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Merge pull request #9 from rest-for-physics/mass-fraction-fix
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Fix gdml mass fraction error
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@lobis
lobis authored Jul 27, 2024
2 parents 818ece6 + b39158d commit 25e06f7
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2 changes: 1 addition & 1 deletion .gitignore
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256 changes: 193 additions & 63 deletions definitions/gases.xml
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<?xml version="1.0" encoding="UTF-8"?>
<!-- Unless otherwise specified, conditions are T=25C, P=1bar -->

<materials>

<!-- Quenchers -->
<material name="TMA" state="gas">
<D unit="mg/cm3" value="quencherDensity" />
<T unit="K" value="gasTemperature" />
<P unit="bar" value="gasPressure" />
<material name="TMAGas" state="gas">
<D unit="kg/m3" value="6.70" />
<composite n="3" ref="C" />
<composite n="9" ref="H" />
<composite n="1" ref="N" />
</material>
<material name="Isobutane" state="gas">
<D unit="mg/cm3" value="quencherDensity" />
<T unit="K" value="gasTemperature" />
<P unit="bar" value="gasPressure" />
<material name="IsobutaneGas" state="gas">
<D unit="kg/m3" value="2.38467" />
<composite n="4" ref="C" />
<composite n="10" ref="H" />
</material>
<!-- Gas mixtures -->
<material name="PureHelium" state="gas">
<T unit="K" value="gasTemperature" />
<P unit="bar" value="gasPressure" />
<MEE unit="eV" value="188" />
<D unit="mg/cm3" value="targetGasDensity" />
<fraction n="1" ref="G4_He" />
</material>
<material name="PureXenon" state="gas">
<T unit="K" value="gasTemperature" />
<P unit="bar" value="gasPressure" />
<MEE unit="eV" value="482" />
<D unit="mg/cm3" value="targetGasDensity" />
<fraction n="1" ref="G4_Xe" />
</material>
<material name="Xenon_TMA" state="gas">
<D unit="mg/cm3" value="targetGasDensity+quencherDensity" />
<P unit="bar" value="gasPressure" />
<T unit="K" value="gasTemperature" />
<fraction n="quencherFraction" ref="TMA" />
<fraction n="1-quencherFraction" ref="G4_Xe" />
</material>
<material name="Xenon_ISO" state="gas">
<D unit="mg/cm3" value="targetGasDensity+quencherDensity" />
<P unit="bar" value="gasPressure" />
<T unit="K" value="gasTemperature" />
<fraction n="quencherFraction" ref="Isobutane" />
<fraction n="1-quencherFraction" ref="G4_Xe" />
</material>
<material name="XenonNeon" state="gas">
<T unit="K" value="gasTemperature"/>
<P unit="bar" value="gasPressure"/>
<D unit="mg/cm3" value="targetGasDensity+quencherDensity"/>
<fraction n="1-quencherFraction" ref="G4_Xe"/>
<fraction n="quencherFraction" ref="G4_Ne"/>

<!-- Target gases -->
<material name="HeliumGas" state="gas">
<D unit="kg/m3" value="0.125" />
<fraction n="1" ref="He" />
</material>
<material name="XenonGas" state="gas">
<D unit="kg/m3" value="5.894" />
<fraction n="1" ref="Xe" />
</material>
<material name="ArgonGas" state="gas">
<D unit="kg/m3" value="1.63897" />
<fraction n="1" ref="Ar" />
</material>
<material name="Xenon50Neon50Gas" state="gas">
<D unit="kg/m3" value="3.0553"/>
<fraction n="0.8667868153341387" ref="Xe"/>
<fraction n="0.1332131846658613" ref="Ne"/>
</material>
<material name="PureArgon" state="gas">
<T unit="K" value="gasTemperature" />
<P unit="bar" value="gasPressure" />
<MEE unit="eV" value="188" />
<D unit="mg/cm3" value="targetGasDensity" />
<fraction n="1" ref="G4_Ar" />
</material>
<material name="Ar_ISO" state="gas">
<D unit="mg/cm3" value="targetGasDensity+quencherDensity" />
<P unit="bar" value="gasPressure" />
<T unit="K" value="gasTemperature" />
<fraction n="quencherFraction" ref="Isobutane" />
<fraction n="1-quencherFraction" ref="G4_Ar" />
</material>
<material name="Neon_ISO" state="gas">
<D unit="mg/cm3" value="targetGasDensity+quencherDensity" />
<P unit="bar" value="gasPressure" />
<T unit="K" value="gasTemperature" />
<fraction n="quencherFraction" ref="Isobutane" />
<fraction n="1-quencherFraction" ref="G4_Ne" />

