ANASEN_analysis/eloss_calculations/Eloss.py
Vignesh Sitaraman aa960fd711 modified: eloss_calculations/Eloss.py
modified:   eloss_calculations/alpha_lookup_50MeV_250torr_3pc.dat
	modified:   eloss_calculations/alpha_lookup_50MeV_250torr_4pc.dat
	modified:   eloss_calculations/alpha_lookup_50MeV_350torr_3pc.dat
	modified:   eloss_calculations/alpha_lookup_50MeV_350torr_4pc.dat
	modified:   eloss_calculations/aluminum_lookup_80MeV_250torr_3pc.dat
	modified:   eloss_calculations/aluminum_lookup_80MeV_250torr_4pc.dat
	modified:   eloss_calculations/aluminum_lookup_80MeV_350torr_3pc.dat
	modified:   eloss_calculations/aluminum_lookup_80MeV_350torr_4pc.dat
	modified:   eloss_calculations/deutron_lookup_30MeV_250torr_3pc.dat
	modified:   eloss_calculations/deutron_lookup_30MeV_250torr_4pc.dat
	modified:   eloss_calculations/deutron_lookup_30MeV_350torr_3pc.dat
	modified:   eloss_calculations/deutron_lookup_30MeV_350torr_4pc.dat
	modified:   eloss_calculations/fluorine_lookup_70MeV_250torr_3pc.dat
	modified:   eloss_calculations/fluorine_lookup_70MeV_250torr_4pc.dat
	modified:   eloss_calculations/fluorine_lookup_70MeV_350torr_3pc.dat
	modified:   eloss_calculations/fluorine_lookup_70MeV_350torr_4pc.dat
	modified:   eloss_calculations/oxygen_lookup_70MeV_250torr_3pc.dat
	modified:   eloss_calculations/oxygen_lookup_70MeV_250torr_4pc.dat
	modified:   eloss_calculations/oxygen_lookup_70MeV_350torr_3pc.dat
	modified:   eloss_calculations/oxygen_lookup_70MeV_350torr_4pc.dat
	modified:   eloss_calculations/proton_lookup_30MeV_250torr_3pc.dat
	modified:   eloss_calculations/proton_lookup_30MeV_250torr_4pc.dat
	modified:   eloss_calculations/proton_lookup_30MeV_350torr_3pc.dat
	modified:   eloss_calculations/proton_lookup_30MeV_350torr_4pc.dat
2026-07-10 16:14:34 -04:00

96 lines
3.6 KiB
Python

import pycatima as catima
import numpy as np
# --- 1. Constants ---
P_TORR = 250
TEMP_K = 293.15
R = 8.3144
MEV2U = 1.0 / 931.494
P_CO2 = 4
# Gas Density Calculations
p_pa = P_TORR * 133.322
molar_density = p_pa / (R * TEMP_K)
m_he, m_c, m_o= 4.0026, 12.0000, 15.9949
m_mix_avg = ((1 - P_CO2 / 100) * m_he) + (P_CO2 / 100 * (m_c + 2*m_o))
rho_g_cm3 = (molar_density * m_mix_avg) / 1e6
print(f"Gas density at {P_TORR} Torr: {rho_g_cm3:.6e} g/cm^3")
# --- 2. Material & Step Setup ---
material_def = [(m_he, 2, (1 - P_CO2 / 100)), (m_c, 6, P_CO2 / 100), (m_o, 8, 2*P_CO2 / 100)]
gas_mix = catima.Material(material_def)
gas_mix.density(rho_g_cm3)
# Thickness step settings
step_mg_cm2 = 0.001 # 1 ug/cm2 steps as per your example -- kept fine for
# numerical accuracy of the dedx integration itself.
step_g_cm2 = step_mg_cm2 / 1000.0
max_steps = 1000000000 # Adjust based on how far you want to track
coarse_step_cm = 0.2 # row spacing over most of the track
fine_step_cm = 0.03 # row spacing near the Bragg peak
fine_zone_frac = 0.085 # fraction of the *total* range treated as "near the peak"
def generate_lookup(z, mass_u, e_start_mev, label):
filename = f"{label}_lookup_{e_start_mev}MeV_{P_TORR}torr_{P_CO2}pc.dat"
header = f"Energy(MeV) \tmg/cm2 \tcm\nStarting Energy: {e_start_mev} MeV"
# Pass 1: integrate at full precision just to find the total range (needed
# to know where the "last fine_zone_frac" of the track begins).
projectile = catima.Projectile(mass_u, z)
e_u = e_start_mev / mass_u
total_thickness_g_cm2 = 0.0
while e_u >= 0.0001:
projectile.T(e_u)
loss_mev = catima.dedx(projectile, gas_mix) * step_g_cm2
e_u = (e_u * mass_u - loss_mev) / mass_u
total_thickness_g_cm2 += step_g_cm2
total_range_cm = total_thickness_g_cm2 / rho_g_cm3
fine_zone_start_cm = total_range_cm * (1.0 - fine_zone_frac)
projectile = catima.Projectile(mass_u, z)
current_e_total = e_start_mev
current_thickness_g_cm2 = 0.0
next_checkpoint_cm = 0.0
output = []
last_dist_cm = None
def append_row(e_total, thickness_g_cm2, dist_cm):
if last_dist_cm is not None and dist_cm <= last_dist_cm:
return False
output.append([e_total, thickness_g_cm2 * 1000.0, dist_cm])
return True
for i in range(max_steps):
dist_cm = current_thickness_g_cm2 / rho_g_cm3
if dist_cm >= next_checkpoint_cm:
if append_row(current_e_total, current_thickness_g_cm2, dist_cm):
last_dist_cm = dist_cm
step_cm = fine_step_cm if dist_cm >= fine_zone_start_cm else coarse_step_cm
next_checkpoint_cm = dist_cm + step_cm
e_u = current_e_total / mass_u
if e_u < 0.0001: # Stop at ATIMA limit
append_row(current_e_total, current_thickness_g_cm2, dist_cm)
break
projectile.T(e_u)
# dedx returns MeV / (g/cm2)
loss_mev = catima.dedx(projectile, gas_mix) * step_g_cm2
current_e_total = max(0.0, current_e_total - loss_mev)
current_thickness_g_cm2 += step_g_cm2
np.savetxt(filename, output, fmt='%.6f', delimiter='\t', header=header)
print(f"Lookup table created: {filename} ({len(output)} rows, "
f"range {total_range_cm:.2f} cm, fine zone below {fine_zone_start_cm:.2f} cm)")
# --- 3. Run ---
# Format: generate_lookup(Z, mass_u, E_start_MeV, label)
generate_lookup(1, 1.0078, 30, "proton")
generate_lookup(1, 2.01355, 30, "deutron")
generate_lookup(2, 4.0026, 50, "alpha")
generate_lookup(13,26.9815, 80, "aluminum")
generate_lookup(9,17.0021, 70, "fluorine")
generate_lookup(8,15.9949, 70, "oxygen")