ENTER_MOBILITY_DATA
Use this command to enter previously non-existing mobility parameters. If there is already a function is defined for the same parameter, it is deleted.
You can also use:
- ENTER_ENHANCEMENT_FACTOR to enter a factor by which element mobilities are multiplied with.
- ENTER_MOBILITY_ESTIMATE to enter a rough mobility estimate for elements in specific phases. This can be useful for phases where there is no data in the database.
A valid parameter should have the general form of:
<Identifier> ( <Phase name> , <Component array> ; <Digit> )
The identifier must be followed by an opening parenthesis, a phase name, a comma and a component array. Optionally, the component array can be followed by a semicolon and a digit. The parameter name is terminated by a closing parenthesis.
These identifiers are legal:
MQ(activation energy for mobility)MF(frequency factor for mobility)DQ(activation energy for diffusivity)DF(frequency factor for diffusivity)OQ(activation energy for mobility, ordered part)OF(frequency factor for mobility, ordered part).
The phase name must be followed by an & and directly following that the name of the diffusing species.
The component array consists of a list of constituent names. Interaction parameters have two or more constituents separated by a comma. If the phase has sublattices at least one constituent in each sublattice must be specified. The constituents in different sublattices must be given in sublattice order and are separated by a colon.
After the component array a subindex digit can be specified after a semicolon. This digit must be in the range 0 to 9. The interpretation of the subindex depends on the excess model used for the phase. If no semicolon and digit is given the subindex value is assumed to be zero.
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Syntax |
enter_mobility_data |
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Prompt |
Parameter: <Parameter name> As explained above, specify a correct and complete parameter name, which should contain all the necessary parts of the general form: <Identifier>(<Phase>,<Component array>;<Digit>) If a parameter name is not acceptable or <Enter>, is pressed, the error message displays: *** Error, please re-enter each part separately  Examples
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Identifier /MQ/ <MQ, MF, DQ, Df, OQ, OF> If this command is used one or more times, the previous value on this prompt is set as default. Press <Enter> for the same type identifier or specify a new type. |
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Phase name /FCC&C/ Each parameter is valid for a specific phase. The name of that phase must be supplied. The name must not be abbreviated. The phase name must be followed by an '&' and directly following that, the name of the diffusion species. |