Scattering/Diffraction calculator of concentric 3D/2D/1D shell model in a 3D/2D/1D lattice

This Javascript calculates the form factor I(q) or F(q) of concentric shell models - sphere, disc (cross-section of long rods) or rod (thickness of large discs) - and the diffraction pattern when placed in a 1D lamellar, 2D hexagonal or square, 3D cubic lattice. Enter the dimension (1/2/3), number of radii, the values for the radius R(i) and its electron-density c(i) (between R(i) and R(i-1)), the d-spacing and the nummber of diffraction peaks (up to 20) of the lattice. The form factor - I(q), logI(q) or F(q) - and the 1D-diffraction (XRD)-pattern will be plotted (neglecting multiplicities and douplets/triplets of the diffraction peaks). Units are arbitrary but reciprocal in scattering and real space.

Input q, F(q)/I(q) Plot
shells 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 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