22  Physics Models Used in the Particle Matter Interaction Model

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The chapter below describes the legacy OPAL particle-matter interaction module. It is not currently mirrored as a like-for-like user interface in OPALX.

Particle-matter interactions are defined through PARTICLEMATTERINTERACTION.

22.1 Command Overview

The core attributes are:

Attribute Meaning
TYPE Interaction handler: SCATTERING or BEAMSTRIPPING
MATERIAL Surface or medium material
ENABLERUTHERFORD Enable or disable large-angle Rutherford scattering
LOWENERGYTHR Low-energy cutoff in MeV; particles below this are removed

The resulting interaction model is then attached to beamline elements that represent material boundaries or residual-gas regions.

22.2 The Energy Loss

The mean ionization energy loss is modeled with the Bethe-Bloch equation,

\[ -\frac{dE}{dx} = \frac{K z^2 Z}{A \beta^2} \left[ \frac{1}{2}\ln\left(\frac{2 m_e c^2 \beta^2 \gamma^2 T_{\max}}{I^2}\right) - \beta^2 \right], \tag{22.1}\]

where Z, A, I, beta, gamma, and Tmax have their usual stopping power meaning and

\[ T_{\max} = \frac{2 m_e c^2 \beta^2 \gamma^2} {1 + 2 \gamma m_e/M + (m_e/M)^2}. \tag{22.2}\]

The manual states that this form is used for incident PROTON, DEUTERON, MUON, HMINUS, and H2P beams over the documented energy ranges, and also for ALPHA particles in their supported range.

Figure 22.1: Comparison of stopping power with the PSTAR reference.

At low energy the stopping power is switched to Andersen-Ziegler-style semi-empirical fits. The implementation also models energy straggling with a Gaussian width

\[ \sigma_0^2 = 4 \pi N_A r_e^2 (m_e c^2)^2 \rho \frac{Z}{A} \Delta s. \tag{22.3}\]

Particles whose remaining energy drops below LOWENERGYTHR are removed and written to the corresponding loss file.

22.3 The Coulomb Scattering

The Coulomb-scattering model is split into:

  • multiple Coulomb scattering
  • large-angle Rutherford scattering

The distributions are written in the legacy manual as

\[ P_M(\alpha)\, d\alpha = \frac{1}{\sqrt{\pi}} e^{-\alpha^2}\, d\alpha \tag{22.4}\]

and

\[ P_S(\alpha)\, d\alpha = \frac{1}{8 \ln(204 Z^{-1/3})} \frac{1}{\alpha^3}\, d\alpha, \tag{22.5}\]

with transition scale

\[ \theta_0 = \frac{13.6\,\mathrm{MeV}}{\beta c p}\, z \sqrt{\Delta s / X_0}\, [1 + 0.038 \ln(\Delta s / X_0)]. \tag{22.6}\]

22.3.1 Multiple Coulomb Scattering

For the multiple-scattering branch, independent Gaussian random variables are used to update both transverse coordinates and transverse momenta over the substep. The model gives the cumulative small-angle deflection caused by many soft collisions in the material.

22.3.2 Large Angle Rutherford Scattering

The rare large-angle tail is handled separately as a Rutherford-scattering process. The legacy implementation samples this branch probabilistically and then draws the corresponding scattering angle from the cumulative distribution.

Figure 22.2: Comparison of the Coulomb-scattering angular distribution with the Jackson reference model.

22.4 Beam Stripping Physics

Beam stripping covers:

  • interaction with residual gas
  • electromagnetic or Lorentz stripping

The common stochastic model assumes a mean free path lambda and interaction probability

\[ P(x) = 1 - e^{-x/\lambda}. \tag{22.7}\]

Figure 22.3: BeamStrippingPhysics flow diagram from the original manual.

22.4.1 Residual Gas Interaction

For a gas mixture, the total inverse mean free path is the sum of the component-wise contributions. The implementation supports charge-exchange and electron-detachment or capture reactions for the incoming species documented in the legacy manual:

  • HMINUS
  • PROTON
  • HYDROGEN
  • H2P
  • DEUTERON

The cross sections are fitted from experimental data with different families of analytic expressions depending on projectile and target:

  • Nakai function
  • Tabata function
  • Barnett function
  • Bohr function

22.4.2 Electromagnetic Stripping

For HMINUS, the model also accounts for magnetic-field-induced dissociation. The transverse magnetic field from the cyclotron map produces a rest-frame electric field through

\[ E = \gamma \beta c B. \tag{22.8}\]

The stripping fraction during a time step dt is then

\[ f_{\mathrm{em}} = 1 - e^{-dt / (\gamma \tau)}. \tag{22.9}\]

The manual explicitly restricts this electromagnetic stripping path to OPAL-cycl.

