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# SetSampleMaterial v1¶

## Summary¶

Sets the neutrons information in the sample.

## 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