<!-- Mixtures -->
<material name="Argon1%Isobutane1bar" state="gas">
<D unit="kg/m3" value="1.61882" />
<T unit="K" value="298.15" />
<fraction n="0.9855" ref="ArgonGas" />
<fraction n="0.0145" ref="IsobutaneGas" />
</material>
<material name="Argon2%Isobutane1bar" state="gas">
<D unit="kg/m3" value="1.62615" />
<T unit="K" value="298.15" />
<fraction n="0.9711" ref="ArgonGas" />
<fraction n="0.0289" ref="IsobutaneGas" />
</material>
<material name="Argon3%Isobutane1bar" state="gas">
<D unit="kg/m3" value="1.63348" />
<T unit="K" value="298.15" />
<fraction n="0.9569" ref="ArgonGas" />
<fraction n="0.0431" ref="IsobutaneGas" />
</material>
<material name="Argon4%Isobutane1bar" state="gas">
<D unit="kg/m3" value="1.64081" />
<T unit="K" value="298.15" />
<fraction n="0.9428" ref="ArgonGas" />
<fraction n="0.0572" ref="IsobutaneGas" />
</material>
<material name="Argon5%Isobutane1bar" state="gas">
<D unit="kg/m3" value="1.64814" />
<T unit="K" value="298.15" />
<fraction n="0.9288" ref="ArgonGas" />
<fraction n="0.0712" ref="IsobutaneGas" />
</material>
<material name="Argon10%Isobutane1bar" state="gas">
<D unit="kg/m3" value="1.6848" />
<T unit="K" value="298.15" />
<fraction n="0.8608" ref="ArgonGas" />
<fraction n="0.1392" ref="IsobutaneGas" />
</material>

<material name="XenonNeon1%Isobutane1bar" state="gas">
<D unit="kg/m3" value="3.04819" />
<T unit="K" value="298.15" />
<fraction n="0.99230795006" ref="Xenon50Neon50Gas" />
<fraction n="0.00769204994" ref="IsobutaneGas" />
</material>

<material name="XenonNeon2.3%Isobutane1bar" state="gas">
<D unit="kg/m3" value="3.03895" />
<T unit="K" value="298.15" />
<fraction n="0.98225450491" ref="Xenon50Neon50Gas" />
<fraction n="0.01774549509" ref="IsobutaneGas" />
</material>

<!-- Mixtures at different pressures -->

<material name="XenonNeon2.3%Isobutane1.05bar" state="gas">
<D unit="kg/m3" value="3.1908975" />
<T unit="K" value="298.15" />
<fraction n="1" ref="XenonNeon2.3%Isobutane1bar" />
</material>

<material name="Argon1%Isobutane1.2bar" state="gas">
<D unit="kg/m3" value="1.942584" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon1%Isobutane1bar" />
</material>

<material name="Argon2%Isobutane1.2bar" state="gas">
<D unit="kg/m3" value="1.95138" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon2%Isobutane1bar" />
</material>

<material name="Argon3%Isobutane1.2bar" state="gas">
<D unit="kg/m3" value="1.960176" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon3%Isobutane1bar" />
</material>

<material name="Argon4%Isobutane1.2bar" state="gas">
<D unit="kg/m3" value="1.968972" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon4%Isobutane1bar" />
</material>

