diff --git a/trimsp/src/TrimSPGUI/Chem.pm b/trimsp/src/TrimSPGUI/Chem.pm index fe8a0a0..7586837 100644 --- a/trimsp/src/TrimSPGUI/Chem.pm +++ b/trimsp/src/TrimSPGUI/Chem.pm @@ -329,108 +329,6 @@ sub Massof { } -sub Dichteof { - my ($El) = @_; - - my %Dichte = ( - "H", 0.08, - "He", 0.12, - "Li", 0.53, - "Be", 1.85, - "B", 2.35, - "C", 3.51, - "N", 1.03, - "O", 2.00, - "F", 1.11, - "Ne", 1.50, - "Na", 0.97, - "Mg", 1.74, - "Al", 2.70, - "Si", 2.33, - "P", 1.00, - "S", 2.07, - "Cl", 2.03, - "Ar", 1.77, - "K", 0.86, - "Ca", 1.54, - "Sc", 2.99, - "Ti", 4.51, - "V", 6.09, - "Cr", 7.14, - "Mn", 7.44, - "Fe", 7.87, - "Co", 8.89, - "Ni", 8.91, - "Cu", 8.92, - "Zn", 7.14, - "Ga", 5.91, - "Ge", 5.32, - "As", 5.72, - "Se", 4.19, - "Br", 3.14, - "Kr", 3.10, - "Rb", 1.53, - "Sr", 2.63, - "Y", 4.47, - "Zr", 6.51, - "Nb", 8.58, - "Mo", 10.28, - "Tc", 11.49, - "Ru", 12.45, - "Rh", 12.41, - "Pd", 12.02, - "Ag", 10.49, - "Cd", 8.64, - "In", 7.31, - "Sn", 7.29, - "Sb", 6.69, - "Te", 6.25, - "I", 4.94, - "Xe", 3.80, - "Cs", 1.90, - "Ba", 3.65, - "La", 6.16, - "Ce", 6.77, - "Pr", 6.48, - "Nd", 7.00, - "Pm", 7.22, - "Sm", 7.54, - "Eu", 5.25, - "Gd", 7.89, - "Tb", 8.25, - "Dy", 8.56, - "Ho", 8.78, - "Er", 9.05, - "Tm", 9.32, - "Yb", 6.97, - "Lu", 9.84, - "Hf", 13.31, - "Ta", 16.68, - "W", 19.26, - "Re", 21.03, - "Os", 22.61, - "Ir", 22.65, - "Pt", 21.45, - "Au", 19.32, - "Hg", 13.55, - "Tl", 11.85, - "Pb", 11.34, - "Bi", 9.80, - "Po", 9.20, - "At", 0.10, - "Rn", 0.10, - "Fr", 0.10, - "Ra", 5.50, - "Ac", 10.07, - "Th", 11.72, - "Pa", 15.37, - "U", 18.97, - "", 0.0000 - ); - return $Dichte{$El}; -} - - sub Elastof { my ($El) = @_; @@ -635,7 +533,7 @@ sub Stopicru { } sub Densities { -# Database of densities for different compounds +# Database of densities for different compounds and elements my ($Compound) = @_; my %Densities = ( @@ -669,14 +567,24 @@ sub Densities { "GaAs",5.32, "Mn12-Acetate",1.65, "C60",1.65, + "H",0.08, + "He",0.12, "Li",0.53, "Be",1.85, "B",2.34, "C",2.26, + "N",1.03, + "O",2.00, + "F",1.11, + "Ne",1.50, "Na",0.97, "Mg",1.74, "Al",2.7, "Si",2.33, + "P",1.00, + "S",2.07, + "Cl",2.03, + "Ar",1.77, "K",0.86, "Ca",1.55, "Sc",2.99, @@ -691,7 +599,11 @@ sub Densities { "Zn",7.13, "Ga",5.91, "Ge",5.32, + "As",5.72, "Se",4.79, + "Br",3.14, + "Kr",3.10, + "Rb",1.53, "Sr",2.54, "Y",4.47, "Zr",6.51, @@ -708,11 +620,14 @@ sub Densities { "Sb",6.68, "Te",6.24, "I",4.93, + "Xe",3.80, + "Cs",1.90, "Ba",3.59, "La",6.15, "Ce",6.77, "Pr",6.77, "Nd",7.01, + "Pm",7.22, "Sm",7.52, "Eu",5.24, "Gd",7.9, @@ -720,6 +635,7 @@ sub Densities { "Dy",8.55, "Ho",8.8, "Er",9.07, + "Tm",9.32, "Yb",6.9, "Lu",9.84, "Hf",13.31, diff --git a/trimsp/src/TrimSPGUI4/Chem.pm b/trimsp/src/TrimSPGUI4/Chem.pm index fe8a0a0..7586837 100644 --- a/trimsp/src/TrimSPGUI4/Chem.pm +++ b/trimsp/src/TrimSPGUI4/Chem.pm @@ -329,108 +329,6 @@ sub Massof { } -sub Dichteof { - my ($El) = @_; - - my %Dichte = ( - "H", 0.08, - "He", 0.12, - "Li", 0.53, - "Be", 1.85, - "B", 2.35, - "C", 3.51, - "N", 1.03, - "O", 2.00, - "F", 1.11, - "Ne", 1.50, - "Na", 0.97, - "Mg", 1.74, - "Al", 2.70, - "Si", 2.33, - "P", 1.00, - "S", 2.07, - "Cl", 2.03, - "Ar", 1.77, - "K", 0.86, - "Ca", 1.54, - "Sc", 2.99, - "Ti", 4.51, - "V", 6.09, - "Cr", 7.14, - "Mn", 7.44, - "Fe", 7.87, - "Co", 8.89, - "Ni", 8.91, - "Cu", 8.92, - "Zn", 7.14, - "Ga", 5.91, - "Ge", 5.32, - "As", 5.72, - "Se", 4.19, - "Br", 3.14, - "Kr", 3.10, - "Rb", 1.53, - "Sr", 2.63, - "Y", 4.47, - "Zr", 6.51, - "Nb", 8.58, - "Mo", 10.28, - "Tc", 11.49, - "Ru", 12.45, - "Rh", 12.41, - "Pd", 12.02, - "Ag", 10.49, - "Cd", 8.64, - "In", 7.31, - "Sn", 7.29, - "Sb", 6.69, - "Te", 6.25, - "I", 4.94, - "Xe", 3.80, - "Cs", 1.90, - "Ba", 3.65, - "La", 6.16, - "Ce", 6.77, - "Pr", 6.48, - "Nd", 7.00, - "Pm", 7.22, - "Sm", 7.54, - "Eu", 5.25, - "Gd", 7.89, - "Tb", 8.25, - "Dy", 8.56, - "Ho", 8.78, - "Er", 9.05, - "Tm", 9.32, - "Yb", 6.97, - "Lu", 9.84, - "Hf", 13.31, - "Ta", 16.68, - "W", 19.26, - "Re", 21.03, - "Os", 22.61, - "Ir", 22.65, - "Pt", 21.45, - "Au", 19.32, - "Hg", 13.55, - "Tl", 11.85, - "Pb", 11.34, - "Bi", 9.80, - "Po", 9.20, - "At", 0.10, - "Rn", 0.10, - "Fr", 0.10, - "Ra", 5.50, - "Ac", 10.07, - "Th", 11.72, - "Pa", 15.37, - "U", 18.97, - "", 0.0000 - ); - return $Dichte{$El}; -} - - sub Elastof { my ($El) = @_; @@ -635,7 +533,7 @@ sub Stopicru { } sub Densities { -# Database of densities for different compounds +# Database of densities for different compounds and elements my ($Compound) = @_; my %Densities = ( @@ -669,14 +567,24 @@ sub Densities { "GaAs",5.32, "Mn12-Acetate",1.65, "C60",1.65, + "H",0.08, + "He",0.12, "Li",0.53, "Be",1.85, "B",2.34, "C",2.26, + "N",1.03, + "O",2.00, + "F",1.11, + "Ne",1.50, "Na",0.97, "Mg",1.74, "Al",2.7, "Si",2.33, + "P",1.00, + "S",2.07, + "Cl",2.03, + "Ar",1.77, "K",0.86, "Ca",1.55, "Sc",2.99, @@ -691,7 +599,11 @@ sub Densities { "Zn",7.13, "Ga",5.91, "Ge",5.32, + "As",5.72, "Se",4.79, + "Br",3.14, + "Kr",3.10, + "Rb",1.53, "Sr",2.54, "Y",4.47, "Zr",6.51, @@ -708,11 +620,14 @@ sub Densities { "Sb",6.68, "Te",6.24, "I",4.93, + "Xe",3.80, + "Cs",1.90, "Ba",3.59, "La",6.15, "Ce",6.77, "Pr",6.77, "Nd",7.01, + "Pm",7.22, "Sm",7.52, "Eu",5.24, "Gd",7.9, @@ -720,6 +635,7 @@ sub Densities { "Dy",8.55, "Ho",8.8, "Er",9.07, + "Tm",9.32, "Yb",6.9, "Lu",9.84, "Hf",13.31,