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0002
0003 =========================================================
0004 Geant4 - an Object-Oriented Toolkit for Simulation in HEP
0005 =========================================================
0006
0007 UHDR (Ultra High Dose Rate)
0008 --------------------------
0009 This example is provided by the Geant4-DNA collaboration
0010 (http://geant4-dna.org).
0011
0012 Any report or published results obtained using the Geant4-DNA software
0013 shall cite the following Geant4-DNA collaboration publications:
0014 Med. Phys. 45 (2018) e722-e739
0015 Phys. Med. 31 (2015) 861-874
0016 Med. Phys. 37 (2010) 4692-4708
0017 Int. J. Model. Simul. Sci. Comput. 1 (2010) 157–178
0018
0019 0 - INTRODUCTION
0020
0021 This example shows how to activate the mesoscopic model in chemistry and
0022 combine with IRT-syn model (https://arxiv.org/abs/2409.11993).
0023 It allows to simulate chemical reactions longtime (beyond 1 us) of post-irradiation
0024 under different dose rates.
0025
0026 To run the example:
0027 mkdir UHDR-build
0028 cd UHDR-build
0029 cmake ../pathToExamples/UHDR
0030 make
0031
0032 To visualize (only for physical stage)
0033 ./UHDR
0034
0035 In batch mode, the macro beam.in can be used as follows:
0036 ./UHDR UHDR.in
0037 or
0038 ./UHDR UHDR.in 123
0039 # 123 is the user's seed number
0040
0041 1 - GEOMETRY DEFINITION
0042
0043 The world volume is a simple water box 3.2 x 3.2 x 3.2 um3 for 0.01 Gy of cut-off
0044 absorbed dose and 1.6 x 1.6 x 1.6 um3 for 1 Gy. This example is limited to these geometries.
0045 The choice of simulation volume is a compromise between a sufficient number of chemical species a
0046 nd an achievable computation time.
0047
0048 Two parameters define the geometry :
0049 - the material of the box for the physical stage is water.
0050 - for the chemistry stage, the concentration of scavengers in [mole/l]
0051 is added. This concentration is supposed to have no effect on the
0052 physical stage. pH is defined as scavengers of H3O^1, OH^-1.
0053 In this example, we consider that chemical molecules diffuse and react in a
0054 bounded volume (that is, limited by geometrical boundaries) which is also
0055 the irradiated water box volume of the physical stage.
0056 The bouncing of chemical molecules on the volume border is applied
0057 for both SBS and mesoscopic models.
0058 The bouncing is not applied for physical stage.
0059
0060 2 - PHYSICS LIST
0061
0062 PhysicsList is Geant4 modular physics list using G4EmDNAPhysics_option2
0063 and EmDNAChemistry constructors (the chemistry constructor uses the
0064 Step-by-step method).
0065
0066 3 - CHEMISTRY WORLD
0067
0068 This object is controlled by DetectorContruction. It defines the chemistry volume,
0069 scavengers and pH of water.
0070
0071 This fearture can be set by the following commands:
0072 # pH and Scavenger
0073 /UHDR/env/pH 5.5
0074
0075 # air concentration
0076 /UHDR/env/scavenger O2 21 %
0077 /UHDR/env/scavenger CO2 0.041 %
0078 /UHDR/env/scavenger HCO3m 2.4 uM
0079
0080
0081 4 - AN EVENT: THE PRIMARY GENERATOR
0082
0083 This example utilizes the G4SingleParticleSource.
0084 Each event consists of multiple incident particles.
0085 A large number has been chosen to ensure that the stack remains non-empty until the desired
0086 energy deposition is achieved (which is then converted to a cutoff dose).
0087 With each /run/beamOn command, a group of particles is emitted. The cutoff dose
0088 (dose threshold) determined by users.
0089 The actual dose is calculated based on the real energy deposited in the volume.
0090
0091 5 - DETECTOR RESPONSE: Scorer
0092
0093 There is one G4MultiFunctionalDetector object which computes the
0094 energy deposition and the number of species along time in order to
0095 extract the G-value:
0096 (Number of species X) / (100 eV of deposited energy).
