About McStas
Conditions of use
Authors/Contacts
Project funding
Download
Components
Other Downloads (share)
Documentation
Wiki (GitHub)
McStas manual
Publications
14.130 The MCViNE_SQ_process McStas Component
Union process: Elastic isotropic scatterer with structure factor S(|Q|) (expression or table).
Identification
-
Author: Fahima Islam (McStas port of the MCViNE SQkernel; MCViNE by J. Y. Y. Lin et al.)
-
Origin: MCViNE, https://github.com/mcvine/mcvine (mccomponents/lib/kernels/sample/SQkernel.cc (+ GridSQ, SQ_fromexpression))
-
Date: 2026-09-29
Description
Elastic scattering with angular distribution given by S(|Q|), for liquids, glasses or powder-averaged diffuse scattering. S(Q) is either an expression in Q or a 2-column text file (Q [Å^-1], S), linearly interpolated (0 outside).
Functions are given as strings evaluated at run time (MCViNE uses fparser): + - * / ^ (or **), % , comparisons, && ||, if(c,a,b), sin cos tan asin acos atan sinh cosh tanh exp log log10 log2 sqrt abs floor ceil int sign cbrt, pow atan2 min max hypot fmod, constants pi and e.
Union process. Part of the Union components: define this process, collect it into a material with Union_make_material (absorption is set there with my_absorption, the absorption inverse penetration depth at 2200 m/s), assign the material to Union_box/Union_cylinder/Union_sphere/Union_mesh geometries, and add a Union_master after them. Geometry, attenuation and multiple scattering are handled by Union_master; this component provides the MCViNE kernel: the scattering coefficient and the final-state sampling (weight). Isotropic process (powder/liquid-like); rotation is irrelevant. The kernel code is shared with the standalone component MCViNE_SQ (mcvine-lib.c). Uses share/mcvine-lib.h/.c and share/mcvine-union-lib.h/.c; the process type MCViNE is declared in share/union-lib.h and registered with Union_master in share/mcvine-union-lib.h.
Example: MCViNE_SQ_process(SQ="1+sin(Q*3)/(Q*3)", Qmin=0, Qmax=20, scattering_coefficient=10)
Input parameters
Parameters in boldface are required; the others are optional.
|
Name |
Unit |
Description |
Default |
|
|
|||
|
SQ |
str |
S(Q) expression (ignored if SQ_file given) |
"1" |
|
SQ_file |
str |
2-column file Q S |
0 |
|
Qmin |
Å\(^{-1}\) |
Lower Q bound |
0 |
|
Qmax |
Å\(^{-1}\) |
Upper Q bound |
100 |
|
scattering_coefficient |
m\(^{-1}\) |
Scattering coefficient (inverse penetration depth for scattering) |
0 |
|
sigma_scat |
barn |
Alternative: scattering cross section per unit cell (used when Vc>0) |
0 |
|
Vc |
Å\(^{3}\) |
Unit cell volume; when >0 the coefficient is sigma_scat/Vc |
0 |
|
packing_factor |
1 |
Packing factor (scales the scattering coefficient) |
1 |
|
interact_fraction |
1 |
Union: fraction of interactions forced to this process (-1: by cross section) |
-1 |
|
init |
string |
Deprecated and unused, accepted like on the other Union components (see Union_init). |
"" |
|
|
|||
|
|
|||
|
|
|||
Links
-
Component source code found in file MCViNE_SQ_process.comp.
-
MCViNE documentation: https://mcvine.github.io
