ENTER_COMPOSITIONS

Enter the composition into the phases in a region.

The Diffusion Module (DICTRA) in Graphical Mode uses a Diffusion Calculator instead of the Console Mode commands. Most of the Console Mode functionality is available on the Diffusion Calculator. However, you cannot use both Graphical Mode and Console Mode in the same simulation.

Syntax	enter_compositions
Prompts	Region name Name of the region into which the compositions are to be entered.
	Phase name Name of the phase in a region into which the compositions are to be entered.
	Use equilibrium value This is only for spheroid phases in simulations with dispersed phases. If this option is used the program automatically calculates the equilibrium fractions of the spheroid phase and its constitution at the start of the simulation.
	Dependent substitutional species A dependent substitutional species is required in order to be able to determine which species are independent. The program only queries for the compositions of the independent species. Sometimes the dependent species is chosen by the program and thus this question is never given. This may be due to stoichiometric constraints or to the fact that it has been set already in the kinetics database due to the model selected for the diffusion.
	Dependent interstitial species A dependent interstitial species is required in order to be able to determine which species are independent. The program only queries for the compositions of the independent species. Vacancies are always regarded as dependent and therefore if vacancies are present in the phase then this question is never given.
	Composition type Type of composition used for the constitution of the phase. Options are: SITE_FRACTION, MOLE_FRACTION, MOLE_PERCENT, WEIGHT_FRACTION, WEIGHT_PERCENT and U_FRACTION.
	Type Type of composition profile to be entered, options are: LINEAR, READ_POINT_BY_POINT, FUNCTION, and GEOMETRIC. If READ_POINT_BY_POINT is chosen note the following. When compositions are read from a file it may often be the case that both grid coordinates and the composition at the grid points are given on the same line, e.g. the grid coordinates in the first column, the mole fraction of the first element at that grid point in the second column and so on. The column that contain the composition of a given element can then be specified in a macro file by, for example, having a line "read_point_by_point foo.dat 2". The "2" mean that the grid coordinates are in the 2nd column in the file foo.dat. In a corresponding manner the column that contain the grid point coordinates can be specified (see ENTER_GRID_COORDINATES). If FUNCTION is chosen the composition profile can be given as a function of the global distance denoted X. Some useful functions are the error function denoted `erf(X)` and the Heaviside step-function denoted `hs(X)`. For example the function `3+2hs(x-1e-4)` provides a concentration of 3 at the left side and 5 at the right side with a sharp step in the concentration profile at 1e-4m=100mm.
	Value of first point Composition in the first gridpoint. Values in between are interpolated linearly if a LINEAR type of profile is specified.
	Value of last point Composition for the last gridpoint. Values in between are interpolated linearly if a LINEAR type of profile is specified.
	Input file The input source from which to read the points when entering values point by point, default is TERMINAL.
	Value of point The value of the point when entering values point by point.
	Value of R in the geometrical serie Use the same geometrical factor as for the geometrical grid.
	Volume fraction of Initial volume fraction of a spheroid phase.