Geant4 Physics Validation
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- Lydia Hubbard
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1 Pablo Cirrone Giacomo Cuttone Francesco Di Rosa Susanna Guatelli Alfonso Mantero Barbara Mascialino Luciano Pandola Andreas Pfeiffer MG Pia Pedro Rodrigues Giorgio Russo Andreia Trindade Valentina Zampichelli Geant4 Physics Validation M.G. Pia On behalf of the LowE EM and Advanced Examples Working Groups Geant4 Space User Workshop Pasadena, 6-10 November 2006
2 Geant4 Toolkit Wide set of physics processes and models Versatility of configuration according to use cases How accurate is Geant4 physics modelling? Which is the most appropriate model for my simulation? Provide objective criteria to evaluate Geant4 physics models Document their precision against experimental data Test all Geant4 physics models systematically Quantitative tests with rigorous statistical methods
3 Verification and Validation of Geant4 physics Verification = compliance of the software results with the specifications (the underlying physics model) Unit tests (at the level of individual Geant4 classes) Validation = comparison against experimental data Quantitative estimate of the agreement between Geant4 simulation and reference data through statistical methods (Goodness-of-Fit) A systematic, systematic quantitative validation of Geant4 physics models against reference experimental data is essential to establish the reliability of Geant4-based applications
4 K. Amako et al., Comparison of Geant4 electromagnetic physics models against the NIST reference data IEEE Trans. Nucl. Sci., Vol. 52, Issue 4, Aug. 2005, pp Strategy Rigorous methods Systematic, quantitative comparisons Address all modeling options Statistical analysis of compatibility with experimental data Adopt the same method also for hadronic physics validation Start from the bottom (low energy) Progress towards higher energy based on previous sound assessments Guidance to users based on objective ground not only educated-guess PhysicsLists Statistical Toolkit Quantitatitative comparison Goodness-of-Fit test of experimental - simulated distributions
5 Statistical Toolkit Launched as an ESA project IEEE Trans. Nucl. Sci., December nd development cycle Released April 2006 Goodness-of-fit tests Binned distributions Unbinned distributions Performance analysis Power analysis 25 July The most complete software tool for 2-sample GoF tests
6 Recent validation activities Atomic relaxation Fluorescence and Auger transition energies Bremsstrahlung Angular distributions Proton Bragg peak Electromagnetic interactions Elastic scattering Pre-equilibrium Nuclear de-excitation + other validation activities in Advanced Examples More details: see talks at IEEE NSS 2006
7 Geant4 Atomic Relaxation Geant4 Low Energy Electromagnetic package takes into account the detailed atomic structure of matter and the related physics processes It includes a package for Atomic Relaxation Simulation of atomic de-excitation resulting from the creation of a vacancy in an atom by a primary process Geant4 Atomic Relaxation models Fluorescence Auger electron emission It is used by Geant4 packages: Low Energy Electromagnetic These physics models are relevant to many diverse experimental applications Photoelectric effect Low Energy electron ionisation Low Energy proton ionisation (PIXE) Penelope Compton scattering Hadronic Physics Nuclear de-excitation Radioactive decay
8 Geant4 fluorescence Cosmic rays, jovian electrons Original motivation from astrophysics requirements X-Ray Surveys of Asteroids and Moons Solar X-rays, e, p Geant3.21 ITS3.0, EGS4 Courtesy SOHO EIT Induced X-ray line emission: indicator of target composition (~100 m surface layer) Geant4 250 kev C, N, O line emissions included Wide field ofcourtesy applications beyond&astrophysics ESA Space Environment Effects Analysis Section
