Skip to content

MaterialManager: use elements from NistManager

This changes the creation of elements from a custom definition to using Geant4 provided ones. Note: G4Element != simple material (e.g. G4_Al). While doing so, I also discovered a "bug" where we gave Vanadium the element symbol Ti (the physical element was still Vanadium though).

Example 1 Before:
(W) [Geant4]  Material:      Ti5    density:  4.430 g/cm3   RadL:   3.720 cm   Nucl.Int.Length:  28.345 cm
                                    Imean: 228.442 eV   temperature: 293.15 K  pressure:   1.00 atm
            --->  Element: Titanium (Ti)   Z = 22.0   N =    48   A = 47.870 g/mole
                  --->  Isotope:  Ti46   Z = 22   N =  46   A =  45.95 g/mole   abundance:  8.250 %
                  --->  Isotope:  Ti47   Z = 22   N =  47   A =  46.95 g/mole   abundance:  7.440 %
                  --->  Isotope:  Ti48   Z = 22   N =  48   A =  47.95 g/mole   abundance: 73.720 %
                  --->  Isotope:  Ti49   Z = 22   N =  49   A =  48.95 g/mole   abundance:  5.410 %
                  --->  Isotope:  Ti50   Z = 22   N =  50   A =  49.94 g/mole   abundance:  5.180 %
                   ElmMassFraction:  89.88 %  ElmAbundance  86.00 % 
         
            --->  Element: Aluminum (Al)   Z = 13.0   N =    27   A = 26.980 g/mole
                  --->  Isotope:  Al27   Z = 13   N =  27   A =  26.98 g/mole   abundance: 100.000 %
                   ElmMassFraction:   6.12 %  ElmAbundance  10.40 % 
         
            --->  Element: Vanadium (Ti)   Z = 23.0   N =    51   A = 50.940 g/mole
                  --->  Isotope:  Ti50   Z = 23   N =  50   A =  49.95 g/mole   abundance:  0.250 %
                  --->  Isotope:  Ti51   Z = 23   N =  51   A =  50.94 g/mole   abundance: 99.750 %
                   ElmMassFraction:   4.00 %  ElmAbundance   3.60 % 
After:
(W) [Geant4]  Material:      Ti5    density:  4.430 g/cm3   RadL:   3.720 cm   Nucl.Int.Length:  28.344 cm 
                                    Imean: 228.443 eV   temperature: 293.15 K  pressure:   1.00 atm
             
                --->  Element: Ti (Ti)   Z = 22.0   N =    48   A = 47.867 g/mole
                      --->  Isotope:  Ti46   Z = 22   N =  46   A =  45.95 g/mole   abundance:  8.250 %
                      --->  Isotope:  Ti47   Z = 22   N =  47   A =  46.95 g/mole   abundance:  7.440 %
                      --->  Isotope:  Ti48   Z = 22   N =  48   A =  47.95 g/mole   abundance: 73.720 %
                      --->  Isotope:  Ti49   Z = 22   N =  49   A =  48.95 g/mole   abundance:  5.410 %
                      --->  Isotope:  Ti50   Z = 22   N =  50   A =  49.94 g/mole   abundance:  5.180 %
                       ElmMassFraction:  89.88 %  ElmAbundance  86.01 % 
             
                --->  Element: Al (Al)   Z = 13.0   N =    27   A = 26.982 g/mole
                      --->  Isotope:  Al27   Z = 13   N =  27   A =  26.98 g/mole   abundance: 100.000 %
                       ElmMassFraction:   6.12 %  ElmAbundance  10.40 % 
             
                --->  Element: V (V)   Z = 23.0   N =    51   A = 50.942 g/mole
                      --->  Isotope:   V50   Z = 23   N =  50   A =  49.95 g/mole   abundance:  0.250 %
                      --->  Isotope:   V51   Z = 23   N =  51   A =  50.94 g/mole   abundance: 99.750 %
                       ElmMassFraction:   4.00 %  ElmAbundance   3.60 % 
Note the different element names and slight changes in atomic parameters.
Example 2 Before:
(W) [Geant4]  Material:      G10    density:  1.700 g/cm3   RadL:  16.200 cm   Nucl.Int.Length:  54.212 cm 
                                    Imean: 114.382 eV   temperature: 293.15 K  pressure:   1.00 atm
            --->  Element: Si (Si)   Z = 14.0   N =    28   A = 28.085 g/mole
                  --->  Isotope:  Si28   Z = 14   N =  28   A =  27.98 g/mole   abundance: 92.230 %
                  --->  Isotope:  Si29   Z = 14   N =  29   A =  28.98 g/mole   abundance:  4.683 %
                  --->  Isotope:  Si30   Z = 14   N =  30   A =  29.97 g/mole   abundance:  3.087 %
                   ElmMassFraction:  36.13 %  ElmAbundance  18.46 % 
         
            --->  Element: O (O)   Z =  8.0   N =    16   A = 15.999 g/mole
                  --->  Isotope:   O16   Z =  8   N =  16   A =  15.99 g/mole   abundance: 99.757 %
                  --->  Isotope:   O17   Z =  8   N =  17   A =  17.00 g/mole   abundance:  0.038 %
                  --->  Isotope:   O18   Z =  8   N =  18   A =  18.00 g/mole   abundance:  0.205 %
                   ElmMassFraction:  41.17 %  ElmAbundance  36.93 % 
         
