Module “phase_transition”¶

class tc_python.property_model_definitions.phase_transition.PhaseTransition¶

Bases: object

Encapsulation class for the “Phase Transition” property model Arguments, ArgumentOptions, and Results.

ArgumentOptions¶: alias of PhaseTransition_ArgumentOptions

Arguments¶: alias of PhaseTransition_Arguments

Results¶: alias of PhaseTransition_Results

classmethod get_aliases() → list[str]¶: List of aliases for “Phase Transition” property model.

classmethod get_name() → str¶: String name of “Phase Transition” property model.

class tc_python.property_model_definitions.phase_transition.PhaseTransition_ArgumentOptions¶

Bases: object

Valid options for Phase Transition property model arguments which requires specific options to be entered.

CONDITION_TO_VARY¶: alias of PhaseTransition_ArgumentOptions_CONDITION_TO_VARY

SEARCH_DIRECTION¶: alias of PhaseTransition_ArgumentOptions_SEARCH_DIRECTION

class tc_python.property_model_definitions.phase_transition.PhaseTransition_ArgumentOptions_CONDITION_TO_VARY¶

Bases: ArgumentBase

Valid options for PhaseTransition_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.phase_transition.PhaseTransition_ArgumentOptions_SEARCH_DIRECTION¶

Bases: ArgumentBase

Valid options for PhaseTransitionArguments.SEARCH_DIRECTION.

NEGATIVE = 'NEGATIVE'¶: Search in the negative direction of the specified PhaseTransition_Arguments.CONDITION_TO_VARY.

POSITIVE = 'POSITIVE'¶: Search in the positive direction of the specified PhaseTransition_Arguments.CONDITION_TO_VARY.

POSITIVE_AND_NEGATIVE = 'POSITIVE_AND_NEGATIVE'¶: Search in positive direction first, then negative direction of the specified PhaseTransition_Arguments.CONDITION_TO_VARY.

class tc_python.property_model_definitions.phase_transition.PhaseTransition_Arguments¶

Bases: ArgumentBase

Valid entries for Phase Transition property model arguments.

COMPOSITION_CONDITION = 'Composition to vary'¶

Composition condition to vary/relax during the phase transition search.
Specify as a 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 PhaseTransition_Arguments.CONDITION_TO_VARY is set to PhaseTransition_ArgumentOptions_CONDITION_TO_VARY.COMPOSITION.

CONDITION_TO_VARY = 'conditions'¶

Condition to vary/relax during the phase transition search.

Argument options:: PhaseTransition_ArgumentOptions_CONDITION_TO_VARY
Default value:: PhaseTransition_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]

MATRIX_PHASE = 'matrixPhase'¶

Matrix phase required to be present in the initial equilibrium.
Specify argument value with string of valid phase name (i.e., “FCC_A1”).
If “ANY” is specified, the primary phase will be automatically selected.

Default value:: “ANY”

PHASE_TO_FORM = 'phaseToForm'¶

Phase expected to form at the transition.
Specify argument value with string of valid phase name (i.e., “FCC_A1”).
If “ANY” is specified, the primary phase will be automatically selected.

Default value:: “ANY”

SEARCH_DIRECTION = 'direction'¶

Direction to search when relaxing PhaseTransition_Arguments.CONDITION_TO_VARY.

Argument options:: PhaseTransition_ArgumentOptions_SEARCH_DIRECTION
Default value:: PhaseTransition_ArgumentOptions_SEARCH_DIRECTION.POSITIVE

SUSPEND_OTHER_PHASES = 'suspendOtherPhases'¶

Option to suspend phases other than PhaseTransition_Arguments.MATRIX_PHASE and PhaseTransition_Arguments.PHASE_TO_FORM from calculation.
If True, metastable equilibria may be calculated.

Argument options:: True, False
Default value:: True

class tc_python.property_model_definitions.phase_transition.PhaseTransition_Results¶

Bases: ArgumentBase

Valid entries for Phase Transition property model results.

RELAXED_CONDITION_T = 'resultQuantity'¶: Transition temperature [K] where the new phase forms.

RELAXED_CONDITION_X = 'resultQuantityComposition'¶: Transition composition (fraction) where the new phase forms.