subroutine E_Glass(A_eff,Z_eff, & N_Si,N_Ca,N_Al,N_Mg,N_B,N_Ti,N_Na,N_K,N_Fe,N_F,N_O, & I_eff_alt) implicit none C comment: C Calculate the mass fraction of each element in E_Glass : LBL C Calculate I_eff, L_rad of E_Glass : LBL C C 1 : SiO2, mass fraction = 0.54 C 2 : CaO, mass fraction = 0.19 C 3 : Al2O3, mass fraction = 0.13 C 4 : MgO, mass fraction = 0.025 C 5 : B2O3, mass fraction = 0.075 C 6 : TiO2, mass fraction = 0.008 C 7 : Na2O, mass fraction = 0.01 C 8 : K2O, mass fraction = 0.01 C 9 : Fe2O3, mass fraction = 0.005 C 10 : F2, mass fraction = 0.007 C cf) http://personalpages.to.infn.it/~tosello/EngMeet/ITSmat/SDD/E_glass.html C C output: real*8 A_eff,Z_eff real*8 N_Si,N_Ca,N_Al,N_Mg,N_B,N_Ti,N_Na,N_K,N_Fe,N_F,N_O real*8 I_eff_alt C constant: real*8 A_H,A_C,A_O,A_N ! Atomic weight parameter(A_H=1.008D0,A_C=12.0107D0,A_O=15.9990D0,A_N=14.0070D0) !LBL real*8 A_Si,A_Ca,A_Al,A_Mg,A_B,A_Ti,A_Na,A_K,A_Fe,A_F parameter(A_Si=28.0855D0,A_Ca=40.078D0,A_Al=26.9815D0, & A_Mg=24.3050D0,A_B=10.8100D0,A_Ti=47.867D0, & A_Na=22.9898D0,A_K=39.0983D0,A_Fe=55.8450D0, & A_F=18.9984D0) real*8 Z_H,Z_C,Z_O,Z_N ! Atomic charge parameter(Z_H=1.D0,Z_C=6.D0,Z_O=8.D0,Z_N=7.D0) real*8 Z_Si,Z_Ca,Z_Al,Z_Mg,Z_B,Z_Ti,Z_Na,Z_K,Z_Fe,Z_F parameter(Z_Si=14.D0,Z_Ca=20.D0,Z_Al=13.D0, & Z_Mg=12.D0,Z_B=5.D0, Z_Ti=22.D0, & Z_Na=11.D0,Z_K=19.D0, Z_Fe=26.D0, & Z_F=9.D0) C real*8 w_1,w_2,w_3,w_4,w_5,w_6,w_7,w_8,w_9,w_10 ! Mass fraction parameter(w_1=0.54D0, w_2=0.19D0, w_3=0.13D0, & w_4=0.025D0,w_5=0.075D0,w_6=0.008D0, & w_7=0.01D0, w_8=0.01D0, w_9=0.005D0, & w_10=0.007D0 & ) real*8 NSi_1,NO_1 parameter(NSi_1=1.D0,NO_1=2.D0) real*8 NCa_2,NO_2 parameter(NCa_2=1.D0,NO_2=1.D0) real*8 NAl_3,NO_3 parameter(NAl_3=2.D0,NO_3=3.D0) real*8 NMg_4,NO_4 parameter(NMg_4=1.D0,NO_4=1.D0) real*8 NB_5,NO_5 parameter(NB_5 =2.D0,NO_5=3.D0) real*8 NTi_6,NO_6 parameter(NTi_6=1.D0,NO_6=2.D0) real*8 NNa_7,NO_7 parameter(NNa_7=2.D0,NO_7=1.D0) real*8 NK_8,NO_8 parameter(NK_8 =2.D0,NO_8=1.D0) real*8 NFe_9,NO_9 parameter(NFe_9=2.D0,NO_9=3.D0) real*8 NF_10 parameter(NF_10=2.D0) C real*8 A_1,A_2,A_3,A_4,A_5,A_6,A_7,A_8,A_9,A_10 parameter(A_1 = NSi_1 *A_Si + NO_1 *A_O, & A_2 = NCa_2 *A_Ca + NO_2 *A_O, & A_3 = NAl_3 *A_Al + NO_3 *A_O, & A_4 = NMg_4 *A_Mg + NO_4 *A_O, & A_5 = NB_5 *A_B + NO_5 *A_O, & A_6 = NTi_6 *A_Ti + NO_6 *A_O, & A_7 = NNa_7 *A_Na + NO_7 *A_O, & A_8 = NK_8 *A_K + NO_8 *A_O, & A_9 = NFe_9 *A_Fe + NO_9 *A_O, & A_10= NF_10 *A_F & ) real*8 Z_1,Z_2,Z_3,Z_4,Z_5,Z_6,Z_7,Z_8,Z_9,Z_10 parameter(Z_1 = NSi_1 *Z_Si + NO_1 *Z_O, & Z_2 = NCa_2 *Z_Ca + NO_2 *Z_O, & Z_3 = NAl_3 *Z_Al + NO_3 *Z_O, & Z_4 = NMg_4 *Z_Mg + NO_4 *Z_O, & Z_5 = NB_5 *Z_B + NO_5 *Z_O, & Z_6 = NTi_6 *Z_Ti + NO_6 *Z_O, & Z_7 = NNa_7 *Z_Na + NO_7 *Z_O, & Z_8 = NK_8 *Z_K + NO_8 *Z_O, & Z_9 = NFe_9 *Z_Fe + NO_9 *Z_O, & Z_10= NF_10 *Z_F & ) C real*8 I_H,I_C,I_O,I_N parameter(I_H=21.8D0,I_C=81.0D0,I_O=95.0D0,I_N=82.0D0) ! H:liquid,C:amorphous real*8 I_Si,I_Ca,I_Al,I_Mg,I_B,I_Ti,I_Na,I_K,I_Fe,I_F parameter(I_Si=173.0D0,I_Ca=191.0D0,I_Al=166.0D0, & I_Mg=156.0D0,I_B=76.0D0,I_Ti=233.0D0, & I_Na=149.0D0,I_K=190.0D0,I_Fe=286.0D0, & I_F=115.0D0) real*8 L_H,L_C,L_O,L_N parameter(L_H=63.05D0,L_C=42.70D0,L_O=34.24D0,L_N=37.99D0) real*8 L_Si,L_Ca,L_Al,L_Mg,L_B,L_Ti,L_Na,L_K,L_Fe,L_F parameter(L_Si=21.82D0,L_Ca=16.14D0,L_Al=24.01D0, & L_Mg=25.03D0,L_B=52.68D0,L_Ti=16.16D0, & L_Na=27.74D0,L_K=17.32D0,L_Fe=13.84D0, & L_F=32.93D0) C real*8 I_SiO2,I_CaO,I_Al2O3,I_MgO,I_B2O3,I_TiO2,I_Na2O,I_K2O, & I_Fe2O3,I_F2 parameter(I_SiO2=139.2D0, I_CaO =176.1D0, I_Al2O3=145.2D0, & I_MgO =143.8D0, I_B2O3=99.6D0, I_TiO2 =179.5D0, & I_Na2O=148.8D0, I_K2O =189.9D0, I_Fe2O3=227.3D0, & I_F2 =115.0D0) C variables: real*8 N_1,N_2,N_3,N_4,N_5,N_6,N_7,N_8,N_9,N_10 real*8 w_C,w_H,w_O,w_N real*8 w_Si,w_Ca,w_Al,w_Mg,w_B,w_Ti,w_Na,w_K,w_Fe,w_F real*8 A_eff_d,Z_eff_d,ln_I_eff_alt C real*8 I_eff,ln_I_eff real*8 L_rad,recip_L_rad real*8 A_avr,A_avr_d,Z_avr C begin: write(*,'(A)')'***********************************************'// &'*********************************' write(*,'(A)')'E_Glass:' write(*,'(A)')'Calculate various parameters from '// & 'mass fractions of elements (LBL-like way)' write(*,'(A)')'***********************************************'// C &'*********************************' write(*,'(A,F7.3)')'Fraction by weight ([SiO2])= ',w_1 write(*,'(A,F7.3)')'Fraction by weight ([CaO])= ',w_2 write(*,'(A,F7.3)')'Fraction by weight ([Al2O3])= ',w_3 write(*,'(A,F7.3)')'Fraction by weight ([MgO])= ',w_4 write(*,'(A,F7.3)')'Fraction by weight ([B2O3])= ',w_5 write(*,'(A,F7.3)')'Fraction by weight ([TiO2])= ',w_6 write(*,'(A,F7.3)')'Fraction by weight ([Na2O])= ',w_7 