\(\renewcommand\AA{\unicode{x212B}}\)
LeadPressureCalc v1¶
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 |
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