To calculate residual stress using X-ray diffraction (XRD) data with the X'Pert HighScore Plus software, you typically follow these steps:
Data Collection: Perform your XRD experiment and collect the data using your X-ray diffractometer. Ensure that you have appropriate settings and conditions for your sample.
Data Import: After collecting the data, import it into the X'Pert HighScore Plus software. You can usually do this by selecting the option to import data from your instrument or by opening the data file directly.
Data Processing: Process the imported data to obtain the diffraction pattern. This may involve background subtraction, smoothing, or other preprocessing steps to improve the quality of the data.
Peak Fitting: Identify and fit the peaks in the diffraction pattern. X'Pert HighScore Plus typically provides tools for peak fitting, allowing you to select peaks and fit them with appropriate peak shapes (e.g., Gaussian or Lorentzian).
Stress Calculation: Once you have identified the peaks corresponding to the crystalline phases in your sample, you can use the peak positions and the known crystal structure to calculate the lattice parameters. From the lattice parameters, you can calculate the residual stress using appropriate equations, such as the Williamson-Hall method or the sin^2ψ method.
Report Generation: Finally, generate a report containing the calculated residual stress values along with any relevant experimental parameters and conditions.
For this, please refer to the preprint article link http://dx.doi.org/10.13140/RG.2.2.23849.40808, titled “Determining and quantifying chemically produced stresses in (atoms of) electronic and crystalline materials”