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a/examples/ReproducableCode/Convergence.py +++ b/examples/ReproducableCode/Convergence.py @@ -58,12 +58,12 @@ p_interp1d = [interp1d(x[i], p[i]) for i in range(len(number_cells_vec))] # Calculate L2-error y_A_error_L2, y_C_error_L2, y_S_error_L2, phi_error_L2, p_error_L2 = [], [], [], [], [] for i in range(len(number_cells_vec)-1): - y_A_error_L2.append(np.trapz((y_A_interp1d[i](x[i]) - y_A_interp1d[-1](x[i]))**2, x[i])) - y_C_error_L2.append(np.trapz((y_C_interp1d[i](x[i]) - y_C_interp1d[-1](x[i]))**2, x[i])) - y_S_error_L2.append(np.trapz((y_S_interp1d[i](x[i]) - y_S_interp1d[-1](x[i]))**2, x[i])) - phi_error_L2.append(np.trapz((phi_interp1d[i](x[i]) - phi_interp1d[-1](x[i]))**2, x[i])) - p_error_L2.append(np.trapz((p_interp1d[i](x[i]) - p_interp1d[-1](x[i]))**2, x[i])) - + y_A_error_L2.append(np.sqrt(np.trapz((y_A_interp1d[i](x[i]) - y_A_interp1d[-1](x[i]))**2, x[i]))) + y_C_error_L2.append(np.sqrt(np.trapz((y_C_interp1d[i](x[i]) - y_C_interp1d[-1](x[i]))**2, x[i]))) + y_S_error_L2.append(np.sqrt(np.trapz((y_S_interp1d[i](x[i]) - y_S_interp1d[-1](x[i]))**2, x[i]))) + phi_error_L2.append(np.sqrt(np.trapz((phi_interp1d[i](x[i]) - phi_interp1d[-1](x[i]))**2, x[i]))) + p_error_L2.append(np.sqrt(np.trapz((p_interp1d[i](x[i]) - p_interp1d[-1](x[i]))**2, x[i]))) + # Log-log plot of L2-error plt.figure() plt.loglog(number_cells_vec[:-1], y_A_error_L2, 'o-', label='$y_A$') diff --git a/examples/ReproducableCode/ParameterAnalysis/FractionsHeightLeft.py b/examples/ReproducableCode/ParameterAnalysis/FractionsHeightLeft.py index 9e7d8e12f52f9c6b5ff9b067213523a424607f1d..c9b1ee021bac0c7aff93742a8a1cf53f91be8539 100644 --- a/examples/ReproducableCode/ParameterAnalysis/FractionsHeightLeft.py +++ b/examples/ReproducableCode/ParameterAnalysis/FractionsHeightLeft.py @@ -21,7 +21,7 @@ del sys.path[0] import matplotlib.pyplot as plt import numpy as np -# Define Parameter and buondary conditions +# Define Parameter and boundary conditions phi_right = 0.0 p_right = 0.0 y_A_R, y_C_R = 1/3, 1/3 @@ -61,4 +61,4 @@ axs.set_xlabel('$\delta \\varphi$ [-]') axs.set_ylabel('$y_\\alpha$ [-]') axs.legend() fig.tight_layout() -fig.show() \ No newline at end of file +fig.show() diff --git a/examples/ReproducableCode/ParameterAnalysis/Molarity.py b/examples/ReproducableCode/ParameterAnalysis/Molarity.py new file mode 100644 index 0000000000000000000000000000000000000000..9d6a8343b1a1c5e282837c056e4de6ea65bc0f6f --- /dev/null +++ b/examples/ReproducableCode/ParameterAnalysis/Molarity.py @@ -0,0 +1,92 @@ +''' +Jan Habscheid +Jan.Habscheid@rwth-aachen.de +''' +# import the src file needed to solve the system of equations +import sys +import os + + +# Add the src directory to the sys.path +src_path = os.path.join(os.path.dirname(os.path.abspath(__file__)), '../../..', 'src') +sys.path.insert(0, src_path) + +from Eq04 import solve_System_4eq + +# Remove the src directory from sys.path after