diff --git a/test/tests/ver-1fc/comparison_ver-1fc.py b/test/tests/ver-1fc/comparison_ver-1fc.py index 5fe8cb92..373ae31e 100644 --- a/test/tests/ver-1fc/comparison_ver-1fc.py +++ b/test/tests/ver-1fc/comparison_ver-1fc.py @@ -110,7 +110,7 @@ def get_analytical_solution_steady_state(x): RMSE = np.linalg.norm(tmap8_sol_steady_state_temperature-analytical_sol_steady_state_x) err_percent = RMSE*100/np.mean(analytical_sol_steady_state_x) ax.text(0.55, 400, 'RMSPE = %.2f '%err_percent+'% \n',fontweight='bold') -plt.savefig('ver-1fc_comparison_temperature_steady_state.png', bbox_inches='tight'); +plt.savefig('ver-1fc_comparison_temperature_steady_state.png', bbox_inches='tight', dpi=300); plt.close(fig) #=============================================================================== @@ -130,7 +130,7 @@ def get_analytical_solution_steady_state(x): ax.set_ylim(bottom=0) plt.grid(which='major', color='0.65', linestyle='--', alpha=0.3) ax.minorticks_on() -plt.savefig('ver-1fc_comparison_temperature_transient_t150.png', bbox_inches='tight'); +plt.savefig('ver-1fc_comparison_temperature_transient_t150.png', bbox_inches='tight', dpi=300); plt.close(fig) #=============================================================================== @@ -150,6 +150,6 @@ def get_analytical_solution_steady_state(x): ax.set_ylim(bottom=0) plt.grid(which='major', color='0.65', linestyle='--', alpha=0.3) ax.minorticks_on() -plt.savefig('ver-1fc_comparison_temperature_transient_x0.09.png', bbox_inches='tight'); +plt.savefig('ver-1fc_comparison_temperature_transient_x0.09.png', bbox_inches='tight', dpi=300); plt.close(fig) diff --git a/test/tests/ver-1fd/comparison_ver-1fd.py b/test/tests/ver-1fd/comparison_ver-1fd.py index 024bfccb..f098af5e 100644 --- a/test/tests/ver-1fd/comparison_ver-1fd.py +++ b/test/tests/ver-1fd/comparison_ver-1fd.py @@ -65,5 +65,5 @@ def get_analytical_solution(x,t_vect): RMSE = np.linalg.norm(tmap8_sol_temperature-analytical_sol_temperature) err_percent = RMSE*100/np.mean(analytical_sol_temperature) ax.text(900, 151, 'RMSPE = %.2f '%err_percent+'%',fontweight='bold') -plt.savefig('ver-1fd_comparison_convective_heating.png', bbox_inches='tight'); +plt.savefig('ver-1fd_comparison_convective_heating.png', bbox_inches='tight', dpi=300); plt.close(fig) diff --git a/test/tests/ver-1g/comparison_ver-1g.py b/test/tests/ver-1g/comparison_ver-1g.py index 68e27bd8..cd5bf4af 100644 --- a/test/tests/ver-1g/comparison_ver-1g.py +++ b/test/tests/ver-1g/comparison_ver-1g.py @@ -85,7 +85,7 @@ def get_concAB_diff(analytical_time,P_A0,P_B0): RMSPE = RMSE*100/np.mean(analytical_concAB_diff_TMAP7) ax.text(10,11.5e-5, 'RMSPE = %.2f '%RMSPE+'%',fontweight='bold',c='k') ax.minorticks_on() -plt.savefig('ver-1g_comparison_diff_conc.png', bbox_inches='tight') +plt.savefig('ver-1g_comparison_diff_conc.png', bbox_inches='tight', dpi=300) plt.close(fig) @@ -127,6 +127,6 @@ def get_concAB_equal(analytical_time,P_A0): RMSPE = RMSE*100/np.mean(analytical_concAB_diff) ax.text(10,21e-5, 'RMSPE = %.2f '%RMSPE+'%',fontweight='bold',c='k') ax.minorticks_on() -plt.savefig('ver-1g_comparison_equal_conc.png', bbox_inches='tight') +plt.savefig('ver-1g_comparison_equal_conc.png', bbox_inches='tight', dpi=300) plt.close(fig) diff --git a/test/tests/ver-1gc/comparison_ver-1gc.py b/test/tests/ver-1gc/comparison_ver-1gc.py index db83ee88..37056536 100644 --- a/test/tests/ver-1gc/comparison_ver-1gc.py +++ b/test/tests/ver-1gc/comparison_ver-1gc.py @@ -79,6 +79,6 @@ def get_analytical_solution(t_vect): RMSE_C = np.linalg.norm(tmap8_sol_concentration_C-concentration_C) err_percent_C = RMSE_C*100/np.mean(concentration_C) ax.text(1010, 2.05e14, '(C) RMSPE = %.2f '%err_percent_C+'%',fontweight='bold',color = 'tab:green') -plt.savefig('ver-1gc_comparison_diff_conc.png', bbox_inches='tight'); +plt.savefig('ver-1gc_comparison_diff_conc.png', bbox_inches='tight', dpi=300); plt.close(fig) diff --git a/test/tests/ver-1ka/comparison_ver-1ka.py b/test/tests/ver-1ka/comparison_ver-1ka.py index 0e8b1123..2fed7852 100644 --- a/test/tests/ver-1ka/comparison_ver-1ka.py +++ b/test/tests/ver-1ka/comparison_ver-1ka.py @@ -61,4 +61,4 @@ plt.grid(which='major', color='0.65', linestyle='--', alpha=0.3) # Save the plot as a PNG file -plt.savefig('ver-1ka_comparison_time.png', bbox_inches='tight') +plt.savefig('ver-1ka_comparison_time.png', bbox_inches='tight', dpi=300)