<material name="Argon5%Isobutane1.2bar" state="gas">
<D unit="kg/m3" value="1.977768" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon5%Isobutane1bar" />
</material>

<material name="Argon10%Isobutane1.2bar" state="gas">
<D unit="kg/m3" value="2.02176" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon10%Isobutane1bar" />
</material>

<material name="Argon1%Isobutane1.4bar" state="gas">
<D unit="kg/m3" value="2.266348" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon1%Isobutane1bar" />
</material>

<material name="Argon2%Isobutane1.4bar" state="gas">
<D unit="kg/m3" value="2.27661" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon2%Isobutane1bar" />
</material>

<material name="Argon3%Isobutane1.4bar" state="gas">
<D unit="kg/m3" value="2.286872" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon3%Isobutane1bar" />
</material>

<material name="Argon4%Isobutane1.4bar" state="gas">
<D unit="kg/m3" value="2.297134" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon4%Isobutane1bar" />
</material>

<material name="Argon5%Isobutane1.4bar" state="gas">
<D unit="kg/m3" value="2.307396" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon5%Isobutane1bar" />
</material>

<material name="Argon10%Isobutane1.4bar" state="gas">
<D unit="kg/m3" value="2.35872" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon10%Isobutane1bar" />
</material>

<material name="Argon1%Isobutane1.6bar" state="gas">
<D unit="kg/m3" value="2.590112" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon1%Isobutane1bar" />
</material>

<material name="Argon2%Isobutane1.6bar" state="gas">
<D unit="kg/m3" value="2.60184" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon2%Isobutane1bar" />
</material>

<material name="Argon3%Isobutane1.6bar" state="gas">
<D unit="kg/m3" value="2.613568" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon3%Isobutane1bar" />
</material>

<material name="Argon4%Isobutane1.6bar" state="gas">
<D unit="kg/m3" value="2.625296" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon4%Isobutane1bar" />
</material>

<material name="Argon5%Isobutane1.6bar" state="gas">
<D unit="kg/m3" value="2.637024" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon5%Isobutane1bar" />
</material>

<material name="Argon10%Isobutane1.6bar" state="gas">
<D unit="kg/m3" value="2.69568" />
<T unit="K" value="298.15" />
<fraction n="1" ref="Argon10%Isobutane1bar" />
</material>

