RadCluster
Graph-based cluster dynamics for irradiated materials
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Functions | Variables
zii_study Namespace Reference

Functions

 n_to_d_nm (n)
 
 run_one (name, Z_ii_val)
 

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
 
 I_SIM
 
 V_SIM
 
dict SOLVER_CONFIG
 
dict BASE
 
str out_dir = Path(__file__).parent / 'zii_study_output'
 
 exist_ok
 
list Z_ii_values = [1.0, 1.2, 1.5, 1.7, 2.0, 2.5, 3.0]
 
list results = []
 
 t0 = time.time()
 
str name = f'Zii_{zii:.1f}'
 
 flush
 
 t1 = time.time()
 
 r = run_one(name, zii)
 
 dt = time.time() - t1
 
str marker = ' *** GROWING ***' if r['ratio'] > 1.0 else ''
 
 total = time.time() - t0
 
 fig1
 
 ax1
 
 figsize
 
 dose = r['dose']
 
int mask = dose > 1e-8
 
 rat = r['flux_i'][mask] / np.maximum(r['flux_v'][mask], 1e-30)
 
 label
 
 linewidth
 
 y
 
 color
 
 ls
 
 lw
 
 fontsize
 
 True
 
 alpha
 
 dpi
 
 ax2a
 
 ax2b
 
 ns = np.arange(1, I_SIM + 1)
 
 d_nm = n_to_d_nm(ns)
 
 c_i = r['c_i']
 
int m = c_i > 1e5
 
 ax3a
 
 ax3b
 
list zvals = [r['Z_ii'] for r in results]
 
list ratios = [r['ratio'] for r in results]
 
list peaks = [r['sia_pk_d'] for r in results]
 
list means = [r['sia_mean_d'] for r in results]
 
 markersize
 
str status = 'GROWING' if r['ratio'] > 1.0 else 'shrinking'
 

Detailed Description

Z_ii sweep — the SIA-SIA coalescence bias factor.

Z_ii multiplies the full K_ii_coal rate (SIA absorption by SIA loops)
but does NOT affect vacancy absorption. This makes it the primary knob
for shifting the growth/shrink balance.

With corrected loop geometry (A_loop * n^{1/2}):
  growth_ratio = Z_ii * Z_i_loop * Di * c_i1 / (Dv * c_v1)

Baseline ratio ≈ 0.742 at Z_ii=1.2.  Need ratio > 1.0 for net growth.
Estimated crossover: Z_ii ≈ 1.6-1.7.

Function Documentation

◆ n_to_d_nm()

zii_study.n_to_d_nm (   n)

Definition at line 47 of file zii_study.py.

◆ run_one()

zii_study.run_one (   name,
  Z_ii_val 
)

Definition at line 73 of file zii_study.py.

Variable Documentation

◆ alpha

zii_study.alpha

Definition at line 224 of file zii_study.py.

◆ ax1

zii_study.ax1

Definition at line 213 of file zii_study.py.

◆ ax2a

zii_study.ax2a

Definition at line 231 of file zii_study.py.

◆ ax2b

zii_study.ax2b

Definition at line 231 of file zii_study.py.

◆ ax3a

zii_study.ax3a

Definition at line 253 of file zii_study.py.

◆ ax3b

zii_study.ax3b

Definition at line 253 of file zii_study.py.

◆ b_111

float zii_study.b_111 = 2.482e-10

Definition at line 46 of file zii_study.py.

◆ BASE

dict zii_study.BASE
Initial value:
1= {
2 'eta': 0.30, 'f_cl_i': 0.30, 'f_cl_v': 0.25,
3 'E_m_1D': 0.4, 'i_mobile': 10, 'L_hat': 71.8,
4 'c_C': 1.94e-4, 'E_b_C_SIA': 0.65,
5 'rho_d': 1e13, 'Z_i': 1.05,
6 'shape_function': 'linear',
7}

Definition at line 64 of file zii_study.py.

◆ c_i

zii_study.c_i = r['c_i']

Definition at line 235 of file zii_study.py.

◆ color

zii_study.color

Definition at line 219 of file zii_study.py.

◆ d_nm

zii_study.d_nm = n_to_d_nm(ns)

Definition at line 233 of file zii_study.py.

◆ dose

zii_study.dose = r['dose']

Definition at line 215 of file zii_study.py.

◆ dpi

zii_study.dpi

Definition at line 227 of file zii_study.py.

