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
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
hex2D
squ2D
lam1D
peaks
Nr
FWHM
f
offset
F(q)
I(q)
log(I)
overlay
no overlay
R
g
Author:
M.Kriechbaum
, TU-Graz (2012), e-mail:
manfred.kriechbaum@tugraz.at