import +del sys.path[0] + +# Import plotting library +import matplotlib.pyplot as plt +import numpy as np + +# Define Parameter and buondary conditions +phi_right = 0.0 +p_right = 0.0 +z_A, z_C = -1.0, 1.0 +K = 'incompressible' +a2 = 7.5412e-4 +nR_mol = 55 +number_cells = 1024*4 +refinement_style = 'hard_log' +rtol = 1e-8 +max_iter = 10_000 + +Molarity = np.array([0.01, 0.1, 1.0]) # 10 +y_A_L = Molarity / nR_mol + +# Define left values of electric potential and values for lambda^2 +phi_left = 16.0 +Lambda2 = 8.553e-6 +y_A, y_C, y_S, phi, p, x = [], [], [], [], [], [] + +# Solve the system for different values of phi_left +for y_alpha_L_ in y_A_L: + y_A_, y_C_, phi_, p_, x_ = solve_System_4eq(phi_left, phi_right, p_right, z_A, z_C, y_alpha_L_, y_alpha_L_, K, Lambda2, a2, number_cells, relax_param=0.05, x0=0, x1=1, refinement_style=refinement_style, return_type='Vector', max_iter=max_iter, rtol=rtol) + y_A.append(y_A_) + y_C.append(y_C_) + y_S.append(1 - y_A_ - y_C_) + phi.append(phi_) + p.append(p_) + x.append(x_) + +# Visualize the results +fig, axs = plt.subplots(ncols=3, figsize=(10, 5)) +xlim = 0.1 +markers = ['--', '-', ':'] +colors = ['tab:blue', 'tab:orange', 'tab:green', 'tab:red', 'tab:purple'] + +for i in range(len(Molarity)): + clr = colors[i] + axs[0].plot(x[i], y_A[i], color=clr)#, lw=lw) + axs[1].plot(x[i], y_C[i], color=clr)#, lw=lw) + axs[2].plot(x[i], y_S[i], color=clr)#, lw=lw) +[axs[i].grid() for i in range(3)] +[axs[i].set_xlim(0,xlim) for i in range(3)] +axs[0].set_ylim(0, 1) +axs[1].set_ylim(0, np.max(y_C)) +axs[2].set_ylim(0, 1) +[axs[i].set_xlabel('$x$ [-]') for i in range(3)]#, fontsize=labelsize) +# axs.set_ylabel('$y_\\alpha$ [-]')#, fontsize=labelsize) +axs[0].set_ylabel('$y_A$ [-]')#, fontsize=labelsize) +axs[1].set_ylabel('$y_C$ [-]')#, fontsize=labelsize) +axs[2].set_ylabel('$y_S$ [-]')#, fontsize=labelsize) +# axs.tick_params(axis='both')#, labelsize=labelsize) + +# dummy, = axs.plot(2, 0, color='grey', linestyle='--', label='$y_A$') +# dummy, = axs.plot(2, 2, color='grey', linestyle='-', label='$y_C$') +# dummy, = axs.plot(2, 2, color='grey', linestyle=':', label='$y_S$') +for i in range(len(Molarity)): + dummy, = axs[0].plot(2, 0, color=colors[i], linestyle='-', label=f'$M$: {Molarity[i]}') + +lines_labels = [ax.get_legend_handles_labels() for ax in fig.axes] +lines, labels = [sum(lol, []) for lol in zip(*lines_labels)] + +# Finally, the legend (that maybe you'll customize differently) +lgnd = fig.legend(lines, labels, bbox_to_anchor=(0.7,1.05), ncol=4) +fig.tight_layout() +fig.savefig('../../Figures/ParameterAnalysis/Molarity.svg', bbox_inches='tight') +fig.show() + +# Save the Results +np.savez('../../Data/ParameterAnalysis/Molarity.npz', phi_right=phi_right, p_right = p_right, y_alpha_L = y_alpha_L_, z_A = z_A, z_C = z_C, number_cells=number_cells, a2=a2, phi_left=phi_left, Lambda2=Lambda2, x=x, phi=phi, y_A=y_A, y_C=y_C, y_S=y_S, p=p) \ No newline at end of file diff --git a/examples/Visualizations/VisCompressibility.py b/examples/Visualizations/VisCompressibility.py index 7c20122ce7a44dcedde39ffc1f3ff1f28061a167..defcfbea471cafc1b45a9a0282bee0ffd1494351 100644 --- a/examples/Visualizations/VisCompressibility.py +++ b/examples/Visualizations/VisCompressibility.py @@ -53,40 +53,64 @@ axs[0,1].set_xlabel('x [-]', fontsize=labelsize) axs[0,1].set_ylabel('$y_\\alpha$ [-]', fontsize=labelsize) axs[0,1].tick_params(axis='both', labelsize=labelsize) -# a = plt.axes([.75, .77, .2, .2]) + +# Scale to log-log plot by uncommenting and commenting the two sections +# log-log plot # for i in range(len(K_vec)): # clr = colors[i] -# a.plot(x[i], y_S[i], markers[0], color=clr, lw=lw) -# axs[0,1].plot(0, 0.1, color='grey', linestyle='--', label='Solvent') -# a.set_xlim(0,xlim) -# a.grid() -# a.set_xlabel('$x [-]$', fontsize=labelsize) -# a.set_ylabel('$y_S$ [-]', fontsize=labelsize) -# a.tick_params(axis='both', labelsize=labelsize) - - -for i in range(len(K_vec)): +# axs[1,1].plot(x[i], y_A[i] * n[i], markers[0], color=clr, lw=lw) +# axs[1,1].plot(x[i], y_C[i] * n[i], markers[1], color=clr, lw=lw) +# axs[1,1].set_xscale('log') +# axs[1,1].set_yscale('log') +# axs[1,1].set_xlim(0,xlim) +# axs[1,1].grid() +# axs[1,1].set_xlabel('log(x) [-]', fontsize=labelsize) +# axs[1,1].set_ylabel('log($n_\\alpha$) [-]', fontsize=labelsize) +# axs[1,1].tick_params(axis='both', labelsize=labelsize) + +# linear plot +for i in range(len(K_vec)-1): clr = colors[i] axs[1,1].plot(x[i], y_A[i] * n[i], markers[0], color=clr, lw=lw) - axs[1,1].plot(x[i], y_C[i] * n[i], markers[1], color=clr, lw=lw) -axs[1,1].set_xscale('log') -axs[1,1].set_yscale('log') -axs[1,1].set_xlim(0,xlim) + # axs[1,1].plot(x[i], y_C[i] * n[i], markers[1], color=clr, lw=lw) +axs[1,1].set_xlim(0,0.01) axs[1,1].grid() -axs[1,1].set_xlabel('log(x) [-]', fontsize=labelsize) -axs[1,1].set_ylabel('log($n_\\alpha$) [-]', fontsize=labelsize) +axs[1,1].set_xlabel('x [-]', fontsize=labelsize) +axs[1,1].set_ylabel('$n_A$ [-]', fontsize=labelsize) axs[1,1].tick_params(axis='both', labelsize=labelsize) -[axs[1,0].plot(x[i], p[i], lw=lw, color=colors[i]) for i in range(len(K_vec))] -axs[1,0].set_yscale('log') -axs[1,0].set_xlim(0,xlim) -axs[1,0].set_ylim(1e-9, np.max(p)) +a = plt.axes([.75, .27, .2, .2]) +for i in range(len(K_vec)-1): + clr = colors[i] + a.plot(x[i], y_C[i] * n[i], markers[1], color=clr, lw=lw) +# axs[0,1].plot(0, 0.1, color='grey', linestyle='--', label='Solvent') +a.set_xlim(0,0.025) +a.set_ylim(0, 1) +a.grid() +a.set_xlabel('$x$ [-]', fontsize=labelsize) +a.set_ylabel('$n_C$ [-]', fontsize=labelsize) +a.tick_params(axis='both', labelsize=labelsize) + +# Scale to log plot by uncommenting and commenting the two sections +# log plot +# [axs[1,0].plot(x[i], p[i], lw=lw, color=colors[i]) for i in range(len(K_vec))] +# axs[1,0].set_yscale('log') +# axs[1,0].set_xlim(0,xlim) +# axs[1,0].set_ylim(1e-9, np.max(p)) +# axs[1,0].grid() +# axs[1,0].set_xlabel('x [-]', fontsize=labelsize) +# axs[1,0].set_ylabel('log($p$) [-]', fontsize=labelsize) +# axs[1,0].tick_params(axis='both', labelsize=labelsize) + +# linear plot +[axs[1,0].plot(x[i], p[i], lw=lw, color=colors[i]) for i in range(len(K_vec)-1)] +axs[1,0].set_xlim(0,0.01) +# axs[1,0].set_ylim(1e-9, np.max(p)) axs[1,0].grid() axs[1,0].set_xlabel('x [-]', fontsize=labelsize) -axs[1,0].set_ylabel('log($p$) [-]', fontsize=labelsize) +axs[1,0].set_ylabel('$p$ [-]', fontsize=labelsize) axs[1,0].tick_params(axis='both', labelsize=labelsize) - # order = [0, 5, 1, 6, 2, 7, 3, 4] # order = [0, 5, 1, 6, 2, 3, 4] order = [0, 5, 1, 4, 2, 3] @@ -97,5 +121,5 @@ lgnd = fig.legend([lines[i] for i in order], [labels[i] for i in order], bbox_to for line in lgnd.get_lines(): line.set_linewidth(legend_width) fig.tight_layout() -fig.savefig('../Figures/Compressibility.svg', bbox_inches='tight') +fig.savefig('../Figures/Compressibility_no_log.svg', bbox_inches='tight') fig.show() \ No newline at end of file diff --git a/examples/Visualizations/VisConvergence.py b/examples/Visualizations/VisConvergence.py index aa9c0291367cba20036a73865d3e146ca273494f..163dff17cdce2a9f1d4170c660389390c33eaae3 100644 --- a/examples/Visualizations/VisConvergence.py +++ b/examples/Visualizations/VisConvergence.py @@ -26,8 +26,8 @@ p_error_inf = data['p_error_inf'] # Reference order x_ref = [1e+1, 1e+5] O1_2_ref = [10e+4, 10e+0] -O2_2_ref = [10e-8, 10e-16] -O3_2_ref = [10e-8, 10e-20] +O2_2_ref = [10e-3, 10e-11] +# O3_2_ref = [10e-8, 10e-20] O1_inf_ref = [10e+4, 10e+0] O2_inf_ref = [10e-4, 10e-12] # O3_inf_ref = [10e-1, 10e-13] @@ -46,8 +46,8 @@ axs[0].loglog(number_cells_vec[:-1], y_S_error_L2, 'o-', label='$y_S$', lw=lw, m axs[0].loglog(number_cells_vec[:-1], phi_error_L2, 'o-', label='$\\varphi$', lw=lw, ms=ms) axs[0].loglog(number_cells_vec[:-1], p_error_L2, 'o-', label='$p$', lw=lw, ms=ms) axs[0].loglog(x_ref, O1_2_ref, Ref_Ord_marker[0], color='tab:gray', label='$O(nx)^1$', lw=lw, ms=ms) -# axs[0].loglog(x_ref, O2_2_ref, Ref_Ord_marker[1], color='tab:gray', label='$O(nx)^2$', lw=lw, ms=ms) -axs[0].loglog(x_ref, O3_2_ref, Ref_Ord_marker[2], color='tab:gray', label='$O(nx)^3$', lw=lw, ms=ms) +axs[0].loglog(x_ref, O2_2_ref, Ref_Ord_marker[1], color='tab:gray', label='$O(nx)^2$', lw=lw, ms=ms) +# axs[0].loglog(x_ref, O3_2_ref, Ref_Ord_marker[2], color='tab:gray', label='$O(nx)^3$', lw=lw, ms=ms) axs[0].set_xlabel('log(nx)', fontsize=labelsize) axs[0].set_ylabel('log($L_2$)', fontsize=labelsize) axs[0].grid() @@ -66,7 +66,8 @@ axs[1].set_ylabel('log($L_\infty$)', fontsize=labelsize) axs[1].grid() axs[1].tick_params(axis='both', labelsize=labelsize) -order = [0, 5, 1, 7, 2, 6, 3, 4] +# order = [0, 5, 1, 7, 2, 6, 3, 4] +order = [0, 5, 1, 6, 2, 3, 4] lines_labels = [ax.get_legend_handles_labels() for ax in fig.axes] lines, labels = [sum(lol, []) for lol in zip(*lines_labels)] lgnd = fig.legend([lines[i] for i in order], [labels[i] for i