</materials>
76 changes: 76 additions & 0 deletions definitions/gases_rest.xml
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<?xml version="1.0" encoding="UTF-8"?>
<materials>
<!-- Quenchers -->
<material name="TMA" state="gas">
<D unit="mg/cm3" value="quencherDensity" />
<T unit="K" value="gasTemperature" />
<P unit="bar" value="gasPressure" />
<composite n="3" ref="C" />
<composite n="9" ref="H" />
<composite n="1" ref="N" />
</material>
<material name="Isobutane" state="gas">
<D unit="mg/cm3" value="quencherDensity" />
<T unit="K" value="gasTemperature" />
<P unit="bar" value="gasPressure" />
<composite n="4" ref="C" />
<composite n="10" ref="H" />
</material>
<!-- Gas mixtures -->
<material name="PureHelium" state="gas">
<T unit="K" value="gasTemperature" />
<P unit="bar" value="gasPressure" />
<MEE unit="eV" value="188" />
<D unit="mg/cm3" value="targetGasDensity" />
<fraction n="1" ref="G4_He" />
</material>
<material name="PureXenon" state="gas">
<T unit="K" value="gasTemperature" />
<P unit="bar" value="gasPressure" />
<MEE unit="eV" value="482" />
<D unit="mg/cm3" value="targetGasDensity" />
<fraction n="1" ref="G4_Xe" />
</material>
<material name="Xenon_TMA" state="gas">
<D unit="mg/cm3" value="targetGasDensity+quencherDensity" />
<P unit="bar" value="gasPressure" />
<T unit="K" value="gasTemperature" />
<fraction n="quencherFraction" ref="TMA" />
<fraction n="1-quencherFraction" ref="G4_Xe" />
</material>
<material name="Xenon_ISO" state="gas">
<D unit="mg/cm3" value="targetGasDensity+quencherDensity" />
<P unit="bar" value="gasPressure" />
<T unit="K" value="gasTemperature" />
<fraction n="quencherFraction" ref="Isobutane" />
<fraction n="1-quencherFraction" ref="G4_Xe" />
</material>
<material name="XenonNeon" state="gas">
<T unit="K" value="gasTemperature"/>
<P unit="bar" value="gasPressure"/>
<D unit="mg/cm3" value="targetGasDensity+quencherDensity"/>
<fraction n="1-quencherFraction" ref="G4_Xe"/>
<fraction n="quencherFraction" ref="G4_Ne"/>
</material>
<material name="PureArgon" state="gas">
<T unit="K" value="gasTemperature" />
<P unit="bar" value="gasPressure" />
<MEE unit="eV" value="188" />
<D unit="mg/cm3" value="targetGasDensity" />
<fraction n="1" ref="G4_Ar" />
</material>
<material name="Ar_ISO" state="gas">
<D unit="mg/cm3" value="targetGasDensity+quencherDensity" />
<P unit="bar" value="gasPressure" />
<T unit="K" value="gasTemperature" />
<fraction n="quencherFraction" ref="Isobutane" />
<fraction n="1-quencherFraction" ref="G4_Ar" />
</material>
<material name="Neon_ISO" state="gas">
<D unit="mg/cm3" value="targetGasDensity+quencherDensity" />
<P unit="bar" value="gasPressure" />
<T unit="K" value="gasTemperature" />
<fraction n="quencherFraction" ref="Isobutane" />
<fraction n="1-quencherFraction" ref="G4_Ne" />
</material>
</materials>
6 changes: 3 additions & 3 deletions materials.py
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Expand Up @@ -10,9 +10,9 @@

files_to_generate = {
"output/NIST.xml": ["definitions/NIST.xml"],
"output/materials.xml": ["definitions/NIST.xml", "definitions/other.xml", "definitions/liquidO.xml"],
"output/gases.xml": ["definitions/NIST.xml", "definitions/gases.xml"],
"output/rest.xml": ["definitions/NIST.xml", "definitions/gases.xml", "definitions/other.xml"]
"output/materials.xml": ["definitions/NIST.xml", "definitions/other.xml", "definitions/liquidO.xml", "definitions/gases.xml"],
"output/gases_rest.xml": ["definitions/NIST.xml", "definitions/gases_rest.xml"],
"output/rest.xml": ["definitions/NIST.xml", "definitions/gases.xml", "definitions/gases_rest.xml", "definitions/other.xml"]
}


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6 changes: 6 additions & 0 deletions output/NIST.xml
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Expand Up @@ -2477,6 +2477,12 @@
<fraction n="0.441452" ref="Hg"/>
<fraction n="0.558548" ref="I"/>
</material>
<material name="G4_SILICUM_OXIDE" state="solid">
<MEE unit="eV" value="168"/>
<D unit="g/cm3" value="2.65"/>
<fraction n="0.467" ref="Si"/>
<fraction n="0.532" ref="O"/>
</material>
<material name="G4_METHANE" state="gas">
<D value="6.67151e-04" unit="g/cm3"/>
<fraction n="0.748682" ref="C"/>
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6 changes: 6 additions & 0 deletions output/gases.xml → output/gases_rest.xml
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Expand Up @@ -2477,6 +2477,12 @@
<fraction n="0.441452" ref="Hg"/>
<fraction n="0.558548" ref="I"/>
</material>
<material name="G4_SILICUM_OXIDE" state="solid">
<MEE unit="eV" value="168"/>
<D unit="g/cm3" value="2.65"/>
<fraction n="0.467" ref="Si"/>
<fraction n="0.532" ref="O"/>
</material>
<material name="G4_METHANE" state="gas">
<D value="6.67151e-04" unit="g/cm3"/>
<fraction n="0.748682" ref="C"/>
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