CrystalDiffract lets you simulate the effective of isotropic particle size, and strain, for individually-selected patterns. These factors both affect the width of diffraction peaks, but in different ways:
There is a reciprocal relationship betwen the size of crystal particles ("crystallites"), and the widths of diffraction peaks: larger particles give narrower peaks than finer ones.
A strained crystal (summarized by its percent strain) can be thought of as containing regions with slightly different unit cell dimensions, resulting in a variation of peak positions, and hence a slightly "blurred" diffraction pattern.
Do the following:
Locate the diffraction patterns you wish to modify in the Patterns List, and select them.
Locate the Particle Size & Strain group in the Parameters Inspector and adjust the Particle Size slider or text field.
Do the following:
Locate the diffraction patterns you wish to modify in the Patterns List, and select them.
Locate the Particle Size & Strain group in the Parameters Inspector and adjust the Iso Strain slider or text field.
See also