9 Atomic Relaxation in Geant4 Two steps: Identification of the atomic shell where a vacancy is created by a primary process (photoelectric, Compton, ionisation) The creation of the vacancy is based on the calculation of the primary process cross sections relative to the shells of the target atom Cross section modeling and calculation specific to each process Generation of the de-excitation chain and its products Common package, used by all vacancy-creating processes Geant4 Atomic Relaxation Generation of fluorescence photons and Auger electrons Determination of the energy of the secondary particles produced
10 Modelling foundation in Geant4 Low Energy Electromagnetic Package Calculation of shell cross sections Based on the EPDL97 Livermore Library for photoelectric effect Based on the EEDL Livermore Library for electron ionisation Based on Penelope model for Compton scattering Detailed atom description and calculation of the energy of generated photons/electrons Based on the EADL Livermore Library
11 Validation of Geant4 Atomic Relaxation Previous partial validation studies (collaboration with ESA Advanced Concepts Division) Pure materials: limited number of elements examined Complex materials: complex experimental set-up, large uncertainties on the target material composition Systematic validation project: NIST database as reference Authoritative, systematic collection of experimental data
12 Method and tools Geant4 test code to generate fluorescence and Auger transitions from all elements Geant4 Atomic Relaxation handles 6 Z 100 Selection of experimental data subsets from NIST database The NIST database also contains data from theoretical calculations Comparison of simulated/nist data with Goodness-of-Fit test Data grouped for the comparison as a function of Z according to the initial vacancy and transition type Statistical Toolkit ( Kolmogorov-Smirnov test The result of the agreement is expressed through the p-value of the test
13 E (kev) Fluorescence Shell vacancy K Shell-end Kolmogorovp-value Smirnov D Geant NIST Z
14 Fluorescence Shell vacancy L1 Shell-end KolmogorovSmirnov D p-value Geant NIST
15 Fluorescence Shell vacancy L2 Shell-end Kolmogorovp-value Smirnov D Geant NIST
16 Fluorescence Shell vacancy L3 Shell-end Kolmogorovp-value Smirnov D Geant NIST
17 Auger electron emission Scarce experimental data in the NIST database Often multiple data for the same Auger transition: ambiguous reference Analysis in progress: comparison of Geant4 simulation data against the NIST subset of experimental data Preliminary results: good qualitative agreement as in the case of X-ray fluorescence Rigorous statistical analysis to be completed, will be included in publication
18 Geant4 electron Bremsstrahlung 2 electromagnetic physics packages Standard Low Energy 3 Bremsstrahlung processes G4eBremsstrahlung Tsai angular distribution G4eLowEnergyBremsstrahlung Tsai 2BN 2BS angular distributions G4PenelopeBremsstrahlung
19 Validation of Geant4 EM physics Ongoing large-scale project K. Amako et al., IEEE Trans. Nucl. Sci. 52 (2005) 910 NSS 2006 N I S T Photon mass attenuation coefficient Range, Stopping power (e, p, ) Atomic relaxation (fluorescence, Auger effect) Proton Bragg peak Electron Bremsstrahlung Bremsstrahlung Difficult to find reference data 1st validation cycle: focus on low energy Difficult to disentangle effects Thin/thick target experiments (because of the continuous part)
20 Angular distributions Penelope Standard Low Energy (TSAI) Angle (deg) 70 kev Low Energy Package Penelope TSAI 2BS 2BN Angle (deg) Angular distribution of photons is strongly model-dependent
21 The experimental set-up e- beam(70 kev-10 MeV) incident on a slab of material Electrons and -rays are absorbed Bremsstrahlung photons can be transmitted Photon (energy, θ) θ electrons Yield, Yield Energy and Polar Angle of the emitted photons Quantitatitative comparison of experimental - simulated distributions Z axis Secondary production threshold = 0.5 m Statistical Toolkit Goodness-of-Fit test in progress
