# # # # material_fracturing data archive readme # # # # # # # # Approved for unlimited release LA-UR-25-22599. # # # # # # # PHASE-FIELD # # # This repository contains simulation output data organizedi into compressed .tag.gz archives of HDF5 (.h5) files. The data is goruped under 5 different material directories and 2 boundary condition subdirectories containing a sequence of tarballs (e.g.): PHASE-FIELD/ ├── aluminum/ │ ├── combined_bc/ │ ├── xz_batch_000.tar.gz │ ├── xz_batch_001.tar.gz │ ├── horizontal_bc/ │ ├── z_batch_000.tar.gz │ └── ... ├── pbx/ │ ├── combined_bc/ │ ├── horizontal_bc/ │ ├── z_batch_000.tar.gz │ └── ... └── shale/ │ ├── combined_bc/ │ ├── horizontal_bc/ │ ├── z_batch_000.tar.gz │ └── ... ... Each .tar.gz archive holds 1000 compressed HDF5 (.h5) files. *the folders that are prepend with 'test_' are for the random orientation files [for our purposes these were used for generalization tests for ML models]*. The .h5 files are named using the following convention: frac_pull_{bc}_{modnum}.h5 where {bc} represents the boundary condtion types [z,xz] (uniaxial,biaxial) {modnum} represents the simulation (or model) number. # # Stucture of each .h5 file # # Each HDF5 file contains fracture simulatio ndata and is orgnize by a consistent set of keys: grid points dtype: int32 The number of gird points in the simulation. model {modnum} break time float Represents the simulation time-to-failure. model {modnum} fracture at time = {time} numpy array of shape (128,128) dtype: float32 Represents the phase-field scalar variable at each time across the model domain model {modnum} fracture initial numpy array of shape (128,128) dtype: float32 The initial (unfractured) state of the model before any deformation. model {modnum} fracture final numpy array of shape (128,128) dtype: float32 The final fracture configuration at the time-to-failure. origin dtype: int32 Represents the origin coordinate. spacing dtype: int32 Represents the simulation spacing. # .h5 file keys example # == Keys In File == grid points model 100195 break time model 100195 fracture at time = 1.0999999E-04 model 100195 fracture at time = 1.2000000E-04 model 100195 fracture at time = 1.3000000E-04 model 100195 fracture at time = 1.3999999E-04 model 100195 fracture at time = 1.4999999E-04 model 100195 fracture at time = 1.6000000E-04 model 100195 fracture at time = 1.7000000E-04 model 100195 fracture at time = 1.8000000E-04 model 100195 fracture at time = 1.8999999E-04 model 100195 fracture at time = 1.9999999E-04 model 100195 fracture at time = 1.9999999E-05 model 100195 fracture at time = 2.1000000E-04 model 100195 fracture at time = 2.1999999E-04 model 100195 fracture at time = 2.2999999E-04 model 100195 fracture at time = 2.3999999E-04 model 100195 fracture at time = 2.4999998E-04 model 100195 fracture at time = 2.6000000E-04 model 100195 fracture at time = 2.6999999E-04 model 100195 fracture at time = 2.7999998E-04 model 100195 fracture at time = 2.9000000E-04 model 100195 fracture at time = 2.9999999E-04 model 100195 fracture at time = 2.9999999E-05 model 100195 fracture at time = 3.1000000E-04 model 100195 fracture at time = 3.9999999E-05 model 100195 fracture at time = 4.9999999E-05 model 100195 fracture at time = 5.9999998E-05 model 100195 fracture at time = 6.9999995E-05 model 100195 fracture at time = 7.9999998E-05 model 100195 fracture at time = 9.0000001E-05 model 100195 fracture at time = 9.9999997E-05 model 100195 fracture at time = 9.9999997E-06 model 100195 fracture final model 100195 fracture initial origin spacing # # # HOSS # # # This repository contains simulation output data organized into compressed .tar.gz archives of HDF5 (.h5) files. The data is grouped under three different material directories containing a sequence of tarballs (e.g.): HOSS/ ├── pbx/ │ ├── batch_001.tar.gz │ ├── batch_002.tar.gz │ └── ... ├── shale/ │ ├── batch_001.tar.gz │ ├── batch_002.tar.gz │ └── ... └── tungsten/ ├── batch_001.tar.gz ├── batch_002.tar.gz └── ... Each .tar.gz archive holds 1000 compressed HDF5 (.h5) files. The .h5 files are named using the following convention: frac_pull_z_{modnum}.h5 where {modnum} represents the simulation (or model) number. # # Structure of each .h5 file # # Each HDF5 file contains fracture simulation data and is organized by a consistent set of keys: model {modnum} break time float Represents the simulation time-to-failure. model {modnum} fracture at time = {step}_{time} numpy array of shape (X,7) where X is the total number of edge segments with columns: [p1_x, p1_y, p1_z, p2_x, p2_y, p2_z, damage] p1_x is the x-coordinate position of the 1st point on the edge p1_y is the y-coordinate position of the 1st point on the edge p1_z is the z-coordinate position of the 1st point on the edge p2_x is the x-coordinate position of the 2nd point on the edge p2_y is the y-coordinate position of the 2nd point on the edge p2_z is the z-coordinate position of the 2nd point on the edge damage is the 0.0 to 1.0 value of loss of cohesion (1.0 is complete failure) For more details on cohesion see (Lei, Z., Rougier, E., Knight, E. E., Zang, M. & Munjiza, A. Impact fracture and fragmentation of glass via the 3d combined finite-discrete element method. Applied Sciences 11, 2484 (2021)) Snapshots of the fracture state at discrete simulation time steps. {step}: Sequential index of the snapshot. {time}: Physical simulation time in scientific notation (seconds). model {modnum} fracture initial numpy array of shape (X,7) where X is the total number of edge segments with columns: [p1_x, p1_y, p1_z, p2_x, p2_y, p2_z, damage] The initial (unfractured) state of the model before any deformation. model {modnum} fracture final numpy array of shape (X,7) where X is the total number of edge segments with columns: [p1_x, p1_y, p1_z, p2_x, p2_y, p2_z, damage] The final fracture configuration at the time-to-failure. unique lines int The total number of unique edge segements in simulation that represents the unstructured grid. # .h5 file keys example # == Keys In File == model 15941 break time model 15941 fracture at time = 001_0.00000000e+00 model 15941 fracture at time = 002_2.00000000e-09 model 15941 fracture at time = 003_4.00000000e-09 model 15941 fracture at time = 004_6.00000000e-09 model 15941 fracture at time = 005_8.00000000e-09 model 15941 fracture at time = 006_1.00000000e-08 model 15941 fracture at time = 007_1.20000000e-08 model 15941 fracture at time = 008_1.40000000e-08 model 15941 fracture at time = 009_1.60000000e-08 model 15941 fracture at time = 010_1.80000000e-08 model 15941 fracture at time = 011_2.00000000e-08 model 15941 fracture at time = 012_2.20000000e-08 model 15941 fracture at time = 013_2.40000000e-08 model 15941 fracture at time = 014_2.60000000e-08 model 15941 fracture at time = 015_2.80000000e-08 model 15941 fracture at time = 016_3.00000000e-08 model 15941 fracture at time = 017_3.20000000e-08 model 15941 fracture final model 15941 fracture initial unique lines # Plots # frac_pull_z_15941.gif An example .gif of a single simulation as the fracture patterns evolve. # DATA # extract_h5.py An example .py file for opening data from an example .h5 file.