92 erik paper branch (#197)

* split macros and bib file for paper to reduce conflicts * fix py_macros files * add resulting py macros to git ignore * small changes * fix some warnings * working on homogenization plots * homogenization figure in doit * more changes to homogenization appendix * working on beam model * changing beam design output WIP * working on beam design * new beam design working in snakemake * add GWP of steel * add beam figure to dodo file * update workflow graph * more changes for beam in paper * beam design is working in doit * changes to input values * adding conversion of steel gwp input * added computation paste specific heat capacity * improved sc input to mass fraction * fix sc value * fixed test files * fixed name of bending beam * delete test temp files * remove some temp files with gitignore * update parameters * working on function for calibraton of material model * add json package * e and fc over time is working * add test for E and fc over time * adding alpha_t28d to workflow * added macros for optimization input * add inits to include untested files in coverage * simplifed computation sc volume fraction and added test * fixed computation specific heat paste * small fixes mainly comments * imporve coverage * improve coverage * fixed tests * renaming volume content to mass per cubic meter concrete * add dummy test for dummy script * add safety factors * add loads to workflow * write test to check output keys of workflow * fix link to files * fix link to files * improve temp constraint * continue to write paper section on beam and fem * fix tests * improve beam design mixed constraint * improve beam appendix * working on paper * continue FEM * working on heat of hydration figure * working on introduction * working on introduction * working on introduction * build script for design approach graph * wip * workign on paper * include design approach in doit * improving doit workflow * improve doit output * imporving doit paths * improving dodo * working on introduction * update for analyze kpi * update for analyze kpi * fixed beam plot * working on introduction * improve introduction * create heat release figure * working on FEM section * create evolution figure * write evolution plot script * add evolution to tex * modify dummy script * fix dummy script units and test * integrate computation alpha 28 days to snakemake * Update usecases/optimization_paper/tex/tex_sections/appendix_fem_model.tex Co-authored-by: Sjard Mathis Rosenbusch <[email protected]> * Update usecases/optimization_paper/tex/tex_sections/appendix_fem_model.tex Co-authored-by: Sjard Mathis Rosenbusch <[email protected]> * Update usecases/optimization_paper/tex/tex_sections/concrete_model.tex Co-authored-by: Sjard Mathis Rosenbusch <[email protected]> * Update usecases/optimization_paper/tex/tex_sections/introduction.tex Co-authored-by: Sjard Mathis Rosenbusch <[email protected]> --------- Co-authored-by: Sjard Mathis Rosenbusch <[email protected]>
BAMresearch · Aug 29, 2023 · 9094ce3 · 9094ce3
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diff --git a/lebedigital/demonstrator_scripts/dummy_hydration_parameters.py b/lebedigital/demonstrator_scripts/dummy_hydration_parameters.py
@@ -32,7 +32,9 @@ def dummy_hydration_parameters(slag_ratio, phi_hydration):
         maximum potential hydration parameter
     """
 
-    B1 = 2.916e-4 * ureg("1/s")  # in 1/s
+    B1_min = 1.5e-4
+    B1_max = 2.916e-4
+    B1 = (B1_max - (B1_max - B1_min) * slag_ratio) * ureg("1/s")
     B2 = 0.0024229 * ureg("")  # -
     eta = 5.554 * ureg("")  # something about diffusion
     E_act = 5653 * 8.3145 * ureg("J/mol")  # activation energy in Jmol^-1

diff --git a/tests/demonstrator_scripts/test_dummy_scripts.py b/tests/demonstrator_scripts/test_dummy_scripts.py
@@ -1,17 +1,19 @@
 import pytest
 