write(*,'(A,F7.3)')'Fraction by weight ([K2O])= ',w_8 write(*,'(A,F7.3)')'Fraction by weight ([Fe2O3])= ',w_9 write(*,'(A,F7.3)')'Fraction by weight ([F2])= ',w_10 C N_1 =1.D0 A_eff_d = A_1/w_1 N_2 = w_2 *A_eff_d/A_2 N_3 = w_3 *A_eff_d/A_3 N_4 = w_4 *A_eff_d/A_4 N_5 = w_5 *A_eff_d/A_5 N_6 = w_6 *A_eff_d/A_6 N_7 = w_7 *A_eff_d/A_7 N_8 = w_8 *A_eff_d/A_8 N_9 = w_9 *A_eff_d/A_9 N_10= w_10*A_eff_d/A_10 C write(*,'(A,F10.6)')'Molecular fraction ([SiO2])= ',N_1 write(*,'(A,F10.6)')'Molecular fraction ([CaO])= ',N_2 write(*,'(A,F10.6)')'Molecular fraction ([Al2O3])= ',N_3 write(*,'(A,F10.6)')'Molecular fraction ([MgO])= ',N_4 write(*,'(A,F10.6)')'Molecular fraction ([B2O3])= ',N_5 write(*,'(A,F10.6)')'Molecular fraction ([TiO2])= ',N_6 write(*,'(A,F10.6)')'Molecular fraction ([Na2O])= ',N_7 write(*,'(A,F10.6)')'Molecular fraction ([K2O])= ',N_8 write(*,'(A,F10.6)')'Molecular fraction ([Fe2O3])= ',N_9 write(*,'(A,F10.6)')'Molecular fraction ([F2])= ',N_10 C Z_eff_d = N_1*Z_1 + N_2*Z_2 + N_3*Z_3 + N_4*Z_4 & + N_5*Z_5 + N_6*Z_6 + N_7*Z_7 + N_8*Z_8 & + N_9*Z_9 + N_10*Z_10 ln_I_eff_alt = (N_1*Z_1*log(I_SiO2) + N_2*Z_2*log(I_CaO) & + N_3*Z_3*log(I_Al2O3)+ N_4*Z_4*log(I_MgO) & + N_5*Z_5*log(I_B2O3) + N_6*Z_6*log(I_TiO2) & + N_7*Z_7*log(I_Na2O) + N_8*Z_8*log(I_K2O) & + N_9*Z_9*log(I_Fe2O3)+ N_10*Z_10 *log(I_F2) & )/Z_eff_d I_eff_alt = exp(ln_I_eff_alt) write(*,'(A18,F10.5,A5)')'I_eff_alt = ',I_eff_alt,' (eV)' write(*,'(A18,F10.5)')'A_eff_d = ',A_eff_d write(*,'(A18,F10.5)')'Z_eff_d = ',Z_eff_d write(*,'(A18,F10.5)')'Z_eff_d/A_eff_d = ',Z_eff_d/A_eff_d C w_Si = ( NSi_1)*A_Si/A_eff_d w_Ca = (N_2 *NCa_2)*A_Ca/A_eff_d w_Al = (N_3 *NAl_3)*A_Al/A_eff_d w_Mg = (N_4 *NMg_4)*A_Mg/A_eff_d w_B = (N_5 *NB_5) *A_B /A_eff_d w_Ti = (N_6 *NTi_6)*A_Ti/A_eff_d w_Na = (N_7 *NNa_7)*A_Na/A_eff_d w_K = (N_8 *NK_8) *A_K /A_eff_d w_Fe = (N_9 *NFe_9)*A_Fe/A_eff_d w_F = (N_10*NF_10)*A_F /A_eff_d w_O = (NO_1 + N_2*NO_2 + N_3*NO_3 + N_4*NO_4 + N_5*NO_5 & + N_6*NO_6 + N_7*NO_7 + N_8*NO_8 + N_9*NO_9 )*A_O /A_eff_d C write(*,'(A,F10.6)')'Mass fraction (Si)= ',w_Si write(*,'(A,F10.6)')'Mass fraction (Ca)= ',w_Ca write(*,'(A,F10.6)')'Mass fraction (Al)= ',w_Al write(*,'(A,F10.6)')'Mass fraction (Mg)= ',w_Mg write(*,'(A,F10.6)')'Mass fraction (B)= ',w_B write(*,'(A,F10.6)')'Mass fraction (Ti)= ',w_Ti