Abstract
An integrated software for calculating the major mechanical properties of materials was newly programmed. The material mechanical properties are determined from a peak position and the broadness of X-ray diffraction (XRD) line using profile function method, including Gaussian, Parabola, Half-width, and Centroid. The X-ray diffraction line in software is also corrected by the generalized X-ray absorption function. The results show that the precision coefficient (R2) of the dhkl-sin2 ψ linear regression depends on tested materials and the method of the 2θ determination. The Parabola and Gaussian methods show greater fitting accuracy in comparison to the other two methods in determining stress. The mechanical properties calculated using this software agreed well with the values determined from the conventional methods. In addition, this XRD software also allows computing the 95% confidential limits of the results from a single measurement without conducting repetitive measurements. Therefore, the new software allows widening the experimental scopes of an X-ray diffraction device in both laboratories and the industrial sector.
Highlights
Since they were discovered in 1890, X-rays and the techniques using X-ray diffraction [1,2] have shown great progress and have seen a variety of applications in industry because of their advantages over other nondestructive techniques
This is because the diffraction of photons in the crystal matrix occurs in all directions, and functions calculated from
Figure shows the display for choosing methods peak position determination, and the correction factors used for stress computation
Summary
Since they were discovered in 1890, X-rays and the techniques using X-ray diffraction [1,2] have shown great progress and have seen a variety of applications in industry because of their advantages over other nondestructive techniques They can evaluate many mechanical properties including stress [2,3,4], crystalline grain size [5], phase composition analysis [6,7], hardness [8], the thickness of plating or coating layer [9,10], etc. This research represents a new computation program for polycrystalline materials that determines their properties using XRD, with total integration of absorption factors and mathematical function for the correction of diffraction lines. It can evaluate common mechanical properties in industry. The use of a graphical user interface (GUI) allows beginner-level programmers to reprogram resource codes for their individual computation
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