-from lebedigital.demonstrator_scripts.dummy_hydration_parameters import dummy_hydration_parameters
-from lebedigital.demonstrator_scripts.dummy_paste_strength_stiffness import dummy_paste_strength_stiffness
+from lebedigital.demonstrator_scripts.dummy_hydration_parameters import \
+    dummy_hydration_parameters
+from lebedigital.demonstrator_scripts.dummy_paste_strength_stiffness import \
+    dummy_paste_strength_stiffness
 
 
 def test_dummy_scripts():
     # just to fix the coverage
-    B1, B2, eta, E_act, Q_pot, T_ref = dummy_hydration_parameters(1, 10)
-    assert B1.magnitude == pytest.approx(2.916e-4)
+    B1, B2, eta, E_act, Q_pot, T_ref = dummy_hydration_parameters(0.5, 10)
+    assert B1.magnitude == pytest.approx(0.0002208)
     assert B2.magnitude == pytest.approx(0.0024229)
     assert eta.magnitude == pytest.approx(5.554)
     assert E_act.magnitude == pytest.approx(5653 * 8.3145)
-    assert Q_pot.magnitude == pytest.approx(100000)
+    assert Q_pot.magnitude == pytest.approx(200000)
     assert T_ref.magnitude == pytest.approx(25)
 
     E, fc = dummy_paste_strength_stiffness(0, 10)

diff --git a/tests/demonstrator_scripts/test_kpi_from_fem.py b/tests/demonstrator_scripts/test_kpi_from_fem.py
@@ -2,7 +2,8 @@
 import pint
 import pint_pandas
 import pytest
-from pint.testsuite.helpers import assert_quantity_almost_equal as assert_approx
+from pint.testsuite.helpers import \
+    assert_quantity_almost_equal as assert_approx
 
 from lebedigital.demonstrator_scripts.kpi_from_fem import kpi_from_fem
 from lebedigital.unit_registry import ureg

diff --git a/usecases/optimization_paper/bam_figures/beam_design_plot.py b/usecases/optimization_paper/bam_figures/beam_design_plot.py
@@ -92,7 +92,7 @@ def get_plot_lists(order_list, values_dict, input_parameter):
                 A_errors[i][j] = out["constraint_max_steel_area"]
                 constraint[i][j] = out["constraint_beam_design"]
 
-                if constraint[i][j] >= 0:
+                if constraint[i][j] <= 0:
                     if max_admissable_area < crosssections[i][j]:
                         max_admissable_area = crosssections[i][j]
 
@@ -118,7 +118,7 @@ def plot_contour(ax, x, y, Z, color, linewidth, linestyle="solid"):
     def plot_contour_filled_white(ax, x, y, Z):
         max = np.nanmax(Z)
         min = np.nanmin(Z)
-        levels = [min - 1, 0.0]
+        levels = [0.0, max]
 
         X, Y = np.meshgrid(y, x)
         ax.contourf(X.magnitude, Y.magnitude, Z, colors="white", levels=levels)
@@ -173,6 +173,8 @@ def plot_contour_filled(ax, x, y, Z, xlabel, ylabel, title, colorbar=False, max=
     constraint_plots = [0] * len(chosen_plots)
     plot_values = {}
     max_plot_area = 0.0
+
+    # loop over all three plots
     for i, plot in enumerate(chosen_plots):
         (
             crosssection_plots[i],

diff --git a/usecases/optimization_paper/bam_figures/create_heat_release_figure.py b/usecases/optimization_paper/bam_figures/create_heat_release_figure.py
@@ -11,40 +11,35 @@
 from lebedigital.unit_registry import ureg
 
 
-def create_heat_release_figure():
-    # todo add units for the input, convert to correct untis
-    #      add units for the output
-    #      change time to hours our days in plot
-    #      add legend
-    #      add title
-    #      add axis labels
+def create_heat_release_figure(parameter: dict, fig_path: str = "test_heat_realease_plot.pdf"):
     #      add figure to tex file and snakemake workflow
 
-    T = 20  # temperature...
-    dt = 60  # dt
-    time_total = 100000
+    parameter["B1"] = parameter["heatExBOne"]
+    parameter["B2"] = parameter["heatExBTwo"]
+    parameter["eta"] = parameter["heatExEta"]
+    parameter["alpha_max"] = parameter["heatExAlphaMax"]
+    parameter["E_act"] = parameter["heatExEAct"]
+    parameter["T_ref"] = parameter["heatExTRef"]
+    parameter["Q_pot"] = parameter["heatExQPot"]
+
+    T = parameter["heatExT"]  # temperature...
+    dt = parameter["heatExDt"]  # dt
+    time_total = parameter["heatExTimeTotal"]
     # what does T and dt do???
 
