diff --git a/2_TEM/tem2dsc.m b/2_TEM/tem2dsc.m deleted file mode 100644 index 00b8f6f..0000000 --- a/2_TEM/tem2dsc.m +++ /dev/null @@ -1,96 +0,0 @@ -clear - -load('A1_loop_dia.mat') - -%% Calculating the energy per loop in Ti. - -R=1E-9*mean(A1)/2; % m, average radius of dislocation loop. -G=45E9; % N/m^2, shear modulus. -b=0.295E-9; % m, Burgers vector. -nu=0.37; % Poisson's ratio. -alpha=1.25; % between 0.5-2, dislocation core parameter, H+L p.232. -expy=1.17; % between 1.13-1.21 in metals. See Hirth + Lothe p.161. -gammab=0.145E-3; % J/m^2, prismatic plane generalized SFE. - -circumference=2*pi*R; % m, circumference of dislocation loop. -area=pi*R^2; % m^2, area of dislocation loop. - -eperlength=((G*b^2)/(4*pi*(1-nu)))*(log((4*R)/((b*expy)/(2*alpha)))-1); % J/m, energy per length. -eperlength_eV_nm=1E-9*eperlength/(1.6E-19); % eV/nm, energy per length. - -e_line=circumference*eperlength; % J, loop line energy. -e_area=area*gammab; % J, loop stacking fault energy. -e_area_eV=e_area/1.6E-19; % eV, loop stacking fault energy. - -e_tot_J=e_line+e_area; % J / loop, total energy per dislocation loop. -e_tot_eV=e_tot_J/1.6E-19; % eV / loop, total energy per dislocation loop. - - -%% Calculate the number density of dislocation loops from DSC. - -dscpeak1=0.36; % J/g, stored energy in ROI 1 from DSC. - -massdensity=4.5E6; % g/m^3 -atomicmass=47.867; % g/mole -mole=6.02E23; % atoms/mole -numberdensity=massdensity*mole/atomicmass; % atoms/m^3 - -loopdensity=dscpeak1*massdensity/e_tot_J; % = 1.19E22 /m^3 - - -%% Calculate loop energy & density from INL TEM number density of loops. - -inldensity=3.97E21; % /m^3 ± -inlenergy=inldensity*e_tot_J/massdensity % = 0.120 J/g ***** - - -%% Calculate upper limit of loop energy - -% Different values -max_R=1E-9*(mean(A1)+std(A1)/sqrt(size(A1,1)))/2; % m, average radius of dislocation loop. -max_alpha=2; % between 0.5-2, dislocation core parameter, H+L p.232. -max_expy=1.13; % between 1.13-1.21 in metals. See Hirth + Lothe p.161. -max_gammab=0.17E-3; % J/m^2, prismatic plane generalized SFE. -max_inldensity=inldensity/0.81; % Thickness/mean free path accuracy ± 19% - -max_circumference=2*pi*max_R; % m, circumference of dislocation loop. -max_area=pi*max_R^2; % m^2, area of dislocation loop. - -max_eperlength=((G*b^2)/(4*pi*(1-nu)))*(log((4*max_R)/((b*max_expy)/(2*max_alpha)))-1); % J/m, energy per length. -max_eperlength_eV_nm=1E-9*max_eperlength/(1.6E-19); % eV/nm, energy per length. - -max_e_line=max_circumference*max_eperlength; % J, loop line energy. -max_e_area=max_area*max_gammab; % J, loop stacking fault energy. -max_e_area_eV=max_e_area/1.6E-19; % eV, loop stacking fault energy. -max_e_tot_J=max_e_line+max_e_area; % J / loop, total energy per dislocation loop. -max_e_tot_eV=max_e_tot_J/1.6E-19; % eV / loop, total energy per dislocation loop. - -max_inlenergy=max_inldensity*max_e_tot_J/massdensity % = 0.170 J/g ***** -inlenergy_pluserror=max_inlenergy-inlenergy % = 0.050 J/g ***** - - -%% Calculate lower limit of loop energy - -% Different values -min_R=1E-9*(mean(A1)-std(A1)/sqrt(size(A1,1)))/2; % m, average radius of dislocation loop. -min_alpha=0.5; % between 0.5-2, dislocation core parameter, H+L p.232. -min_expy=1.21; % between 1.13-1.21 in metals. See Hirth + Lothe p.161. -min_gammab=0.12E-3; % J/m^2, prismatic plane generalized SFE. -min_inldensity=inldensity/1.19; % Thickness/mean free path accuracy ± 10% - -min_circumference=2*pi*min_R; % m, circumference of dislocation loop. -min_area=pi*min_R^2; % m^2, area of dislocation loop. - -min_eperlength=((G*b^2)/(4*pi*(1-nu)))*(log((4*min_R)/((b*min_expy)/(2*min_alpha)))-1); % J/m, energy per length. -min_eperlength_eV_nm=1E-9*min_eperlength/(1.6E-19); % eV/nm, energy per length. - -min_e_line=min_circumference*min_eperlength; % J, loop line energy. -min_e_area=min_area*min_gammab; % J, loop stacking fault energy. -min_e_area_eV=min_e_area/1.6E-19; % eV, loop stacking fault energy. -min_e_tot_J=min_e_line+min_e_area; % J / loop, total energy per dislocation loop. -min_e_tot_eV=min_e_tot_J/1.6E-19; % eV / loop, total energy per dislocation loop. - -min_inlenergy=min_inldensity*min_e_tot_J/massdensity % = 0.077 J/g ***** -inlenergy_minuserror=inlenergy-min_inlenergy % = 0.043 J/g ***** - -avg_inlenergy_error=(inlenergy_pluserror+inlenergy_minuserror)/2 % = 0.047 J/g *****