COMPARISON OF SIMULATED AND EXPERIMENTAL XRPD PATTERNS OF SILVER WITH TWIN FAULTS USING MAUD AND DIFFaX

A comparison of the X-ray powder diffraction (XRPD) patterns of face-centered cubic silver with twin faults simulated with the DIFFaX and MAUD computer programs is presented. MAUD was used to refine the DIFFaX-simulated patterns to determine systematic differences between these simulation programs. The results indicated the Warren model of twin faults is applicable for fault probabilities <10% and DIFFaX and MAUD fault probabilities are different by a constant factor of four. Experimental patterns of nanocrystalline silver with twin faults were assessed using a graphical method to determine the twin-fault probability and crystal size. The results of the graphical method agreed well with the probability and size determined using MAUD. The sizes determined by these methods were consistent with particle sizes measured by light scattering and electron microscopy.