McXtrace - An X-ray ray-trace simulation package

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The Polycrystal Component

Polycrystal made from single crystal-like voxels

Identification

• Site:
• Author: Martin Cramer Pedersen (mcpe@nbi.dk)
• Origin: University of Copenhagen
• Date: January 2015

Description

The component creates a threedimensional grid of cubic instances of the Single_crystal-component,through
which the rays are propagated. The component relies on a list of possible orientations and stretches of the
initial unit cell and a list correlating each voxel of the polycrystal to an entry in the list of rotations
and stretches.

Example: Polycrystal( MapFile= "polycrystal_1layer_2orts.map", OrientationsFile= "stretch_2orts.orts",
ReflectionsDatafile= "GeReduced.lau", xwidth= 200e-6, yheight= 200e-6, zdepth = 50e-6,
DeltadOverd = 0.001, Mosaicity = 1, SigmaAbsorbtion  = 0.0, SigmaIncoherent = 0.0,
MaxNumberOfReflections    = 1, ProbabilityOfTransmission = 0.5,
ax = 5.6579, ay = 0.0000, az = 0.0000, bx = 0.0000, by = 5.6579, bz = 0.0000, cx = 0.0000, cy = 0.0000, cz = 5.6579 )

Input parameters

Parameters in boldface are required; the others are optional.

Name	Unit	Description	Default
MapFile	str	File describing, which orientation is found in which voxel	""
OrientationsFile	str	File describing the different orientations	""
ReflectionsDatafile	str	File describing the reflections in the relevant lattice (usually in .lau-format)	"Si.lau"
MaterialDatafile	str	File describing the scattering and absorbtion properties of the material	"Si.txt"
xwidth	m	Width of the sample	0.0
yheight	m	Height of the sample	0.0
zdepth	m	Depth of the sample	0.0
ax	AA	x-coordinate of the first internal unit cell vector in the sample	5.43
ay	AA	y-coordinate of the first internal unit cell vector in the sample	0.00
az	AA	z-coordinate of the first internal unit cell vector in the sample	0.00
bx	AA	x-coordinate of the second internal unit cell vector in the sample	0.00
by	AA	y-coordinate of the second internal unit cell vector in the sample	5.43
bz	AA	z-coordinate of the second internal unit cell vector in the sample	0.00
cx	AA	x-coordinate of the third internal unit cell vector in the sample	0.00
cy	AA	y-coordinate of the third internal unit cell vector in the sample	0.00
cz	AA	z-coordinate of the third internal unit cell vector in the sample	5.43
Mosaicity	moa	Gaussian mosaicity	3.0
MosaicityA	moa	Anisotropic mosaicity around the first unit cell vector	0.0
MosaicityB	moa	Anisotropic mosaicity around the second unit cell vector	0.0
MosaicityC	moa	Anisotropic mosaicity around the third unit cell vector	0.0
DeltadOverd	1	Statistical description of the lattice spacing	0.01
ProbabilityOfTransmission	0-1	Probability that a ray will not interact with the sample	0.01
SigmaAbsorbtion	fm^2	Absorbtion crosssection of the sample	0.0
SigmaIncoherent	fm^2	Incoherent crosssection of the sample	0.0
MaxNumberOfReflections	1	Highest number of allowed scattering events in the entire crystal - to prevent computationally expensive high-order multiple scattering. If this parameter is set to 0, all possible orders of scattering are considered.	1
Reciprocal	0/1	If this parameter is set to 0, then the lattice vectors should be given in real space. Anything else implies that the vectors are given in reciprocal space.	0
verbose	0/1	If nonzero - output more info to the console.	0

AT (	,	,		) RELATIVE		Generate
ROTATED (	,	,		) RELATIVE

Links

• Source code for Polycrystal.comp.

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[ Identification | Description | Input parameters | Links ]

Generated on mcxtrace 3.5.24

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Last Modified: Sunday, 06-Apr-2025 20:25:04 CEST