\(\renewcommand\AA{\unicode{x212B}}\)

LeadPressureCalc v1

../_images/ImageNotFound.png

Enable screenshots using DOCS_SCREENSHOTS in CMake

Summary

Find the pressure of a sample given the dSpacing of the lead peak at 111.

Properties

Name

Direction

Type

Default

Description

DSpacing

Input

number

2.8589

Position of (111) reflection in dSpacing

T

Input

number

300

Sample temperature in K

TargetPressure

Input

number

0

Optional: search for (111) position for a given pressure (GPa) and temperature, leave at default value to disable.

OutputWorkspace

Output

TableWorkspace

LeadPressureCalcResults

Name of Output Table workspace holding the values

Description

This algorithm uses Equations of state for Lead (111) to calculate the pressure of a given sample. The required inputs are the dSpacing (A) of the Lead (111) Bragg peak and the reference temperature (K).

Optionally, a further input of Target pressure (GPa) can be given, which will find the corresponding dSpacing for the pressure at the provided reference temperature.

Usage

Example:

from mantid.simpleapi import LeadPressureCalc

LeadPressureCalc(dSpacing=2.85, T=312, TargetPressure=0.0043)

References

The Equations of State and fit parameters used in this calculation can be found in:

Fortes, A. D. (2019). A revised equation of state for in situ pressure determination using fcc-Pb (0 < P < 13 GPa, T > 100 K)

RAL Technical Report, RAL-TR-2019-002 # https://epubs.stfc.ac.uk/work/40740875

Categories: AlgorithmIndex | Diffraction\Calibration

Source

Python: LeadPressureCalc.py