## ExaDiS tools ```{note} A set of tools is implemented in folder `tools/`. To compile them, OpenDiS/ExaDiS must be built with compilation flag `-DEXADIS_BUILD_TOOLS=On`. ``` ### Computing internal stress fields Tool `exadis_stress_field` in folder `bin/` (or `core/exadis/bin/`) allows to compute the internal stress field on a regular grid resulting from all dislocations in a configuration. It uses the non-singular dislocation expression ([Ref](https://doi.org/10.1016/j.jmps.2005.09.005)) to evaluate the stress field associated with each dislocation segment. #### Usage ``` ./exadis_stress_field config.data -MU 50e9 -NU 0.3 -a 1.0 -N 32 ``` #### Options * `-MU`, `--shear_modulus` (required): Shear modulus (Pa) * `-NU`, `--poisson_ratio `(required): Poisson ratio * `-a`, `--core_radius` (required): Dislocation core radius (b) * `-N`, `--ngrid` (optional): Grid resolution [N] to compute the stress field. Default: `32`. * `-Nxyz`, `--ngridxyz` (optional): Grid resolution [Nx,Ny,Nz] to compute the stress field. Default: none. * `-o`, `--output`" (optional): Output file name. Default: `stress.dat`. * `-Nimg`, `--nimages` (optional): Number of periodic images to compute the stress field. Default: `1`. * `-pbc`, `--pbc_flags` (optional): Periodic boundary conditions along the 3 directions. Default: `1 1 1`. * `-reg`, `--regularize_convergence` (optional): Apply regularization of the conditional convergence. Default: `1`. ### Computing displacement gradient fields Tool `exadis_dispgrad_field` in folder `bin/` (or `core/exadis/bin/`) allows to compute the displacement gradient field on a regular grid resulting from all dislocations in a configuration. It uses the non-singular dislocation expression ([Ref](https://doi.org/10.1016/j.commatsci.2018.01.037)) to evaluate the displacement gradient field associated with each dislocation segment. #### Usage ``` ./exadis_dispgrad_field config.data -NU 0.3 -a 1.0 -N 32 ``` #### Options * `-NU`, `--poisson_ratio `(required): Poisson ratio * `-a`, `--core_radius` (required): Dislocation core radius (b) * `-N`, `--ngrid` (optional): Grid resolution [N] to compute the stress field. Default: `32`. * `-Nxyz`, `--ngridxyz` (optional): Grid resolution [Nx,Ny,Nz] to compute the stress field. Default: none. * `-o`, `--output`" (optional): Output file name. Default: `stress.dat`. * `-Nimg`, `--nimages` (optional): Number of periodic images to compute the stress field. Default: `1`. * `-pbc`, `--pbc_flags` (optional): Periodic boundary conditions along the 3 directions. Default: `1 1 1`. * `-reg`, `--regularize_convergence` (optional): Apply regularization of the conditional convergence. Default: `1`.