The MCViNE_Phonon_IncoherentInelastic_process Component
Union process: One-phonon incoherent inelastic scattering from a phonon DOS (incoherent approximation), optional Ef focusing.
Identification
Author: Fahima Islam (McStas port of the MCViNE phonon IncoherentInelastic / IncoherentInelastic_EnergyFocusing kernels; MCViNE by J. Y. Y. Lin et al.)
S_inc(Q,E) = exp(-2W) hbar^2Q^2/(2M) g(|E|)/|E| [n(E)+1 or n(E)] with the DOS
g(E) normalised to 1, Debye-Waller factor computed from the DOS (MCViNE
DWFromDOS), and the DOS preprocessed like MCViNE (resampled to >=500 points,
parabolic low-energy fit, normalised). The final direction is uniform over 4pi;
Ef is uniform in [Ei-Emax_dos, Ei+Emax_dos]. With dEf>0, Ef is restricted to
Ef +/- dEf/2 (MCViNE IncoherentInelastic_EnergyFocusing).
DOS file: 2 columns E [meV] g(E) (a '#...THz' comment switches the unit to THz)
or an MCViNE IDF binary 'DOS' file. Multiphonon terms are not included (see
Union IncoherentPhonon_process or NCrystal for those).
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_Phonon_IncoherentInelastic (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_Phonon_IncoherentInelastic_process(dos="MCViNE/Debye_dos.dat", T=300, average_mass=50.94, sigma_inc=10.1, Vc=27.6)
Input parameters
Parameters in boldface are required;
the others are optional.
Name
Unit
Description
Default
dos
str
Phonon DOS file
0
T
K
Temperature
300
average_mass
amu
Average atomic mass
0
Ef
meV
Final energy for energy focusing (used when dEf>0)
0
dEf
meV
Full width of the final-energy window; 0 disables focusing
0
sigma_inc
barn
Incoherent scattering cross section per unit cell
0
Vc
AA^3
Unit cell volume
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).
""
AT (
,
,
) RELATIVE
ROTATED (
,
,
) RELATIVE
Links
Source code for MCViNE_Phonon_IncoherentInelastic_process.comp.