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celine, 31 Mar 2015 12:38

Covered IsGISAXS functionality

IsGISAXS examples

Examples from IsGISAXS software package bundle - 15 examples, 26 tests totally.

Example Description N tests Status
ex-1 Two types of islands (cylinder, prism3) on top of substrate.
No interference function
1/1 OK
ex-2 Bimodal cylinders on top of substrate.
Two gaussian size cylinder distribution
1/1 OK
ex-3 Cylinder formfactor in BA and DWBA
4/5 OK
ex-4 1D and 2D paracrystal
2/2 OK
ex-5 1D paracrystal fit example
1/1 OK
ex-6 2D lattice with different disorder
4/4 OK
ex-7 Mixture of different particles defined in morphology file
1/1 OK
ex-8 2DDL paracrystal
2/2 OK
ex-9 Pyramids on top of substrate
Rotated pyramids on top of substrate
2/2 OK
ex-10 Cylinders with interference on top of substrate
1/1 OK
ex-11 Core shell nano particles
1/1 OK
ex-12 Constrained fit example
Mixture of two cylinder types
1/1 OK
ex-13 Simulated annealing fit example
0/1 OK
ex-14 Layered spheres on graded interface
ex-15 Size spacing correlation approximation
1/1 OK

IsGISAXS form factors

Status: 19 out of 21

Form factor Status Comments
1 Anisotropic Pyramid OK
2 Box OK
3 Cone OK
4 Cone6 OK
5 Cuboctahedron OK
6 Cylinder OK
7 Ellipsoidal Cylinder OK
8 Full Sphere OK
9 Full Spheroid OK
10 Hemi Ellipsoid OK
11 Infinitely Long Box OK
12 Infinitely Long Ripple1 ~
13 Infinitely Long Ripple2 ~
14 Prism3 OK
15 Prism6 OK
16 Pyramid OK
17 Ripple1 OK
18 Ripple2 OK
19 Tetrahedron OK
20 Truncated Cube
20 Truncated Sphere OK
21 Truncated Spheroid OK

Interference functions

Description Status Comments
1 No interference OK
1 decoupling approximation OK
1 local mono disperse approximation OK
1 size spacing approximation OK

Pair correlation functions

Description Status Comments
1 The Debye hard core
2 The gaussian
3 The Lennard-Jonnes
4 The gate pair correlation
5 The Debye hard core with power-law decrease
6 The Zhu pair correlation function
7 The Venables pair correlation function
8 The bidimensional hard core pair function.

Other IsGISAXS features

form factor Status Comments
1 Polarization
1 DWBA on the graded interface
1 Linear interpolation of data before fitting
1 Correlation of H,R,W size of particles
1 Ability to average over beam spread

Found IsGISAXS bugs

  • Ex-14, form factor of sphere
    For factor of Sphere with H=2R should be exactly as formfactor of FullSphere, it is not so.
    Probably due to numeric instability during integration