Functions
	n_to_diameter_nm (n)

	diameter_nm_to_n (d_nm)

	run_single (name, overrides, I=I_SWEEP, V=V_SWEEP)

Variables
	MODULE_ROOT = Path(__file__).resolve().parent.parent.parent

	REPO_ROOT = MODULE_ROOT.parent

float	Omega = 1.18e-29

float	b_111 = 2.482e-10

int	I_SWEEP = 3000

int	V_SWEEP = 3000

dict	SOLVER_CONFIG

dict	BASE_PARAMS

dict	RUNS

list	all_results = []

	t0_total = time.time()

	flush

	t0 = time.time()

	res = run_single(name, overrides)

	elapsed = time.time() - t0

float	in_target = 5.0

str	marker = ' * IN TARGET *' if in_target else ''

	total_time = time.time() - t0_total

float	target_d = 3.5

	key

str	in_t = 5.0 else 'no'

list	best = all_results[0]

dict	base_v = BASE_PARAMS.get(k)

str	out_path = Path(__file__).parent / 'param_sweep_results.json'

list	serializable = []

	sr = dict(r)

	f

	indent

Detailed Description

Parameter sweep for RadCluster_2_1
========================================
Objective: find input parameter sets that produce SIA loop size distribution
peak at 2-5 nm diameter by 0.1 dpa.

Diameter formula:  d_nm = 2 * sqrt(n * Omega / (pi * b_111)) * 1e9
  -> d=2 nm => n ~ 66,  d=5 nm => n ~ 413,  d=3 nm => n ~ 149

Strategy: vary the most influential parameters within physical ranges,
run the C++ active_window solver, extract the SIA peak location at
the time step closest to 0.1 dpa.

Function Documentation

◆ diameter_nm_to_n()

param_sweep.diameter_nm_to_n ( d_nm )

Loop diameter in nm -> SIA cluster size n.

Definition at line 51 of file param_sweep.py.

◆ n_to_diameter_nm()

param_sweep.n_to_diameter_nm ( n )

SIA cluster size -> loop diameter in nm.

Definition at line 47 of file param_sweep.py.

◆ run_single()

param_sweep.run_single	(	name,
		overrides,
		I = `I_SWEEP`,
		V = `V_SWEEP`
	)

Run one simulation and return the SIA peak info at ~0.1 dpa.

Definition at line 138 of file param_sweep.py.

Variable Documentation

◆ all_results

list param_sweep.all_results = []

Definition at line 288 of file param_sweep.py.

◆ b_111

float param_sweep.b_111 = 2.482e-10

Definition at line 45 of file param_sweep.py.

◆ BASE_PARAMS

dict param_sweep.BASE_PARAMS

Initial value:

=  {
    'eta':       0.3,
    'f_cl_i':    0.3,
    'f_cl_v':    0.25,
    'E_m_1D':    0.4,
    'i_mobile':  10,
    'L_hat':     71.8,
    'c_C':       1.94e-4,
    'E_b_C_SIA': 0.65,
    'rho_d':     1e13,
    'Z_i':       1.05,
    'Z_ii':      1.2,
    'shape_function': 'linear',
}

Definition at line 77 of file param_sweep.py.

◆ base_v

dict param_sweep.base_v = BASE_PARAMS.get(k)

Definition at line 352 of file param_sweep.py.

◆ best

list param_sweep.best = all_results[0]

Definition at line 341 of file param_sweep.py.

◆ elapsed

param_sweep.elapsed = time.time() - t0

Definition at line 305 of file param_sweep.py.

◆ f

param_sweep.f

Definition at line 381 of file param_sweep.py.

◆ flush

param_sweep.flush

Definition at line 292 of file param_sweep.py.

◆ I_SWEEP

int param_sweep.I_SWEEP = 3000

Definition at line 59 of file param_sweep.py.

◆ in_t

str param_sweep.in_t = 5.0 else 'no'

Definition at line 333 of file param_sweep.py.

◆ in_target

float param_sweep.in_target = 5.0

Definition at line 309 of file param_sweep.py.

◆ indent

param_sweep.indent

Definition at line 381 of file param_sweep.py.

◆ key

param_sweep.key

Definition at line 327 of file param_sweep.py.

◆ marker

str param_sweep.marker = ' *** IN TARGET ***' if in_target else ''

Definition at line 310 of file param_sweep.py.

◆ MODULE_ROOT

param_sweep.MODULE_ROOT = Path(__file__).resolve().parent.parent.parent

Definition at line 21 of file param_sweep.py.

◆ Omega

float param_sweep.Omega = 1.18e-29

Definition at line 44 of file param_sweep.py.

◆ out_path

str param_sweep.out_path = Path(__file__).parent / 'param_sweep_results.json'

Definition at line 364 of file param_sweep.py.

◆ REPO_ROOT

param_sweep.REPO_ROOT = MODULE_ROOT.parent

Definition at line 22 of file param_sweep.py.

◆ res

param_sweep.res = run_single(name, overrides)

Definition at line 301 of file param_sweep.py.

◆ RUNS

dict param_sweep.RUNS

Definition at line 102 of file param_sweep.py.

◆ serializable

param_sweep.serializable = []

Definition at line 365 of file param_sweep.py.

◆ SOLVER_CONFIG

dict param_sweep.SOLVER_CONFIG

Initial value:

=  {
    't_span':   (1e-6, 1e5),   # reach 0.1 dpa
    'n_points': 100,           # fewer points for speed
    'log_time': True,
    'rtol':     1e-5,          # slightly relaxed for speed
    'atol':     1e-20,
    'solver_method': {
        'linsol':            'gmres',
        'window_width':      50,
        'concentration_threshold': 1e-18,
        'window_pad':              10,
    }
}

Definition at line 62 of file param_sweep.py.

◆ sr

param_sweep.sr = dict(r)

Definition at line 367 of file param_sweep.py.

◆ t0

param_sweep.t0 = time.time()

Definition at line 299 of file param_sweep.py.

◆ t0_total

param_sweep.t0_total = time.time()

Definition at line 289 of file param_sweep.py.

◆ target_d

float param_sweep.target_d = 3.5

Definition at line 326 of file param_sweep.py.

◆ total_time

param_sweep.total_time = time.time() - t0_total

Definition at line 320 of file param_sweep.py.

◆ V_SWEEP

int param_sweep.V_SWEEP = 3000

Definition at line 60 of file param_sweep.py.

Functions

Variables