in order], bbox_to_anchor=(0.81,1.2), ncol=5, fontsize=labelsize) diff --git a/examples/Visualizations/VisPoissonBoltzmann.py b/examples/Visualizations/VisPoissonBoltzmann.py index 3848e55f74da5bace3329efb2f2fbae9c727e225..b5c99a85905a73a8d05bbda7ddacfe0d352fe0de 100644 --- a/examples/Visualizations/VisPoissonBoltzmann.py +++ b/examples/Visualizations/VisPoissonBoltzmann.py @@ -216,4 +216,58 @@ fig.legend(lines, labels, bbox_to_anchor=(0.69,1.1), ncol=6, fontsize=labelsize) fig.tight_layout() fig.savefig('../Figures/PoissonBoltzmann_Convergence.svg', bbox_inches='tight') +fig.show() + + +# Visualize the results - rescale to physical values +''' +The dimensionless parameter were chosen to: +Lambda2 = 8.553e-6 +a2 = 7.5412e-4 +with the following physical parameters: +T = 293.75 [K] - Temperature +nR = 55 [mol/l] - Reference number density +pR = 1 [atm] - Reference pressure +LR = 20e-9 [m] - Reference length +chi = 80 [-] - Dielectric permittivity +The constants: +e0 = 1.602e-19 [As] - Dielectric constant +k = 1.381e-23 [1/mol] - Avogadro constant +''' +e0 = 1.602e-19 # [As] +k = 1.381e-23 # [J/K] +T = 293.75 # [K] +phi_left_vec_physical = phi_left_vec * (k*T)/e0 +fig, axs = plt.subplots(ncols=2, figsize=(30, 12)) +labelsize = 40 +lw = 6 +ms=20 +# Log-log plot of L2-error +axs[0].plot(phi_left_vec_physical, y_A_error_L2, 'o-', label='$y_A$', lw=lw, ms=ms) +axs[0].plot(phi_left_vec_physical, y_C_error_L2, 'o-', label='$y_C$', lw=lw, ms=ms) +axs[0].plot(phi_left_vec_physical, y_S_error_L2, 'o-', label='$y_S$', lw=lw, ms=ms) +axs[0].set_yscale('log') +axs[0].set_xlabel('$\delta \\varphi [V]$', fontsize=labelsize) +axs[0].set_ylabel('log($L_2$) [-]', fontsize=labelsize) +axs[0].tick_params(axis='both', labelsize=labelsize) +axs[0].grid() + +# Log-log plot of infinity error +axs[1].plot(phi_left_vec_physical, y_A_error_inf, 'o-', lw=lw, ms=ms) +axs[1].plot(phi_left_vec_physical, y_C_error_inf, 'o-', lw=lw, ms=ms) +axs[1].plot(phi_left_vec_physical, y_S_error_inf, 'o-', lw=lw, ms=ms) +axs[1].set_yscale('log') +axs[1].set_xlabel('$\delta \\varphi [V]$', fontsize=labelsize) +axs[1].set_ylabel('log($L_\infty$) [-]', fontsize=labelsize) +axs[1].tick_params(axis='both', labelsize=labelsize) +axs[1].grid() + +lines_labels = [ax.get_legend_handles_labels() for ax in fig.axes] +lines, labels = [sum(lol, []) for lol in zip(*lines_labels)] + +# Finally, the legend (that maybe you'll customize differently) +fig.legend(lines, labels, bbox_to_anchor=(0.69,1.1), ncol=6, fontsize=labelsize) + +fig.tight_layout() +fig.savefig('../Figures/PoissonBoltzmann_Convergence_Rescaled_Dimensions.svg', bbox_inches='tight') fig.show() \ No newline at end of file diff --git a/src/__pycache__/Eq04.cpython-312.pyc b/src/__pycache__/Eq04.cpython-312.pyc index 372244f1b18580495c00297122b6ba8e8c7e8296..9cc7e7b2191c75121f413d3823a6721a84e10309 100644 Binary files a/src/__pycache__/Eq04.cpython-312.pyc and b/src/__pycache__/Eq04.cpython-312.pyc differ