     time_list = np.arange(0, time_total, dt)
-    parameter = {}
-    parameter["B1"] = 3e-4
-    parameter["B2"] = 0.001
-    parameter["eta"] = 6
-    parameter["alpha_max"] = 0.875
-    parameter["E_act"] = 47002
-    parameter["T_ref"] = 25
-    parameter["Q_pot"] = 500e3
 
     variation_dict = {
         "B1": [parameter["B1"], 2.0e-4, 3.7e-4],
         "B2": [parameter["B2"], 0.0001, 0.01],
         "eta": [parameter["eta"], 9, 4.5],
+        "Q_pot": [parameter["Q_pot"], 350e3, 650e3],
     }
 
     material_problem = fenics_concrete.ConcreteThermoMechanical()
     hydration_fkt = material_problem.get_heat_of_hydration_ftk()
 
-    fig, axs = plt.subplots(1, len(variation_dict), figsize=(15, 3))
+    fig, axs = plt.subplots(2, len(variation_dict), figsize=(20, 7))
     ureg.setup_matplotlib()
 
     i = 0
@@ -56,42 +51,60 @@ def create_heat_release_figure():
 
             delta_heat = np.diff(heat_list) / dt
             plot_time = time_list[:-1]
-
-            axs[i].set_ylim([0, 0.006])
-            axs[i].plot(plot_time, delta_heat)
+            # add pint units to plot_time and delta_heat
+            plot_time = plot_time * ureg.second
+            # time_list = time_list * ureg.second
+            delta_heat = delta_heat * ureg.watt / ureg.kg
+            heat_list = heat_list * ureg.joule / ureg.kg
+
+            # convert plot_time to hours
+            plot_time = plot_time.to(ureg.hour)
+            # time_list = time_list.to(ureg.hour)
+            # convert delta_heat to mW/kg
+            delta_heat = delta_heat.to(ureg.mW / ureg.kg)
+            # heat_list = heat_list.to(ureg.mW / ureg.kg)
+
+            axs[0][i].set_ylim([0, 6])
+            axs[0][i].set_xlim([0, 24])
+            # plot delta heat over time with a legend
+            axs[0][i].plot(plot_time, delta_heat, label=key + " = " + str(value))
+
+            # cummulative heat release
+            axs[1][i].set_ylim([0, 400])
+            axs[1][i].set_xlim([0, 24 * 4])
+            axs[1][i].plot(plot_time, heat_list[:-1], label=key + " = " + str(value))
 
             # plt.plot(time_list, heat_list, label=parameter + " = " + str(value))
+        axs[0][i].legend()
+        # set legend to lower right corner
+        axs[1][i].legend()
+        axs[1][i].legend(loc="lower right")
+
+        axs[0][i].set_ylabel(f"Heat release rate in {delta_heat.units}")
+        axs[0][i].set_xlabel(f"time in {plot_time.units}")
+        axs[1][i].set_ylabel(f"Cumulated heat release in {heat_list.units}")
+        axs[1][i].set_xlabel(f"time in {plot_time.units}")
 
         i += 1
 
-    # initiate material problem
-    # get the respective function
-    #
-    # heat_list, doh_list = hydration_fkt(T, time_list, dt, parameter)
-    # print(heat_list)
-    # print(doh_list)
-    # print(time_list)
-
-    # #ureg.setup_matplotlib(enable=False)
-    # ureg2 = pint.UnitRegistry(auto_reduce_dimensions=True)
-
-    # fig.suptitle('Influence of aggregate ratio on effective concrete properties')
-    # axs[0].plot(time_list, heat_list)
-    # # axs[0].set_ylabel(f"Young's modulus in {E_list.units}")
-    # # axs[0].set_xlabel('aggregate volume fraction')
-    # axs[1].plot(time_list, doh_list)
-    # # axs[1].set_ylabel(f"Poission's ratio")
-    # # axs[1].set_xlabel('aggregate volume fraction')
-    # axs[2].plot(time_list, delta_heat)
-    # axs[2].set_ylabel(f"compressive strength {fc_list.units}")
-    # axs[2].set_xlabel('aggregate volume fraction')
-
-    # plt.subplots_adjust(wspace=0.4)
     fig.tight_layout()
-    plt.show()
+    # plt.show()
 