22 Data sets Preliminary results Work in progress! Simulation production: still running Statistical analysis: still preliminary, to be completed N. Starfelt et al., Phys. Rev. 102 (1956) 1598 Thin target: Be, Al, Au - 2.7, , MeV Double differential cross sections W.E. Dance et al., Journal of Appl. Phys. 39 (1968) 2881 Thick target: Al, Fe 0.5, MeV Double differential cross sections Integrated yield R. Ambrose et al., NIM B 56/57 (1991) 327 Absolute and relative yield
23 Double differential at 2.7 MeV on thin (2.63 mg/cm2) Be target N. Starfelt et al., Phys. Rev. 102 (1956) data simulation Energy (MeV) + data simulation Energy (MeV)
24 Double differential at 4.5 MeV on thin (2.63 mg/cm2) Be target N. Starfelt et al., Phys. Rev. 102 (1956) 1598 Preliminary Kolmogorov-Smirnov p-value = 0.13 Preliminary Kolmogorov-Smirnov p-value = data simulation Energy (MeV) + data simulation Energy (MeV)
25 Double differential at 9.7 MeV on thin (2.63 mg/cm2) Be target N. Starfelt et al., Phys. Rev. 102 (1956) data simulation Energy (MeV) + data simulation Energy (MeV)
26 Double differential at 2.7 MeV on thin (0.878 mg/cm2) Al target N. Starfelt et al., Phys. Rev. 102 (1956) data simulation Energy (MeV) + data simulation Energy (MeV)
27 Double differential at 2.7 MeV on thin (0.878 mg/cm2) Al target N. Starfelt et al., Phys. Rev. 102 (1956) data simulation Energy (MeV) + data simulation Energy (MeV)
28 Double differential at 4.5 MeV on thin (0.878 mg/cm2) Al target N. Starfelt et al., Phys. Rev. 102 (1956) data simulation + Energy (MeV) data simulation Energy (MeV)
29 Double differential at 9.7 MeV on thin (0.878 mg/cm2) Al target N. Starfelt et al., Phys. Rev. 102 (1956) data simulation + Energy (MeV) data simulation Energy (MeV)
30 Double differential at 2.7 MeV on thin (0.209 mg/cm2) Au target N. Starfelt et al., Phys. Rev. 102 (1956) data simulation Energy (MeV) + data simulation Energy (MeV)
31 Double differential at 4.5 MeV on thin (0.209 mg/cm2) Au target N. Starfelt et al., Phys. Rev. 102 (1956) data simulation Energy (MeV) + data simulation Energy (MeV)
32 Double differential at 9.7 MeV on thin (0.209 mg/cm2) Au target N. Starfelt et al., Phys. Rev. 102 (1956) data simulation + Energy (MeV) data simulation Energy (MeV)
33 500 kev Angular distribution W.E. Dance et al., Journal of Applied Physics 39 (1968) 2881 Preliminary 2 test p-value = kev electrons on Al (0.548 g/cm2) and Fe (0.257 g/cm2) Thick target experiment Standard package Red = data Black = simulation Absolute comparison o Al Fe
34 Angular distribution 500 kev W.E. Dance et al., Journal of Applied Physics 39 (1968) 2881 Preliminary 2 test p-value = 0.03 Preliminary precise 2 test agreement! p-value = 0.68
35 Angular distribution 500 kev W.E. Dance et al., Journal of Applied Physics 39 (1968) 2881 Preliminary 2 test p-value = 0.33 Preliminary 2 test p-value not meaningful
36 1 MeV Angular distribution Preliminary Fe 2 test p-value not meaningful Same test for 1 MeV primary electrons (threshold: 50 kev) W.E. Dance et al., Journal of Applied Physics 39 (1968) 2881 Targets: Al (0.548 g/cm2) and Fe (0.613 g/cm2) Red = data Black = simulation Absolute comparison o Al Fe
37 Angular distribution 1 MeV W.E. Dance et al., Journal of Applied Physics 39 (1968) 2881 Preliminary Fe 2 test p-value = 0.06 Preliminary Fe 2 test p-value = 0.68 precise agreement! Good agreement for Al - Reasonable also for Fe (2BN)
38 Angular distribution 1 MeV W.E. Dance et al., Journal of Applied Physics 39 (1968) 2881 Preliminary Fe 2 test p-value = 0.36 Preliminary Fe 2 test p-value not meaningful 2BS: good for Al and Fe (except in the backward direction)
39 Integral yield Total yield on Al integrated on (0 ) and on energy (Eth Emax) Also available for other flavours of Geant4 Bremsstrahlung models Preliminary o data simul. W.E. Dance et al., Journal of Applied Physics 39 (1968) 2881 Preliminary Further investigation in progress
40 R. Ambrose et al., Nucl. Instr. Meth. B 56/57 (1991) 327 photon direction 70 kev e- Intensity/Z (ev/sr kev) Energy distribution at 70 kev Penelope Low Energy TSAI 45 deg Photon energy (kev) 70 kev electrons impinging on Al (25.4 mg/cm2)
