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 (for plotting only) a constant offset factor together with the the diffraction peaks (with the chosen FWHM) of the respective lattice. Note, no multiplicities 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
R
_{g}
Author:
M.Kriechbaum
, TU-Graz (2024), e-mail:
manfred.kriechbaum@tugraz.at