12.3. Problem Setup

The basic steps for setting up a flow simulation involving FIC features are as follows.

  1. Create a sub-task for crystallization flow simulation (isothermal or nonisothermal)

      Create a sub-task

    1. Select the appropriate problem type.

        Isothermal crystallization

      or

        Non-isothermal crystallization

    2. When prompted, specify a name for the sub-task.

  2. Specify the region where the sub-task applies.

      Domain of the sub-task

  3. Define the material properties.

      Material data

    1. Select appropriate choices, which are independent of the crystallization.

      • For isothermal and nonisothermal FIC simulations, select the relevant menu item:

          Density

          Inertia terms

          Gravity

      • For nonisothermal FIC simulations, select the relevant menu item:

          Thermal conductivity including the scaling temperature t0 ().

          Viscous (+ Wall friction) heating

          Average temperature used for initializing the temperature field.

          Heat source per unit volume

    2. Specify data for the crystallization mechanism:

        Mat. Data for crystallization

      1. For either isothermal or nonisothermal FIC simulation cases, successively, select the following:

          G0 Shear modulus (G)

          Visc Newtonian viscosity ()

          relax_a relaxation time (amorphous) ()

          relax_r inverse of Avrami constant ()

          alpha mobility factor ()

          N0 nber of statistical links ()

          F growth factor for relax_sc (F)

          c ratio of relax_sc to relax_a (c)

          sigma anisotropic drag parameter ()

          xsi model parameter for FIC ()

          m Avrami constant (m)

          Rmax maximum degree of transformation ()

      2. For nonisothermal FIC simulations, specify a few additional data:

        • For specifying the temperature dependence of , select:

            Temperature dependence for relax_a

          Select the appropriate temperature dependence, Arrhenius approximate law, or Arrhenius law. Arrhenius law is recommended with the corresponding parameters alfa (), talfa () and t0 ().

        • For specifying the temperature dependence of , select:

            Temperature dependence for relax_r

          and enter the parameters for the Gaussian function, Tbeta () and beta (). Also specify the possible evolution function on factor f. This parameter factor should be negative and must not be smaller than -1.

        • For specifying the maximum degree of crystallinity (), select:

            phi degree of crystallinity

          Enter the numerical value of phi ().

        • For specifying the heat of fusion , select:

            Hf heat of fusion

          Enter the numerical value of Hf ().

        • For specifying the heat capacity , select:

            Heat capacity

          • Enter the numerical value of Cpa0 to Cpa3 ( to ) for the amorphous phase.

          • Enter the numerical value of Cpsc0 to Cpsc3 ( to ) for the semicrystalline phase.

          • Enter the value for the scaling temperature t0 ().

  4. Define the flow boundary conditions.

      Flow boundary conditions

    Boundary conditions are required for the unknowns , , and x, obeying partial differential equations of the first order. For a steady-state flow, boundary conditions must be assigned at the inlet of the calculation domain. This is automatically done when selecting inflow boundary conditions at the inlet. For information see Boundary Conditions.

  5. For nonisothermal flows, define the temperature boundary conditions.

      Thermal boundary conditions

    Thermal boundary conditions can be given in terms of temperature or heat flux (possibly vanishing). At least one boundary condition must be given in terms of temperature for a steady-state flow. For details refer to step 5 in Using the Model.

  6. Modify the interpolation scheme used for the stresses (optional).

      Interpolation

    For details see Selecting the Interpolation. In the present context of isothermal or nonisothermal FIC simulations, quadratic interpolation is selected by default for and .

    DEVSS scheme, with or without streamline upwinding method, can be selected in combination with a linear interpolation for the tensorial unknowns and .