-    # fig.savefig(fig_path)
+    fig.savefig(fig_path)
 
 
 if __name__ == "__main__":
-    create_heat_release_figure()
+    parameter = {
+        "heatExBOne": 3e-4,
+        "heatExBTwo": 0.001,
+        "heatExEta": 6,
+        "heatExAlphaMax": 0.875,
+        "heatExEAct": 47002,
+        "heatExTRef": 25,
+        "heatExQPot": 500e3,
+        "heatExT": 20,
+        "heatExDt": 60,
+        "heatExTimeTotal": 60 * 60 * 24 * 4,
+    }
+
+    create_heat_release_figure(parameter)
diff --git a/usecases/optimization_paper/bam_figures/create_mechanics_evolution_figure.py b/usecases/optimization_paper/bam_figures/create_mechanics_evolution_figure.py
@@ -0,0 +1,95 @@
+import copy
+
+import fenics_concrete
+import matplotlib.pyplot as plt
+import numpy as np
+import pint
+import pytest
+from pint.testsuite.helpers import assert_quantity_almost_equal as assert_approx
+
+from lebedigital.simulation.concrete_homogenization import concrete_homogenization
+from lebedigital.unit_registry import ureg
+
+
+def create_mechanics_evolution_figure(input_parameter: dict, fig_path: str = "test_mechanics_evolution_plot.pdf"):
+    #      add figure to tex file and snakemake workflow
+
+    material_problem = fenics_concrete.ConcreteThermoMechanical()
+    e_fkt = material_problem.mechanics_problem.E_fkt
+    fc_fkt = material_problem.mechanics_problem.general_hydration_fkt
+
+    # general parameters
+    parameter = {
+        "alpha_t": input_parameter["evoExAlphaT"],
+        "alpha_tx": input_parameter["evoExAlphaTx"],
+        "alpha_0": 0.0,
+        "a_E": input_parameter["evoExaE"],
+        "a_X": input_parameter["evoExafc"],
+        "E": input_parameter["evoExE"],
+        "X": input_parameter["evoExfc"],
+    }
+
+    alpha_list = np.arange(0, 1, 0.005)
+
+    variation_dict = {
+        "alpha_t": {
+            "params": [parameter["alpha_t"], 0.0, 0.6],
+            "fkt": e_fkt,
+            "ylabel": "Elastic modulus $E$ [GPa ???]",
+            "ylim": 60,
+        },
+        "a_E": {
+            "params": [parameter["a_E"], 0.2, 1.3],
+            "fkt": e_fkt,
+            "ylabel": "Elastic modulus $E$ [GPa ???]",
+            "ylim": 60,
+        },
+        "a_X": {
+            "params": [parameter["a_X"], 0.2, 1.3],
+            "fkt": fc_fkt,
+            "ylabel": "Compressive strength $f_c$ [MPa ???]",
+            "ylim": 40,
+        },
+    }
+
+    # setup plot
+    fig, axs = plt.subplots(1, len(variation_dict), figsize=(5 * len(variation_dict), 4))
+    ureg.setup_matplotlib()
+
+    i = 0
+    for key in variation_dict.keys():
+        p = copy.deepcopy(parameter)
+        var_par_list = variation_dict[key]["params"]
+        fkt = variation_dict[key]["fkt"]
+
+        for value in var_par_list:
+            p[key] = value
+            y_list = []
+            for alpha in alpha_list:
+                y_list.append(fkt(alpha, p))
+            axs[i].plot(alpha_list, y_list, label=key + " = " + str(value))
+
+            axs[i].legend()
+            axs[i].set_xlabel(f"Degree of hydration $\\alpha$")
+            axs[i].set_ylabel(variation_dict[key]["ylabel"])
+            axs[i].set_xlim([0, 1])
+            axs[i].set_ylim([0, variation_dict[key]["ylim"]])
+
+        i += 1
+
+    fig.tight_layout()
+    # plt.show()
+    fig.savefig(fig_path)
+
+
+if __name__ == "__main__":
+    parameter = {
+        "evoExAlphaT": 0.2,
+        "evoExAlphaTx": 0.8,
+        "evoExaE": 0.5,
+        "evoExafc": 0.5,
+        "evoExE": 50,
+        "evoExfc": 30,
+    }
+
+    create_mechanics_evolution_figure(parameter)
diff --git a/usecases/optimization_paper/dodo.py b/usecases/optimization_paper/dodo.py
@@ -3,7 +3,9 @@
 