            --->  Element: Hydrogen (H)   Z =  1.0   N =     1   A =  1.010 g/mole
                  --->  Isotope:    H1   Z =  1   N =   1   A =   1.01 g/mole   abundance: 99.989 %
                  --->  Isotope:    H2   Z =  1   N =   2   A =   2.01 g/mole   abundance:  0.011 %
                   ElmMassFraction:   1.94 %  ElmAbundance  27.58 % 
         
            --->  Element: Carbon (C)   Z =  6.0   N =    12   A = 12.010 g/mole
                  --->  Isotope:   C12   Z =  6   N =  12   A =  12.00 g/mole   abundance: 98.930 %
                  --->  Isotope:   C13   Z =  6   N =  13   A =  13.00 g/mole   abundance:  1.070 %
                   ElmMassFraction:   7.87 %  ElmAbundance   9.40 % 
         
            --->  Element: Oxygen (O)   Z =  8.0   N =    16   A = 16.000 g/mole
                  --->  Isotope:   O16   Z =  8   N =  16   A =  15.99 g/mole   abundance: 99.757 %
                  --->  Isotope:   O17   Z =  8   N =  17   A =  17.00 g/mole   abundance:  0.038 %
                  --->  Isotope:   O18   Z =  8   N =  18   A =  18.00 g/mole   abundance:  0.205 %
                   ElmMassFraction:   4.89 %  ElmAbundance   4.39 % 
         
            --->  Element: Chlorine (Cl)   Z = 17.0   N =    35   A = 35.450 g/mole
                  --->  Isotope:  Cl35   Z = 17   N =  35   A =  34.97 g/mole   abundance: 75.780 %
                  --->  Isotope:  Cl37   Z = 17   N =  37   A =  36.97 g/mole   abundance: 24.220 %
                   ElmMassFraction:   8.00 %  ElmAbundance   3.24 % 
After:
(W) [Geant4]  Material:      G10    density:  1.700 g/cm3   RadL:  16.200 cm   Nucl.Int.Length:  54.215 cm 
                                    Imean: 114.378 eV   temperature: 293.15 K  pressure:   1.00 atm
             
                --->  Element: Si (Si)   Z = 14.0   N =    28   A = 28.085 g/mole
                      --->  Isotope:  Si28   Z = 14   N =  28   A =  27.98 g/mole   abundance: 92.230 %
                      --->  Isotope:  Si29   Z = 14   N =  29   A =  28.98 g/mole   abundance:  4.683 %
                      --->  Isotope:  Si30   Z = 14   N =  30   A =  29.97 g/mole   abundance:  3.087 %
                       ElmMassFraction:  36.13 %  ElmAbundance  18.46 % 
             
                --->  Element: O (O)   Z =  8.0   N =    16   A = 15.999 g/mole
                      --->  Isotope:   O16   Z =  8   N =  16   A =  15.99 g/mole   abundance: 99.757 %
                      --->  Isotope:   O17   Z =  8   N =  17   A =  17.00 g/mole   abundance:  0.038 %
                      --->  Isotope:   O18   Z =  8   N =  18   A =  18.00 g/mole   abundance:  0.205 %
                       ElmMassFraction:  46.06 %  ElmAbundance  41.31 % 
             
                --->  Element: H (H)   Z =  1.0   N =     1   A =  1.008 g/mole
                      --->  Isotope:    H1   Z =  1   N =   1   A =   1.01 g/mole   abundance: 99.989 %
                      --->  Isotope:    H2   Z =  1   N =   2   A =   2.01 g/mole   abundance:  0.011 %
                       ElmMassFraction:   1.94 %  ElmAbundance  27.58 % 
             
                --->  Element: C (C)   Z =  6.0   N =    12   A = 12.011 g/mole
                      --->  Isotope:   C12   Z =  6   N =  12   A =  12.00 g/mole   abundance: 98.930 %
                      --->  Isotope:   C13   Z =  6   N =  13   A =  13.00 g/mole   abundance:  1.070 %
                       ElmMassFraction:   7.87 %  ElmAbundance   9.40 % 
             
                --->  Element: Cl (Cl)   Z = 17.0   N =    35   A = 35.453 g/mole
                      --->  Isotope:  Cl35   Z = 17   N =  35   A =  34.97 g/mole   abundance: 75.780 %
                      --->  Isotope:  Cl37   Z = 17   N =  37   A =  36.97 g/mole   abundance: 24.220 %
                       ElmMassFraction:   8.00 %  ElmAbundance   3.24 % 
Note that before Oxygen was included twice with slightly different A due being included from G4_SILICON_DIOXIDE (which uses "Geant4's Oxygen") and Epoxy (which uses "our own Oxygen").

In theory this should also be a tiny bit faster due to elements not being defined twice, and in theory physics should change a little. But I am pretty sure both are not measurable for us in a significant way.

Edited by Stephan Lachnit

Merge request reports