◆ dt

zii_study.dt = time.time() - t1

Definition at line 202 of file zii_study.py.

◆ exist_ok

zii_study.exist_ok

Definition at line 181 of file zii_study.py.

◆ fig1

zii_study.fig1

Definition at line 213 of file zii_study.py.

◆ figsize

zii_study.figsize

Definition at line 213 of file zii_study.py.

◆ flush

zii_study.flush

Definition at line 194 of file zii_study.py.

◆ fontsize

zii_study.fontsize

Definition at line 223 of file zii_study.py.

◆ I_SIM

zii_study.I_SIM

Definition at line 50 of file zii_study.py.

◆ label

zii_study.label

Definition at line 218 of file zii_study.py.

◆ linewidth

zii_study.linewidth

Definition at line 218 of file zii_study.py.

◆ ls

zii_study.ls

Definition at line 219 of file zii_study.py.

◆ lw

zii_study.lw

Definition at line 219 of file zii_study.py.

◆ m

int zii_study.m = c_i > 1e5

Definition at line 236 of file zii_study.py.

◆ marker

str zii_study.marker = ' *** GROWING ***' if r['ratio'] > 1.0 else ''

Definition at line 205 of file zii_study.py.

◆ markersize

zii_study.markersize

Definition at line 259 of file zii_study.py.

◆ mask

int zii_study.mask = dose > 1e-8

Definition at line 216 of file zii_study.py.

◆ means

list zii_study.means = [r['sia_mean_d'] for r in results]

Definition at line 257 of file zii_study.py.

◆ MODULE_ROOT

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

Definition at line 23 of file zii_study.py.

◆ name

str zii_study.name = f'Zii_{zii:.1f}'

Definition at line 193 of file zii_study.py.

◆ ns

zii_study.ns = np.arange(1, I_SIM + 1)

Definition at line 232 of file zii_study.py.

◆ Omega

float zii_study.Omega = 1.18e-29

Definition at line 45 of file zii_study.py.

◆ out_dir

str zii_study.out_dir = Path(__file__).parent / 'zii_study_output'

Definition at line 180 of file zii_study.py.

◆ peaks

list zii_study.peaks = [r['sia_pk_d'] for r in results]

Definition at line 256 of file zii_study.py.

◆ r

zii_study.r = run_one(name, zii)

Definition at line 197 of file zii_study.py.

◆ rat

zii_study.rat = r['flux_i'][mask] / np.maximum(r['flux_v'][mask], 1e-30)

Definition at line 217 of file zii_study.py.

◆ ratios

list zii_study.ratios = [r['ratio'] for r in results]

Definition at line 255 of file zii_study.py.

◆ REPO_ROOT

zii_study.REPO_ROOT = MODULE_ROOT.parent

Definition at line 24 of file zii_study.py.

◆ results

list zii_study.results = []

Definition at line 190 of file zii_study.py.

◆ SOLVER_CONFIG

dict zii_study.SOLVER_CONFIG
Initial value:
1= {
2 't_span': (1e-6, 1e5),
3 'n_points': 150,
4 'log_time': True,
5 'rtol': 1e-5,
6 'atol': 1e-20,
7 'solver_method': {
8 'linsol': 'gmres',
9 'window_width': 50,
10 'concentration_threshold': 1e-18, 'window_pad': 10,
11 }
12}

Definition at line 51 of file zii_study.py.

◆ status

str zii_study.status = 'GROWING' if r['ratio'] > 1.0 else 'shrinking'

Definition at line 287 of file zii_study.py.

◆ t0

zii_study.t0 = time.time()

Definition at line 191 of file zii_study.py.

◆ t1

zii_study.t1 = time.time()

Definition at line 195 of file zii_study.py.

◆ total

zii_study.total = time.time() - t0

Definition at line 209 of file zii_study.py.

◆ True

zii_study.True

Definition at line 224 of file zii_study.py.

◆ V_SIM

zii_study.V_SIM

Definition at line 50 of file zii_study.py.

◆ y

zii_study.y

Definition at line 219 of file zii_study.py.

◆ Z_ii_values

list zii_study.Z_ii_values = [1.0, 1.2, 1.5, 1.7, 2.0, 2.5, 3.0]

Definition at line 183 of file zii_study.py.

◆ zvals

list zii_study.zvals = [r['Z_ii'] for r in results]

Definition at line 254 of file zii_study.py.