 import yaml
 from bam_figures.beam_design_plot import beam_design_plot
+from bam_figures.create_heat_release_figure import create_heat_release_figure
 from bam_figures.create_homogenization_figure import create_homogenization_figure
+from bam_figures.create_mechanics_evolution_figure import create_mechanics_evolution_figure
 from bam_figures.design_approach import design_approach_graph
 from bam_figures.paper_workflow_graph import paper_workflow_graph
 from doit import get_var
@@ -142,7 +144,7 @@ def task_build_homogenization_figure():
     target = paper_plot_target(homogenization_plot_name)
 
     return {
-        "file_dep": [homogenization_plot_script],
+        "file_dep": [homogenization_plot_script, py_macros_file_BAM.with_suffix(".yaml")],
         "actions": [
             (
                 create_homogenization_figure,
@@ -154,6 +156,50 @@ def task_build_homogenization_figure():
     }
 
 
+def task_build_heat_release_figure():
+    """build homogenization figure"""
+    # homogenization figure
+    heat_release_plot_name = data["file_names"]["heatReleasePlot"]  # name of pdf file defined in macros yaml
+    heat_release_plot_script = ROOT / BAM_PLOT_DIR / "create_heat_release_figure.py"
+    heat_release_plot_output_file = ROOT / FIGURES_DIR / heat_release_plot_name
+
+    target = paper_plot_target(heat_release_plot_name)
+
+    return {
+        "file_dep": [heat_release_plot_script, py_macros_file_BAM.with_suffix(".yaml")],
+        "actions": [
+            (
+                create_heat_release_figure,
+                [data["heat_release_example_parameters"], heat_release_plot_output_file],
+            )
+        ],
+        "targets": [target],
+        "clean": True,
+    }
+
+
+def task_build_evolution_figure():
+    """build evolution figure"""
+    # evolution figure
+    evolution_plot_name = data["file_names"]["evolutionPlot"]  # name of pdf file defined in macros yaml
+    evolution_plot_script = ROOT / BAM_PLOT_DIR / "create_mechanics_evolution_figure.py"
+    evolution_plot_output_file = ROOT / FIGURES_DIR / evolution_plot_name
+
+    target = paper_plot_target(evolution_plot_name)
+
+    return {
+        "file_dep": [evolution_plot_script, py_macros_file_BAM.with_suffix(".yaml")],
+        "actions": [
+            (
+                create_mechanics_evolution_figure,
+                [data["evolution_example_parameters"], evolution_plot_output_file],
+            )
+        ],
+        "targets": [target],
+        "clean": True,
+    }
+
+
 def task_build_beam_design_figure():
     """build beam design figure"""
     beam_design_plot_name = data["file_names"]["beamDesignPlot"]  # name of output pdf file as defined in macros yaml
@@ -170,7 +216,7 @@ def task_build_beam_design_figure():
         raise ValueError("Unknown mode")
 
     return {
-        "file_dep": [beam_design_plot_script],
+        "file_dep": [beam_design_plot_script, py_macros_file_BAM.with_suffix(".yaml")],
         "actions": [(beam_design_plot, [data["beam_design_example_parameters"], n, beam_design_plot_output_file])],
         "targets": [target],
         "clean": True,