Documentation

ntfa.py

@@ -5,6 +5,7 @@
 import h5py
 from utilities import *
 from material_parameters import *
+from tqdm import tqdm
 
 def read_snapshots(file_name, data_path):
     """
@@ -84,22 +85,17 @@ def mode_identification(plastic_snapshots, vol_frac, r_min=1e-8):
 
 def compute_ntfa_matrices(strain_localization, stress_localization, plastic_modes, mat_thermal_strain, mesh):
     """
-    Processing of the plastic strain modes µ to compute the matrices A_bar, D_xi, C_bar and the vector tau_theta
-    as tabular data at given temperatures
+    Compute the ntfa matrices C_bar, A_bar, D_xi, the vectors tau_theta, tau_xi and the scalar D_theta
+    for given strain_localization, stress_localization, plastic_modes and mat_thermal_strain
     :param strain_localization: strain localization 3D array
         with shape (n_integration_points, strain_dof, 7 + n_modes)
     :param stress_localization: stress localization 3D array
         with shape (n_integration_points, strain_dof, 7 + n_modes)
-    :param mat_stiffness: stiffness tensors of the phases
-        with shape (n_phases, strain_dof, strain_dof)
-    :param mat_id: material phase identification
-        with shape (n_elements,)
-    :param mesh:
-    :param plastic_modes: plastic strain modes µ
-        with shape (n_integration_points, strain_dof, N_modes)
-    :param eigen_strains: solutions of the auxiliary eigenstress problems eps_star
-        with shape (n_integration_points, strain_dof, N_modes)
-    :param ...:
+    :param plastic_modes: plastic strain modes
+        with shape (n_integration_points, strain_dof, n_modes)
+    :param mat_thermal_strain: thermal strains of the phases
+        with shape (n_phases, strain_dof, 1)
+    :param mesh: dict with mesh information
     :return:
         C_bar with shape (strain_dof, strain_dof)
         tau_theta with shape (strain_dof,)
@@ -113,19 +109,18 @@ def compute_ntfa_matrices(strain_localization, stress_localization, plastic_mode
     n_modes = plastic_modes.shape[2]
     n_gp = mesh['n_integration_points']
     n_gauss = mesh['n_gauss']
+    I = np.eye(6)
 
     # slice strain localization operator E into E_eps, E_theta, E_xi
     E_eps = strain_localization[:, :, :strain_dof]
     E_theta = strain_localization[:, :, strain_dof]
     E_xi = strain_localization[:, :, strain_dof + 1:]
 
-
     # slice stress localization operator S into S_eps, S_theta, S_xi
     S_eps = stress_localization[:, :, :strain_dof]
     S_theta = stress_localization[:, :, strain_dof]
     S_xi = stress_localization[:, :, strain_dof + 1:]
 
-    I = np.eye(6)
     # Compute C_bar via < (E_eps + I).T @ S_eps >
     C_bar = volume_average((E_eps + I).transpose((0, 2, 1)) @ S_eps)
 
@@ -140,7 +135,7 @@ def compute_ntfa_matrices(strain_localization, stress_localization, plastic_mode
     tau_xi = np.zeros((1, n_modes))
     for gp_id in prange(n_gp):
         phase_id = mat_id[gp_id // n_gauss]
-        tau_xi += (E_theta[gp_id] - mat_thermal_strain[phase_id].T) @ S_xi[gp_id] / n_gp
+        tau_xi += (np.expand_dims(E_theta[gp_id], axis=1) - mat_thermal_strain[phase_id]).T @ S_xi[gp_id] / n_gp
 
     # Compute D_xi via < (E_xi - P_xi).T @ S_xi >
     D_xi = volume_average((E_xi - plastic_modes).transpose((0, 2, 1)) @ S_xi)
@@ -150,9 +145,9 @@ def compute_ntfa_matrices(strain_localization, stress_localization, plastic_mode
     D_theta = 0.
     for gp_id in prange(n_gp):
         phase_id = mat_id[gp_id // n_gauss]
-        D_theta += (E_theta[gp_id] - mat_thermal_strain[phase_id].T) @ S_theta[gp_id] / n_gp
+        D_theta += (np.expand_dims(E_theta[gp_id], axis=1) - mat_thermal_strain[phase_id]).T @ S_theta[gp_id] / n_gp
 
-    return C_bar, tau_theta, A_bar, tau_xi, D_xi, D_theta
+    return C_bar, tau_theta.ravel(), A_bar, tau_xi.ravel(), D_xi, D_theta
 
 
 def compute_phase_average_stresses(strain_localization, mat_stiffness, mat_thermal_strain, plastic_modes, zeta, mesh):
@@ -223,7 +218,7 @@ def compute_tabular_data(samples, mesh, temperatures):
     sample_temperatures = np.array([sample['temperature'] for sample in samples])
     temp1, temp2 = min(sample_temperatures), max(sample_temperatures)
     sample_alphas = (sample_temperatures - temp1) / (temp2 - temp1)
-    for idx in prange(n_temps):
+    for idx in tqdm(range(n_temps)):
         temperature = temperatures[idx]
         ref_C = np.stack(([stiffness_cu(temperature), stiffness_wsc(temperature)]))
         ref_eps = np.expand_dims(np.stack(([thermal_strain_cu(temperature), thermal_strain_wsc(temperature)])), axis=2)