Functions
	f111_experimental (material_filter="EUROFER")

	f111_model (T_C, t_end_s, overrides=None, I=60)

	main ()

Variables
	ROOT = Path(__file__).resolve().parents[2]

str	DB = ROOT / "input" / "Ferritics_Irradiated_Microstructure_Data.xlsx"

float	G_DPA = 1.0e-6

Detailed Description

calibrate_loop_conversion.py — Phase-6 calibration of the ½⟨111⟩→⟨100⟩
conversion against the experimental ½⟨111⟩-loop fraction f₁₁₁(T).

Strategy
--------
The crossover temperature T* (where ⟨100⟩ overtakes ½⟨111⟩) is the dominant
knob; the other five (E_a0, γ_a, φ_max, σ_s, n_j_min) are anchored by Marian /
Dudarev and held at their physics defaults.  We:

  1. load the experimental f₁₁₁(T) for EUROFER-97 (the target material) from
     the microstructure database via loop_burgers_fraction;
  2. run the C++ solver (conversion ON) over a temperature sweep for each
     candidate T*, extracting the modeled f₁₁₁ = S_I^{111} / (S_I^{111}+S_I^{100})
     at a fixed dose;
  3. pick the T* minimising the squared error to the experimental points;
  4. write a model-vs-experiment plot and report the calibrated T*.

This is intentionally a 1-D calibration of the dominant knob: the data are
scattered across materials/ion-vs-neutron, so fitting all six knobs would
overfit.  Run cost is a few dozen short solver runs.

Usage:
  python codes/Python_Testing/calibrate_loop_conversion.py [--quick]

Function Documentation

◆ f111_experimental()

calibrate_loop_conversion.f111_experimental ( material_filter = "EUROFER" )

Return (T_C, f111) experimental points for the target material.

Definition at line 45 of file calibrate_loop_conversion.py.

◆ f111_model()

calibrate_loop_conversion.f111_model	(	T_C,
		t_end_s,
		overrides = `None`,
		I = `60`
	)

Run the solver at temperature T_C to t_end_s; return modeled f₁₁₁.

Definition at line 54 of file calibrate_loop_conversion.py.

◆ main()

calibrate_loop_conversion.main ( )

Definition at line 82 of file calibrate_loop_conversion.py.

Variable Documentation

◆ DB

str calibrate_loop_conversion.DB = ROOT / "input" / "Ferritics_Irradiated_Microstructure_Data.xlsx"

Definition at line 40 of file calibrate_loop_conversion.py.

◆ G_DPA

float calibrate_loop_conversion.G_DPA = 1.0e-6

Definition at line 41 of file calibrate_loop_conversion.py.

◆ ROOT

calibrate_loop_conversion.ROOT = Path(__file__).resolve().parents[2]

Definition at line 33 of file calibrate_loop_conversion.py.

Functions

Variables