EVALUATE_SEGREGATION_PROFILE

This command is for the SCHEIL module.

This feature is not supported with fast diffusers.

Enable this feature before executing the START_WIZARD command.

Use this command in order to evaluate a segregation profile while performing the Scheil calculation. The Scheil calculation itself does not contain a spatial dimension. However, if it is assumed that the molar volume is constant and equal for all elements, and if a length is provided over which solidification occurs (for example the secondary dendrite arm spacing) then the generated profile corresponds to the segregation that would be obtained under the assumptions of a Scheil calculation. The grid is then equidistant and can be used as input for a DICTRA simulation.

The generated text file contains, on each line, the mole fractions of all elements in alphabetical order at a certain grid point. If the composition is the same on several consecutive lines it means that the composition of the then remaining liquid has reached a state in which there are no degrees of freedom.

Syntax	evaluate_segration_profile
Prompt	Evaluate segregation profile? /N/ If the answer is Y, a segregation profile will be evaluated and saved to disc. This feature is not supported with fast diffusers. You cannot select fast diffusers if evaluation of the segregation profile is enabled.
	Number of grid points /100/ Enter the number of grid points for the segregation profile. An xf.txt file dialogue window opens and allows you to specify the name of the file in which the segregation profile is written. About the xf.txt File The file is started with this command, and available after the Scheil simulation is finished. The XF.txt file contains one line per grid point entered here. In a macro file it is possible to enter all arguments on a single line, e.g. EVALUATE_SEGREGATION_PROFILE Y 100 XF.TXT, meaning that the segregation profile is evaluated over 100 grid points and saved to a file (XF.TXT) in the current working directory. The grid coordinate (actually fraction solid, but used later as distance) is not recorded in the XF.txt file. The file contains one column per element, listing the mole-fraction of each in alphabetical order, including the dependent element. As I understand it, it is the total concentration of each element in each point at the end point of the Scheil simulation. The XF.txt is then used with INPUT_SCHEIL_PROFILE command in the DICTRA module. Remember to use the same number of grid points in the DICTRA region as in this file.