Scattering/diffraction calculator of concentric 3D/2D/1D shell models in a 3D/2D/1D lattice

This Javascript calculates the scattering curve I(q) of concentric shell models: sphere, disc (cross-section of long rods) or rod (thickness of large discs) arranged in a 1D (lamellar), 2D (square or hexagonal) or 3D (spacegroup 221 or 225 or 229) lattice. Enter the number of radii, the values for the radius R(i) and its electron-densities c(i) (between R(i) and R(i-1)) and the lattice spacing d. The intensities I(q) or amplitudes F(q) of the scattering curve for the spherical model (D=3) or of the cross-section (2D) or of the thickness (1D) will be calculated for Nr q-values from q = 0 to the max nth peak (up to 20) with a scaling factor f and an offset factor together with the the diffraction peaks (with the chosen FWHM) of the respective lattice. Note, no mutiplicities nor Lorentz corrections are applied to the values of the diffraction peaks. The values are listed in I(q) (or F(q)) vs q (where I(q) can be lin or log, respectively) in arbitrary units and can be copied and pasted from the text-window into any text-file for further processing and graphical displaying. The plot itself can be saved as a png-image file (see options by placing cursor on plot).

Input h*h+k*k+l*l, q, F(q)/I(q)/log(I) Plot
 shells 10 9 8 7 6 5 4 3 2 1 d-spac R(1) c(1) R(2) c(2) R(3) c(3) R(4) c(4) R(5) c(5) R(6) c(6) R(7) c(7) R(8) c(8) R(9) c(9) R(10) c(10) dim cub3D-221 cub3D-225 cub3D-229 hex2D squ2D lam1D peaks

 Nr FWHM f offset F(q) I(q) log(I) overlay no overlay Rg

Author: M.Kriechbaum, TU-Graz (2012), e-mail: manfred.kriechbaum@tugraz.at