Module “t_zero_temperature”

class tc_python.property_model_definitions.t_zero_temperature.TZeroTemperature

Bases: object

Encapsulation class for the “T-Zero Temperature” property model Arguments, ArgumentOptions, and Results.

ArgumentOptions

alias of TZeroTemperature_ArgumentOptions

Arguments

alias of TZeroTemperature_Arguments

Results

alias of TZeroTemperature_Results

classmethod get_aliases() → list[str]

List of aliases for “T-Zero Temperature” property model.

classmethod get_name() → str

String name of “T-Zero Temperature” property model.

class tc_python.property_model_definitions.t_zero_temperature.TZeroTemperature_ArgumentOptions

Bases: object

Valid options for T-Zero Temperature property model arguments which requires specific options to be entered.

CONDITION_TO_VARY

alias of TZeroTemperature_ArgumentOptions_CONDITION_TO_VARY

class tc_python.property_model_definitions.t_zero_temperature.TZeroTemperature_ArgumentOptions_CONDITION_TO_VARY

Bases: ArgumentBase

Valid options for TZeroTemperature_Arguments.CONDITION_TO_VARY.

COMPOSITION = 'X'

Vary Composition during phase transition search.

TEMPERATURE = 'T'

Vary Temperature during phase transition search.

class tc_python.property_model_definitions.t_zero_temperature.TZeroTemperature_Arguments

Bases: ArgumentBase

Valid entries for T-Zero Temperature property model arguments.

COMPOSITION_CONDITION = 'Composition to vary'

• Composition condition to vary/relax during the phase transition search.

• Valid options: Console mode command for the composition of a component entered in the system (e.g., “X(Fe)” or “W(Fe)”).

• This argument is used if TZeroTemperature_Arguments.CONDITION_TO_VARY is set to TZeroTemperature_ArgumentOptions_CONDITION_TO_VARY.COMPOSITION.

CONDITION_TO_VARY = 'varied_condition'

• Condition to vary during the T0 search (e.g., composition or temperature).

Argument options:

TZeroTemperature.ArgumentOptions.CONDITION_TO_VARY

Default value:

TZeroTemperature.ArgumentOptions.CONDITION_TO_VARY.TEMPERATURE

EVALUATION_TEMPERATURE = 'Evaluation temperature'

• Temperature at which the property evaluation occurs, corresponds to the measurement temperature.

• This argument can also be set with PropertyModelCalculation.set_temperature(PropertyModelQuantity.evaluation_temperature())

Default value:

1000.0 [K]

FIRST_PHASE = 'First phase list'

• First phase used to evaluate T0.

Default value:

“FCC_A1”

GIBBS_ADDITION_SECOND_PHASE = 'Phase addition'

• Gibbs energy shift for the second phase in units of [J/mol].

• This expression can be a function of temperature (T) and composition (w(el) or x(el)).

• E.g., 51.2+10*x(Cr)+5*x(Cr)^2

Default value:

0.0 [J/mol]

LOWER_CONDITION_LIMIT = 'lower_condition_limit'

• Lower limit for T0 search with manual limits.

• This argument is used if TZeroTemperature_Arguments.MANUAL_SEARCH_LIMITS is set to True.

Default value:

300.0 [K]

MANUAL_SEARCH_LIMITS = 'Manual search limits'

• Option to perform T0 search with manual condition limits.

• If False, search limits are set automatically.

Argument options:

True, False

Default value:

False

NUM_STEPS = 'Steps in grid when localizing roots'

• Number of steps to use when estimating the position(s) of root(s).

• This argument is used if TZeroTemperature_Arguments.MANUAL_SEARCH_LIMITS is set to True

Default value:

20

SECOND_PHASE = 'Second phase list'

• Second phase used to evaluate T0.

Default value:

“BCC_A2”

UPPER_CONDITION_LIMIT = 'upper_condition_limit'

• Upper limit for T0 search with manual limits.

• This argument is used if TZeroTemperature_Arguments.MANUAL_SEARCH_LIMITS is set to True.

Default value:

3000.0 [K]

class tc_python.property_model_definitions.t_zero_temperature.TZeroTemperature_Results

Bases: ArgumentBase

Valid entries for T-Zero Temperature property model results.

T_ZERO_TEMPERATURE = 'T-Zero temperature'

Primary T0 temperature in units of [K].

Note

The result quantity corresponding to this entry is only populated with data if TZeroTemperature.Arguments.CONDITION_TO_VARY is set to TZeroTemperature.ArgumentOptions.CONDITION_TO_VARY.TEMPERATURE.

T_ZERO_TEMPERATURE_2 = 'T-Zero temperature - 2nd solution'

Second T0 temperature (if present) in units of [K].

Note

The result quantity corresponding to this entry is only populated with data if TZeroTemperature.Arguments.CONDITION_TO_VARY is set to TZeroTemperature.ArgumentOptions.CONDITION_TO_VARY.TEMPERATURE.

VARIED_CONDITION_ROOT = 'Varied condition'

Root of the varied condition for T0.

Note

The result quantity corresponding to this entry is only populated with data if TZeroTemperature.Arguments.CONDITION_TO_VARY is set to TZeroTemperature.ArgumentOptions.CONDITION_TO_VARY.COMPOSITION.

VARIED_CONDITION_ROOT_2 = 'Varied condition - 2nd solution'

Second root (if present) of the varied condition.

Note

The result quantity corresponding to this entry is only populated with data if TZeroTemperature.Arguments.CONDITION_TO_VARY is set to TZeroTemperature.ArgumentOptions.CONDITION_TO_VARY.COMPOSITION.