Mike Mohseni

I have semi-manuallly inserted in Claude AI values for iron carbide from Pasi Paalanen oper works. Script (as is ) here: % Physical constants and parameters mu_N = 5.0507866e-27; % Nuclear magneton in J/T k_B = 1.380649e-23; % Boltzmann constant in J/K T = 300; % Temperature in Kelvin (room temperature by default) % Constants for 57Fe Mössbauer spectroscopy E_gamma = 14.4e3 * 1.602176634e-19; % Energy of Mössbauer transition for 57Fe in Joules c = 299792458; % Speed of light in m/s % Calculate the hyperfine field to velocity conversion factor conversion_factor = (mu_N * c) / (E_gamma); fprintf('Hyperfine field to velocity conversion factor: %.4f mm/s/T\n', conversion_factor * 1000); % Define the velocity range (x-axis) v = linspace(-12, 12, 1000); % velocity in mm/s % Define parameters for different iron phases % Format: [B_hf1, B_hf2, relative_intensity1, relative_intensity2] phases = struct(); phases.iron = [33, 0, 1, 0]; phases.epsilon = [24.4, 0, 1, 0]; phases.eta = [17.2, 21.4, 0.5, 0.5]; phases.chi = [18.1, 10.9, 0.5, 0.5]; phases.theta = [20.8, 22.9, 0.5, 0.5]; % Plot the spectra figure; hold on; colors = {'k', 'r', 'g', 'b', 'm'}; phase_names = fieldnames(phases); for i = 1:length(phase_names)   phase = phase_names{i};   params = phases.(phase);   I = generate_spectrum(v, params(1), params(2), params(3), params(4));   plot(v, I, colors{i}, 'LineWidth', 2); end xlabel('Velocity (mm/s)'); ylabel('Relative Transmission'); title('Mössbauer Spectra of Iron and Iron Carbides'); legend('Pure Iron', 'ε-carbide', 'η-carbide', 'χ-carbide', 'θ-carbide', 'Location', 'southeast'); grid on; xlim([-12 12]); ylim([0 1.0]); % Function to generate Mössbauer spectrum function I = generate_spectrum(v, B_hf1, B_hf2, intensity1, intensity2)   % Generate a 6-peak spectrum for each B_hf   function I_single = single_spectrum(v, B_hf)     v0 = [-5.312 -3.076 -0.840 0.840 3.076 5.312] * (B_hf / 33); % Scale peak positions     A = [3 2 1 1 2 3];     Gamma = [0.3 0.3 0.3 0.3 0.3 0.3];     I_single = zeros(size(v));     for i = 1:6       I_single = I_single A(i) * (Gamma(i)^2 ./ ((v - v0(i)).^2 Gamma(i)^2));     end     I_single = I_single / max(I_single);   end   % Combine spectra if there are two B_hf values   if B_hf2 == 0     I = single_spectrum(v, B_hf1);   else     I = intensity1 * single_spectrum(v, B_hf1) intensity2 * single_spectrum(v, B_hf2);   end       % Normalize and invert   I = 1 - (I / max(I)); end % end Matlab Key features of this updated script: - It now generates and plots Mössbauer spectra for pure iron and the four iron carbide phases (ε, η, χ, θ) based on the data you provided. - The spectra are plotted on the same graph for easy comparison, with each phase represented by a different color. - For phases with two hyperfine field components (η, χ, θ), the script combines two sub-spectra with equal intensities. - The peak positions are scaled according to the hyperfine field strength relative to pure iron.