41 Penelope Photon energy (kev) Intensity/Z (ev/sr kev) Intensity/Z (ev/sr kev) Relative comparison at 70 kev Low Energy TSAI Photon energy (kev) Relative comparison (45 direction) Shapes of the spectra are in good agreement
42 Space Science Medical Physics Astronauts radiation protection Oncological radiotherapy High Energy Physics LHC Radiation Monitors Proton Bragg peak Compare various Geant4 electromagnetic models Assess lowest energy range of hadronic interactions elastic scattering pre-equilibrium + nuclear deexcitation to build further validation tests on solid ground Results directly relevant to various experimental use cases
43 Relevant Geant4 physics models Hadronic Electromagnetic Standard Low Energy ICRU 49 Low Energy Ziegler 1977 Low Energy Ziegler 1985 Low Energy Ziegler 2000 New very low energy models Parameterized (à la GHEISHA) Nuclear Deexcitation Default evaporation GEM evaporation Fermi break-up Pre-equilibrium Precompound model Bertini model Elastic scattering Subset of results shown here Full set of results in publication coming shortly Intra-nuclear cascade Parameterized models Bertini Bertini cascade Binary cascade
44 Experimental data CATANA hadrontherapy facility in Catania, Italy high precision experimental data satisfying rigorous medical physics protocols Geant4 Collaboration members Validation measurements Markus Ionization chamber Resolution 100 m 2 mm Sensitive Volume = 0.05 cm3 Markus Chamber
45 Geant4 simulation Accurate reproduction of the experimental set-up This is the most difficult part to achieve a quantitative Geant4 physics validation Geometry and beam characteristics must be known in detail and with high precision Ad hoc beam line set-up for Geant4 validation to enhance peculiar effects of physics processes Eproton = 63.5 MeV E = 300 kev
46 Electromagnetic processes Electromagnetic options Standard EM Low Energy EM ICRU 49 Low Energy EM Ziegler 1977 Low Energy EM Ziegler 1985 Low Energy EM Ziegler 2000
47 Standard EM Electromagnetic processes Standard EM: e+ p, ions,, e- 1 M events p-value CvM Left branch Whole curve CvM KS AD AD Geant4 Experimental data branch Right KS Cramer-von Mises test Kolmogorov-Smirnov test Anderson-Darling test mm
48 LowE EM ICRU49 Electromagnetic processes Low Energy EM ICRU49: p, ions Low Energy EM Livermore:, estandard EM : 1 M events e+ p-value CvM Left branch Whole curve CvM KS AD AD Geant4 Experimental data branch Right KS Cramer-von Mises test Kolmogorov-Smirnov test Anderson-Darling test mm
49 LowE EM Ziegler 1977 Electromagnetic processes Low Energy EM Ziegler 1977: Low Energy EM Livermore:, estandard EM : e+ p, ions 1 M events Geant4 Experimental data CvM KS AD Cramer-von Mises test Kolmogorov-Smirnov test Anderson-Darling test mm
50 LowE EM Ziegler 1985 Electromagnetic processes Low Energy EM Ziegler 1985: Low Energy EM Livermore:, estandard EM : e+ Subject to further investigation p, ions 1 M events Geant4 Experimental data mm
51 LowE EM Ziegler 2000 Electromagnetic processes Low Energy EM Ziegler 2000: Low Energy EM Livermore:, estandard EM : e+ Subject to further investigation p, ions 1 M events Geant4 Experimental data mm
52 Electromagnetic processes Summary p-value LowE ICRU49 Left branch (CvM) Right branch (KS) Whole curve (AD) CvM Cramer-von Mises test KS Kolmogorov-Smirnov test AD Anderson-Darling test LowE Ziegler 1977 Standard Best EM option: LowE ICRU49 Selected for further EM + Hadronic tests
53 Electromagnetic processes + Elastic scattering Elastic scattering options HadronElastic process with LElastic model HadronElastic process with BertiniElastic model UHadronElastic process with HadronElastic model
54 LowE EM ICRU49 EM + Elastic scattering Low Energy EM ICRU49: p, ions Low Energy EM Livermore:, estandard EM : e+ HadronElastic withp-value LElastic CvM Left branch Whole curve CvM KS AD AD branch Right KS LElastic 1 M events Geant4 Experimental data Cramer-von Mises test Kolmogorov-Smirnov test Anderson-Darling test mm
55 LowE EM ICRU49 EM + Elastic scattering Low Energy EM ICRU49: p, ions Low Energy EM Livermore:, estandard EM : e+ UHadronElastic with HadronElastic p-value CvM Left branch Whole curve CvM KS AD AD branch Right KS HadronElastic 0.5 M events Geant4 Experimental data Cramer-von Mises test Kolmogorov-Smirnov test Anderson-Darling test mm