22.5 The ScatteringPhysics Substeps

The implementation uses internal substeps when the main tracking step is too large for accurate material-interaction physics. In the legacy code path, ScatteringPhysics.cpp subdivides the step so that the material-interaction substep stays below the documented threshold. Particles already inside the element and particles entering the element are then advanced consistently over the same physical time interval.

Figure 22.4: ScatteringPhysics flow diagram.
Figure 22.5: ScatteringPhysics flow diagram, continued.

22.6 Available Materials in OPAL

The material database includes the standard beamline materials listed in the legacy manual, among them:

  • Air
  • Aluminum
  • AluminaAl2O3
  • Beryllium
  • BoronCarbide
  • Copper
  • Gold
  • Graphite
  • GraphiteR6710
  • Kapton
  • Molybdenum
  • Mylar
  • Titanium
  • Water

For each material the original manual provides:

  • atomic number Z
  • atomic weight A
  • mass density rho
  • radiation length X0
  • mean excitation energy I
  • Andersen-Ziegler low-energy fit coefficients

22.6.1 Material properties

Material Z A rho [g/cm^3] X0 [g/cm^2] I [eV]
Air 7 14 1.205e-3 36.62 85.7
Aluminum 13 26.9815384 2.699 24.01 166.0
AluminaAl2O3 50 101.9600768 3.97 27.94 145.2
Beryllium 4 9.0121831 1.848 65.19 63.7
BoronCarbide 26 55.251 2.52 50.13 84.7
Copper 29 63.546 8.96 12.86 322.0
Gold 79 196.966570 19.32 6.46 790.0
Graphite 6 12.0172 2.210 42.7 78.0
GraphiteR6710 6 12.0172 1.88 42.7 78.0
Kapton 6 12 1.420 40.58 79.6
Molybdenum 42 95.95 10.22 9.80 424.0
Mylar 6.702 12.88 1.400 39.95 78.7
Titanium 22 47.867 4.540 16.16 233.0
Water 10 18.0152 1.0 36.08 75.0

22.6.2 Andersen-Ziegler coefficients

Material A1 A2 A3 A4 A5 B1 B2 B3 B4 B5
Air 2.954 3.350 1.683e3 1.900e3 2.513e-2 1.9259 0.5550 27.15125 26.0665 6.2768
Aluminum 4.154 4.739 2.766e3 1.645e2 2.023e-2 2.5 0.625 45.7 0.1 4.359
AluminaAl2O3 1.187e1 1.343e1 1.069e4 7.723e2 2.153e-2 5.4 0.53 103.1 3.931 7.767
Beryllium 2.248 2.590 9.660e2 1.538e2 3.475e-2 2.1895 0.47183 7.2362 134.30 197.96
BoronCarbide 3.519 3.963 6065.0 1243.0 7.782e-3 5.013 0.4707 85.8 16.55 3.211
Copper 3.969 4.194 4.649e3 8.113e1 2.242e-2 3.114 0.5236 76.67 7.62 6.385
Gold 4.844 5.458 7.852e3 9.758e2 2.077e-2 3.223 0.5883 232.7 2.954 1.05
Graphite 0.0 2.601 1.701e3 1.279e3 1.638e-2 3.80133 0.41590 12.9966 117.83 242.28
GraphiteR6710 0.0 2.601 1.701e3 1.279e3 1.638e-2 3.80133 0.41590 12.9966 117.83 242.28
Kapton 0.0 2.601 1.701e3 1.279e3 1.638e-2 3.83523 0.42993 12.6125 227.41 188.97
Molybdenum 6.424 7.248 9.545e3 4.802e2 5.376e-3 9.276 0.418 157.1 8.038 1.29
Mylar 2.954 3.350 1683 1900 2.513e-2 1.9259 0.5550 27.15125 26.0665 6.2768
Titanium 4.858 5.489 5.260e3 6.511e2 8.930e-3 4.71 0.5087 65.28 8.806 5.948
Water 4.015 4.542 3.955e3 4.847e2 7.904e-3 2.9590 0.53255 34.247 60.655 15.153

22.7 Example of an Input File

The original manual points to particlematterinteraction.in as the reference input deck. It combines material elements with collimator-style aperture settings and a particle-matter interaction definition.

22.8 A Simple Test

The documented benchmark uses a cold Gaussian beam passing through a copper slit or elliptic collimator and compares both absorbed and scattered populations as well as the downstream energy and angular spectra.

Figure 22.6: Passage of protons through the collimator.
Figure 22.7: Energy spectrum and scattering angle after the elliptic collimator.