0097
0098 These two macro commands can be used to control the scoring time:
0099 /scorer/species/addTimeToRecord 1 ps
0100 # user can select time bin to score G values.
0101 /scorer/species/nOfTimeBins
0102 # or user can automatically select time bin logarithmically.
0103
0104
0105 6 - PULSE ACTION and INTERPULSE ACTION
0106
0107 The time structure can be activated by implementing a delayed time, Δt,
0108 which is sampled from a beamline raw signal of a measured pulse.
0109 Each delayed time is associated with a primary particle and propagates to its corresponding
0110 primary chemical species induced by this primary particle.
0111 These primary chemical species remain inactive until the virtual simulation time matches
0112 their respective delayed time. This process creates a duration for the primary particle train
0113 where their primary chemical species are activated randomly through an experimental beam
0114 current transformation, named "pulse duration".
0115
0116 This fearture can be set by the following commands:
0117 # time structure
0118 /UHDR/pulse/pulseOn true // active the time structure
0119 # push structure file
0120 /UHDR/pulse/pulseFile 1.4us // push structure file
0121
0122 # pulse structure
0123 /UHDR/pulse/multiPulse true // active the multi pulse
0124 /UHDR/pulse/pulsePeriod 10 ms // time between two pulses (DIT)
0125 /UHDR/pulse/numberOfPulse 2 // number of pulses
0126
0127
0128 7 - OUTPUT
0129
0130 G-value
0131
0132 8 - RELEVANT MACRO COMMANDS AND MACRO FILE
0133
0134 The user macro files are:
0135 beam.in (default),
0136 CONV.in (Conventional)
0137 UHDR.in (Ultra High Dose Rate)
0138 initialize.in (initialize geo and phys)
0139 scavengers.in (pH and scavengers are defined)
0140
0141 9 - REACTION BUILDER
0142
0143 Reaction lists are collected by builders for specific applications.
0144 ChemNO2_NO3ScavengerBuilder is to build the reaction list with NO2-/NO3-.
0145 ChemPureWaterBuilder is to build the reaction list with pH.
0146 ChemOxygenWaterBuilder is to build the reaction list with ROS.
0147 ChemFrickeReactionBuilder is to build the reaction list of Fricke Dosimeter.
0148
0149 10 - PLOT
0150
0151 The information about all the molecular species is scored in a ROOT
0152 (https://root.cern) ntuple file Dose_xxx.root (xxx is seed number).
0153 The ROOT program plot_time
0154 can be used to plot the G values vs time for each species.
0155
0156 Execute plot_time as:
0157
0158 root plot_time.C
0159
0160
0161 or print G values to scorer.txt
0162
0163 root plot_time.C > scorer.txt
0164
0165
0166 The results show the molecular species (G values) as a function of
0167 time (ns).
0168
0169 11 - Periodic Boundary Condition (PBC)
0170
0171 The Periodic Boundary Condition is implemented based on https://github.com/amentumspace/g4pbc
0172 to calculate microdosimetry. The periodic boundary condition (PBC) is used to simulate the
0173 behavior of secondary electrons during the physical stage.
0174 When an electron exits an edge of a cubic volume, it re-enters from the opposite edge.
0175 The PBC helps reduce the edge effects in dose calculations for micrometer-sized volumes
0176
0177
0178 The PBC requires a maximum dose (xxx) to abort the event. This to avoid the high energy of
0179 secondary electrons deposit a large energy inside the micro volume.
0180
0181 /scorer/Dose/abortedDose xxx Gy
0182
0183 Use the following command to activate or deactivate PBC.
0184
0185 /UHDR/Detector/PBC true
0186
0187 Contact: H. Tran (tran@lp2ib.in2p3.fr)
0188 CNRS, lp2i, UMR 5797, Université de Bordeaux, F-33170 Gradignan, France