write(*,'(A,F10.6)')'Mass fraction (Na)= ',w_Na write(*,'(A,F10.6)')'Mass fraction (K)= ',w_K write(*,'(A,F10.6)')'Mass fraction (Fe)= ',w_Fe write(*,'(A,F10.6)')'Mass fraction (F)= ',w_F write(*,'(A,F10.6)')'Mass fraction (O)= ',w_O C N_O=1.D0 A_eff = A_O/w_O N_Si = A_eff*w_Si/A_Si N_Ca = A_eff*w_Ca/A_Ca N_Al = A_eff*w_Al/A_Al N_Mg = A_eff*w_Mg/A_Mg N_B = A_eff*w_B /A_B N_Ti = A_eff*w_Ti/A_Ti N_Na = A_eff*w_Na/A_Na N_K = A_eff*w_K /A_K N_Fe = A_eff*w_Fe/A_Fe N_F = A_eff*w_F /A_F C write(*,'(A,F10.6)')'Atomic fraction (O)= ',N_O write(*,'(A,F10.6)')'Atomic fraction (Si)= ',N_Si write(*,'(A,F10.6)')'Atomic fraction (Ca)= ',N_Ca write(*,'(A,F10.6)')'Atomic fraction (Al)= ',N_Al write(*,'(A,F10.6)')'Atomic fraction (Mg)= ',N_Mg write(*,'(A,F10.6)')'Atomic fraction (B)= ',N_B write(*,'(A,F10.6)')'Atomic fraction (Ti)= ',N_Ti write(*,'(A,F10.6)')'Atomic fraction (Na)= ',N_Na write(*,'(A,F10.6)')'Atomic fraction (K)= ',N_K write(*,'(A,F10.6)')'Atomic fraction (Fe)= ',N_Fe write(*,'(A,F10.6)')'Atomic fraction (F)= ',N_F C Z_eff = N_O*Z_O & + N_Si*Z_Si + N_Ca*Z_Ca + N_Al*Z_Al & + N_Mg*Z_Mg + N_B *Z_B + N_Ti*Z_Ti & + N_Na*Z_Na + N_K *Z_K + N_Fe*Z_Fe & + N_F *Z_F ln_I_eff = (N_O *Z_O *log(I_O) + N_Si*Z_Si*log(I_Si) & + N_Ca*Z_Ca*log(I_Ca) + N_Al*Z_Al*log(I_Al) & + N_Mg*Z_Mg*log(I_Mg) + N_B *Z_B *log(I_B) & + N_Ti*Z_Ti*log(I_Ti) + N_Na*Z_Na*log(I_Na) & + N_K *Z_K *log(I_K) + N_Fe*Z_Fe*log(I_Fe) & + N_F *Z_F *log(I_F))/Z_eff I_eff = exp(ln_I_eff) write(*,'(A18,F10.5,A5)')'I_eff = ',I_eff,' (eV)' write(*,'(A18,F10.5)')'A_eff = ',A_eff write(*,'(A18,F10.5)')'Z_eff = ',Z_eff write(*,'(A18,F10.5)')'Z_eff/A_eff = ',Z_eff/A_eff C recip_L_rad=w_O /L_O + w_Si/L_Si + w_Ca/L_Ca + w_Al/L_Al & + w_Mg/L_Mg + w_B /L_B + w_Ti/L_Ti + w_Na/L_Na & + w_K /L_K + w_Fe/L_Fe + w_F /L_F L_rad=1.D0/recip_L_rad write(*,'(A18,F10.5,A9)')'L_rad = ',L_rad,' (g/cm^2)' C Z_avr = Z_O *w_O + Z_Si*w_Si + Z_Ca*w_Ca + Z_Al*w_Al & + Z_Mg*w_Mg + Z_B *w_B + Z_Ti*w_Ti + Z_Na*w_Na & + Z_K *w_K + Z_Fe*w_Fe + Z_F *w_F A_avr = A_O *w_O + A_Si*w_Si + A_Ca*w_Ca + A_Al*w_Al & + A_Mg*w_Mg + A_B *w_B + A_Ti*w_Ti + A_Na*w_Na & + A_K *w_K + A_Fe*w_Fe + A_F *w_F A_avr_d = Z_avr/(Z_eff/A_eff) write(*,'(A18,F10.5)')' = ',A_avr write(*,'(A18,F10.5,A21)')' = ',A_avr_d, & ' <- /(Z_eff/A_eff)' write(*,'(A18,F10.5)')' = ',Z_avr return end