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SetSampleMaterial v1

../_images/SetSampleMaterial-v1_dlg.png

SetSampleMaterial dialog.

Properties

Name Direction Type Default Description
InputWorkspace InOut Workspace Mandatory The workspace with which to associate the sample
ChemicalFormula Input string   The chemical formula, see examples in documentation
AtomicNumber Input number 0 The atomic number
MassNumber Input number 0 Mass number if ion (use 0 for default mass number)
SampleNumberDensity Input number Optional This number density of the sample in number of atoms or formula units per cubic Angstrom will be used instead of calculated
SampleEffectiveNumberDensity Input number Optional Defines the effective number density of the sample, which is related to the number density and packing fraction.
SamplePackingFraction Input number Optional Defines the packing fraction of the sample which can be used to calculate the number density and the effective number density
ZParameter Input number Optional Number of formula units in unit cell
UnitCellVolume Input number Optional Unit cell volume in Angstoms^3. Will be calculated from the OrientedLattice if not supplied.
CoherentXSection Input number Optional This coherent cross-section for the sample material in barns will be used instead of tabulated
IncoherentXSection Input number Optional This incoherent cross-section for the sample material in barns will be used instead of tabulated
AttenuationXSection Input number Optional This absorption cross-section for the sample material in barns will be used instead of tabulated
ScatteringXSection Input number Optional Optional: This total scattering cross-section (coherent + incoherent) for the sample material in barns will be used instead of tabulated
AttenuationProfile Input string   The path name of the file containing the attenuation profile. Allowed extensions: [‘.dat’]
XRayAttenuationProfile Input string   The path name of the file containing the Xray attenuation profile. Allowed extensions: [‘.dat’]
SampleMassDensity Input number Optional Measured mass density in g/cubic cm of the sample to be used to calculate the effective number density.
SampleMass Input number Optional Measured mass in g of the sample. This is used with the SampleVolume to calculate the number density.
SampleVolume Input number Optional Measured volume in gm^3 of the sample. This is used with the SampleMass to calculate the number density.
NumberDensityUnit Input string Atoms Choose which units SampleNumberDensity referes to. Allowed values: [‘Atoms’, ‘Formula Units’]

Description

Sets the neutrons information in the sample. You can either enter details about the chemical formula or atomic number, or you can provide specific values for the attenuation and scattering cross sections and the sample number density. If you provide a chemical formula or atomic number, the cross sections will be calculated from a database. If you decide to provide specific cross sections, they will override the tabulated ones. For details of how the various quantities are calculated, refer to the Materials concept page.

Note

It is recommended that you use SetSample instead.

Categories: AlgorithmIndex | Sample

Source

C++ header: SetSampleMaterial.h (last modified: 2021-03-31)

C++ source: SetSampleMaterial.cpp (last modified: 2021-03-31)