Module “scheil”

class tc_python.property_model_definitions.scheil.Scheil

Bases: object

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

ArgumentOptions

alias of Scheil_ArgumentOptions

Arguments

alias of Scheil_Arguments

Results

alias of Scheil_Results

classmethod get_aliases() → list[str]

List of aliases for “Scheil” property model.

classmethod get_name() → str

String name of “Scheil” property model.

class tc_python.property_model_definitions.scheil.Scheil_ArgumentOptions

Bases: object

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

CALCULATE_TO

alias of Scheil_ArgumentOptions_CALCULATE_TO

SCHEIL_CALCULATION_TYPE

alias of Scheil_ArgumentOptions_SCHEIL_CALCULATION_TYPE

class tc_python.property_model_definitions.scheil.Scheil_ArgumentOptions_CALCULATE_TO

Bases: ArgumentBase

Valid options for Scheil_Arguments.CALCULATE_TO.

END_OF_SCHEIL = 'End of Scheil'

Evaluate results at the end of the Scheil simulation.

TEMPERATURE_BELOW_SOLIDUS = 'Temperature below solidus'

Evaluate results at a fixed temperature below solidus (frozen structure).

class tc_python.property_model_definitions.scheil.Scheil_ArgumentOptions_SCHEIL_CALCULATION_TYPE

Bases: ArgumentBase

Valid options for Scheil_Arguments.SCHEIL_CALCULATION_TYPE.

BACK_DIFFUSION = 'Back diffusion'

Scheil calculation considering back diffusion in primary phase.

CLASSIC = 'Classic'

Classic Scheil calculation.

SOLUTE_TRAPPING = 'Solute trapping'

Scheil considering solute trapping.

class tc_python.property_model_definitions.scheil.Scheil_Arguments

Bases: ArgumentBase

Valid entries for Scheil property model arguments.

ACCURACY = 'Required accuracy'

  • Required relative accuracy for equilibrium calculations.

  • Larger values normally converge quicker but provide less accuracy.

Default value:

1e-6

ADVANCED_SCHEIL_OPTIONS = 'Show advanced Scheil options'

  • Toggle visibility of advanced Scheil options.

Argument options:

True, False

Default value:

False

ALPHA = 'Alpha'
Default value:

45.0 [degrees]

APPROX_DRIVING_FORCE_METASTABLE = 'Approximate driving force for metastable phases'

  • If enabled, driving forces for metastable phases may be approximated in calculation iterations.

  • If disabled, the calculation is forced to converge for the metastable phases.

Argument options:

True, False

Default value:

True

CALCULATE_TO = 'Calculate to'

  • Options for which temperature to calculate to.

  • This is the evaluation temperature for:

    • Fraction of solid phases

    • Thermal conductivity, resistivity and diffusivity

    • Electrical conductivity and resistivity

Argument options:

Scheil_ArgumentOptions_CALCULATE_TO

Default value:

Scheil_ArgumentOptions_CALCULATE_TO.TEMPERATURE_BELOW_SOLIDUS

COOLING_RATE = 'Cooling rate [m/s]'
Default value:

1.0 [K/s]

DELTA_FERRITE_TO_AUSTENITE_BACK_DIFFUSION = 'Allow delta ferrite to austenite transition in steel'

  • Allow delta-ferrite to austenite transition for BACK_DIFFUSION Scheil calculation type.

Argument options:

True, False

Default value:

False

DELTA_FERRITE_TO_AUSTENITE_CLASSIC = 'Allow delta ferrite to austenite transition in steel'

  • Allow delta-ferrite to austenite transition for CLASSIC Scheil calculation type.

Argument options:

True, False

Default value:

False

END_TEMPERATURE = 'End temperature'

  • Specify the temperature below the solidus to which solid property result quantities are evaluated.

  • A frozen structure is assumed below the solidus temperature.

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

Default value:

298.15 [K]

FAST_DIFFUSERS_BACK_DIFFUSION = 'Fast diffusers back diffusion'

  • Fast diffusing elements for BACK_DIFFUSION Scheil calculation type.

  • Specify value(s) as a space-delimited string (i.e., with one space between each value).

Default value:

“C N”

FAST_DIFFUSERS_CLASSIC = 'Fast diffusers classic'

  • Fast diffusing elements for CLASSIC Scheil calculation type.

  • Specify value(s) as a space-delimited string (i.e., with one space between each value).

