[ Identification | Description | Input parameters | Links ]

The MCViNE_SQ Component

Elastic isotropic scatterer with structure factor S(|Q|) (expression or table).

Identification

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 [AA^-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.

Transport (same as MCViNE HomogeneousNeutronScatterer): on the first
passage the neutron is forced to scatter at a uniformly chosen depth, weighted
by path length, attenuation exp(-(mu+sigma)x) and the scattering coefficient;
on exit it is attenuated by exp(-(mu+sigma)L_out). With order>1 further
scatterings are sampled analogically (truncated exponential). With
p_transmit>0 that fraction of events is kept as the attenuated direct beam.
mu(v) = absorption_coefficient*2200/v. Events for which the kernel cannot
scatter (kinematically forbidden) are absorbed.

Geometry: box (xwidth,yheight,zdepth), cylinder (radius,yheight), hollow
cylinder (+thickness) or sphere (radius only). All vectors (Q, targets,
reciprocal vectors, atom positions) are in the component's local frame.

Uses the shared runtime share/mcvine-lib.h/.c.

Example: MCViNE_SQ(SQ="1+sin(Q*3)/(Q*3)", Qmin=0, Qmax=20, scattering_coefficient=10, radius=0.01, yheight=0.05)

Input parameters

Parameters in boldface are required; the others are optional.
NameUnitDescriptionDefault
SQstrS(Q) expression (ignored if SQ_file given)"1"
SQ_filestr2-column file Q S0
QminAA^-1Lower Q bound0
QmaxAA^-1Upper Q bound100
absorption_coefficientm^-1Absorption coefficient at 2200 m/s (MCViNE convention; scales as 1/v)0
scattering_coefficientm^-1Scattering coefficient0
sigma_absbarnAlternative: absorption cross section per unit cell at 2200 m/s (used when Vc>0)0
sigma_scatbarnAlternative: scattering cross section per unit cell (used when Vc>0)0
VcAA^3Unit cell volume; when >0, coefficients are computed from sigma_abs, sigma_scat0
radiusmOuter radius of a cylinder (with yheight) or of a sphere (yheight=0)0
xwidthmWidth of a box sample0
yheightmHeight of a box or cylinder sample0
zdepthmDepth of a box sample0
thicknessmWall thickness of a hollow cylinder (0: filled)0
pack1Packing factor (scales absorption and scattering coefficients)1
p_transmit1Monte Carlo fraction of events kept as unscattered transmitted beam (0: always scatter)0
order1Maximum number of scattering events per neutron (1: single scattering)1
AT ( , , ) RELATIVE
ROTATED ( , , ) RELATIVE

Links


[ Identification | Description | Examples | Input parameters | Links ]

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