RadCluster
Graph-based cluster dynamics for irradiated materials
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Functions | Variables
py_utils.create_excel Namespace Reference

Functions

 build_df (rows, columns=('Parameter', 'Symbol', 'Value', 'Units', 'Notes'))
 
 write_excel ()
 

Variables

str OUTPUT_FILE = Path(__file__).parent / 'input' / 'input_parameters.xlsx'
 
list PRODUCTION
 
list ENERGETICS
 
list DIFFUSION
 
list DISSOCIATION
 
list REACTIONS
 

Detailed Description

create_excel.py — Generate input_parameters.xlsx for RadCluster_2_1.

Creates a 5-sheet workbook with exact bcc Fe / EUROFER97 parameters from:
  Ghoniem, N.M. (2026), "A Cluster Dynamics Model for Radiation Damage
  Evolution in Ferritic-Martensitic Steels" (Rate_Equations.pdf).

Sheet layout
------------
Production    — cascade production parameters (Tables 2, 5): fission vs. fusion
Energetics    — lattice, migration/formation energies, He EOS (Tables 5, 8)
Diffusion     — diffusion pre-factors, solute trapping (Tables 5, 16)
Dissociation  — binding energy parameters, trap mutation (Tables 18-19, 27)
Reactions     — rate constant prefactors, sink parameters, solver settings (Tables 25-26, 29)

Run from radcluster_code/:
    python create_excel.py

Overwrites input/input_parameters.xlsx.

Function Documentation

◆ build_df()

py_utils.create_excel.build_df (   rows,
  columns = ('Parameter', 'Symbol', 'Value', 'Units', 'Notes') 
)

Definition at line 309 of file create_excel.py.

◆ write_excel()

py_utils.create_excel.write_excel ( )

Definition at line 313 of file create_excel.py.

Variable Documentation

◆ DIFFUSION

list py_utils.create_excel.DIFFUSION

Definition at line 97 of file create_excel.py.

◆ DISSOCIATION

list py_utils.create_excel.DISSOCIATION

Definition at line 150 of file create_excel.py.

◆ ENERGETICS

list py_utils.create_excel.ENERGETICS

Definition at line 55 of file create_excel.py.

◆ OUTPUT_FILE

str py_utils.create_excel.OUTPUT_FILE = Path(__file__).parent / 'input' / 'input_parameters.xlsx'

Definition at line 26 of file create_excel.py.

◆ PRODUCTION

list py_utils.create_excel.PRODUCTION
Initial value:
1= [
2 # (Parameter, Symbol, Fission, Fusion, Units)
3 ('Survival and Dose Rate', None, None, None, None),
4 ('Survival efficiency (spectrum-avg.)', 'eta', 0.30, 0.28, '−'),
5 ('Displacement rate', 'phi_dot', 'user', 'user', 'dpa/s'),
6 ('He production rate', 'G_He/G', '0.5−1','~10', 'appm He/dpa'),
7
8 ('Interstitial Cluster Production', None, None, None, None),
9 ('SIA clustering fraction', 'f_cl_i', 0.58, 0.65, '−'), # Table 2
10 ('SIA power-law exponent', 's_i', 1.6, 1.5, '−'), # Table 2, Eq. 7
11 ('Max SIA cascade size', 'i_cascade', 20, 50, 'SIAs'), # Table 2
12 ('SIA normalization constant', 'C_i', 0.1093, 0.0553, '−'), # Eq. 9
13
14 ('Vacancy Cluster Production', None, None, None, None),
15 ('Vacancy clustering fraction', 'f_cl_v', 0.15, 0.20, '−'), # Table 2
16 ('Vacancy power-law exponent', 's_v', 2.5, 2.3, '−'), # Table 2, Eq. 8
17 ('Max vacancy cascade size', 'v_cascade', 10, 20, 'vacancies'), # Table 2
18 ('Vacancy normalization constant', 'C_v', 0.1506, 0.1296, '−'), # Eq. 10
19]

Definition at line 32 of file create_excel.py.

◆ REACTIONS

list py_utils.create_excel.REACTIONS

Definition at line 212 of file create_excel.py.