56 Electromagnetic processes + Elastic scattering + Hadronic inelastic scattering Hadronic Inelastic options Precompound with Default Evaporation Precompound with GEM Evaporation Precompound with Default Evaporation + Fermi Break-up Bertini
57 LowE EM ICRU49 EM + hadronic physics LElastic Precompound default Low Energy EM ICRU49: p, ions Low Energy EM Livermore:, estandard EM : e+ HadronElastic with LElastic Precompound with Default Evaporation 1 M events p-value CvM Left branch Whole curve CvM KS AD AD branch Right KS Cramer-von Mises test Kolmogorov-Smirnov test Anderson-Darling test Geant4 Experimental data mm
58 Standard EM EM + hadronic physics LElastic Precompound default Standard EM: p, ions,, e- e+ HadronElastic with LElastic Precompound with Default Evaporation 1 M events p-value CvM Left branch Whole curve CvM KS AD AD Geant4 Experimental data branch Right KS Cramer-von Mises test Kolmogorov-Smirnov test Anderson-Darling test mm
59 LowE EM ICRU49 EM + hadronic physics HadronElastic Precompound default Low Energy EM ICRU49: p, ions Low Energy EM Livermore:, estandard EM : e+ UHadronElastic with HadronElastic Precompound with Default Evaporation 0.5 M events p-value CvM Left branch Whole curve CvM KS AD AD branch Right KS Geant4 Experimental data Cramer-von Mises test Kolmogorov-Smirnov test Anderson-Darling test mm
60 LowE EM ICRU49 EM + hadronic physics Low Energy EM ICRU49: p, ions Low Energy EM Livermore:, estandard EM : e+ HadronElastic with LElastic 0.5 M events Precompound with GEM Evaporation LElastic Precompound with GEM Evaporation p-value CvM Left branch Whole curve CvM KS AD AD branch Right KS Cramer-von Mises test Kolmogorov-Smirnov test Anderson-Darling test Geant4 Experimental data mm
61 LowE EM ICRU49 EM + hadronic physics Low Energy EM ICRU49: p, ions Low Energy EM Livermore:, estandard EM : e+ HadronElastic with LElastic 0.5 M events Precompound with Fermi Break-up LElastic Precompound with Fermi Break-up p-value CvM Left branch Whole curve CvM KS AD AD branch Right KS Cramer-von Mises test Kolmogorov-Smirnov test Anderson-Darling test Geant4 Experimental data mm
62 LowE EM ICRU49 EM + hadronic physics Low Energy EM ICRU49: p, ions Low Energy EM Livermore:, estandard EM : e+ HadronElastic with LElastic Bertini Inelastic p-value CvM Left branch Whole curve CvM KS AD AD branch Right KS 1 M events Geant4 Experimental data Cramer-von Mises test Kolmogorov-Smirnov test Anderson-Darling test LElastic Bertini Inelastic mm
63 LowE EM ICRU49 EM + hadronic physics Low Energy EM ICRU49: p, ions Low Energy EM Livermore:, estandard EM : e+ HadronElastic with BertiniElastic Bertini Inelastic p-value CvM Left branch Whole curve CvM KS AD 0.5 M events AD branch Right KS BertiniElastic Bertini Inelastic Cramer-von Mises test Kolmogorov-Smirnov test Anderson-Darling test Geant4 Experimental data mm
64 Electromagnetic + Hadronic Summary p-value Standard LowE ICRU49 LowE ICRU49 LowE ICRU49 LowE ICRU49 LowE ICRU49 LowE ICRU49 LElastic LElastic LElastic LElastic LElastic HadronElastic Bertini Elastic Precompound Precompound Bertini Inelastic Precompound Precompound Precompound Bertini Inelastic GEM Fermi Break-up Left Right branch branch (CvM) (KS) Whole curve (AD) Key ingredients Precise electromagnetic physics Good elastic scattering model Good pre-equilibrium model
65 and behind everything Unified Process A rigorous software process Incremental and iterative lifecycle RUP as process framework, tailored to the specific project Mapped onto ISO 15504
66 Conclusion Geant4 physics validation carried on by a small, young team with rigorous methods Underlying vision Systematic approach Rigorous quantitative analysis Current projects Atomic relaxation: final results Bremsstrahlung: preliminary results Proton Bragg peak: mature stage, refinements by end 2006 Publications coming soon
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