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) 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) 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.