Default value:

“C N”

GLOBAL_TEST_INTERVAL = 'Global test interval'

  • Specify the interval for global equilibrium testing (i.e., perform global test every Nth step).

Default value:

10.0

LIQUID_PHASE = 'Liquid phase'

  • Phase treated as liquid in Scheil calculation.

Default value:

“LIQUID”

MAX_NUM_ITERATIONS = 'Max number of iterations'

  • Maximum number of iterations performed per equilibrium calculation.

Default value:

500.0

PRIMARY_PHASE_BACK_DIFFUSION = 'Primary phase back diffusion'
Default value:

“ANY”

PRIMARY_PHASE_SOLUTE_TRAPPING = 'Primary phase solute trapping'
Default value:

“ANY”

SCANNING_SPEED = 'Scanning speed'
Default value:

1.0 [m/s]

SCHEIL_CALCULATION_TYPE = 'Calculation type'

  • Select the calculation type to use for the Scheil calculation.

Argument options:

Scheil_ArgumentOptions_SCHEIL_CALCULATION_TYPE

Default value:

Scheil_ArgumentOptions_SCHEIL_CALCULATION_TYPE.CLASSIC

SDAS_C = 'Sec arm spacing c'
Default value:

5e-5 [m]

SDAS_N = 'Sec arm spacing n'
Default value:

0.33

SMALLEST_ALLOY_FRACTION = 'Smallest fraction for alloy composition'

  • Smallest value assigned to alloy mole/mass fraction in case the user gives a smaller input value for an element.

Default value:

1e-9

SMALLEST_FRACTION = 'Smallest fraction in equilibrium calculations'

  • Smallest fraction assigned to unstable constituents. It is normally only in the gas phase where such low fractions are found.

Default value:

1e-12

SOLID_FRACTION_FOR_LIQUIDUS = 'Solid fraction for liquidus evaluation'

  • Solid fraction threshold for evaluating the liquidus temperature.

Default value:

0.001

START_TEMPERATURE = 'Start temperature'

  • The start temperature for the Scheil simulation.

  • The value selected should be higher than the liquidus temperature of the specified composition.

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

Default value:

2500.15 [K]

TEMPERATURE_STEP = 'Temperature step during Scheil'

  • Temperature step for Scheil calculation.

Default value:

1.0 [K]

TERMINATE_AT_LIQUID_AMOUNT = 'Terminate at liquid amount'

  • Terminate Scheil simulation at fraction of liquid phase amount (i.e., consider the simulation completed).

Default value:

0.01

USE_GLOBAL_MINIMIZATION = 'Use global minimization'

  • Perform global minimization when calculating equilibrium.

Argument options:

True, False

Default value:

True

class tc_python.property_model_definitions.scheil.Scheil_Results

Bases: ArgumentBase

Valid entries for Scheil property model results.

ELECTRIC_CONDUCTIVITY = 'Electric conductivity (S/m)'

Electrical conductivity of the solid [S/m].

ELECTRIC_RESISTIVITY = 'Electric resistivity (ohm m)'

Electric resistivity [ohm-m].

EUTECTIC_FRACTION = 'Eutectic fraction'

Eutectic fraction at eutectic point (per Gibbs phase rule).

FREEZING_RANGE = 'Freezing range [K]'

Freezing range (Liquidus - Solidus) in Kelvin.

LIQUIDUS = 'Liquidus temperature'

Liquidus temperature [K].

MOLE_FRACTION_SOLID_PHASES = 'Mole fraction of solid phases'

Mole fraction of solid phases at evaluation temperature.

SOLIDUS = 'Solidus temperature'

Solidus temperature [K].

THERMAL_CONDUCTIVITY = 'Thermal conductivity (W/(mK))'

Thermal conductivity of the solid [W/(m-K)].

THERMAL_DIFFUSIVITY = 'Thermal diffusivity (m2/s)'

Thermal diffusivity of the solid [m^2/s].

THERMAL_RESISTIVITY = 'Thermal resistivity (mK/W)'

Thermal resistivity of the solid [(m-K)/W].

TOTAL_FRACTION_SOLID_PHASES = 'Final fraction of solid phases'

Total mole fraction of solid phases at evaluation temperature.

VOLUMETRIC_SHRINKAGE = 'Volumetric shrinkage (vol-%)'

Volumetric shrinkage percentage. A positive value indicates contraction.

VOLUME_FRACTION_SOLID_PHASES = 'Volume fraction of solid phases'

Volume fraction of solid phases at evaluation temperature.