# An Integrated Software for Computing Mechanical Properties of Crystalline Material by Means of XRD  
[PERSON]  
1 Faculty of Engineering and Technology, Pham Van Dong University, Quang Ngai 570000, Vietnam;  
[EMAIL_ADDRESS]  
[PERSON]  
2 Faculty of Engineering Maritime College No.2, Ho Chi Minh 700000, Vietnam;  
[EMAIL_ADDRESS]  
[PERSON]  
3 Faculty of Mechanical Engineering, HCMC University of Technology and Education,  
Ho Chi Minh 700000, Vietnam;  
[EMAIL_ADDRESS]  
[PERSON]  
3 Faculty of Mechanical Engineering, HCMC University of Technology and Education,  
Ho Chi Minh 700000, Vietnam; [EMAIL_ADDRESS]  
Correspondence: [EMAIL_ADDRESS]; Tel: +84-91-3804-3803  
photons in the crystal matrix occurs in all directions, and thus functions calculated from X-ray counting, such as peak position, stress, line width, and others, are random functions and contain coherent reproducibility of measured values [13; 14].  
On the other hand, in order to obtain the correct value of X-ray intensity, and thus the accurate peak position and the full width at half of the diffraction line, the diffracted X-ray intensity must be corrected for the Lorentz-polarization and absorption factor [2; 15; 16]. The absorption factor for only the iso-inclination method (\(\Omega\)-type goniometer) using the fixed-\(\Downarrow\) method was computed and widely used [16]. However, the position-sensitive proportional counter (PSPC), in which the incident beams are fixed during the scanning process (fixed-\(\psi_{0}\) method), is used more widely. Moreover, to increase the diffraction angle 20 up to approximately 170\({}^{\circ}\) and the inclination angle \(\Downarrow\) up to approximately 165\({}^{\circ}\), the side-inclination method (\(\Psi\)-type goniometer) is used. For these measurement methods, the absorption factor is still not fully derived and is not embedded in commercial X-ray systems. Furthermore, there are many methods of approximating the diffraction line to determine the diffraction peak. The choice of mathematical function to interpolate the peak diffraction greatly affected the accuracy of the measurement results. This has been reported in stress measurements using X-ray diffraction (XRD) [17; 18]. To enlarge the scope of application of XRD for various measurements in a single device, there should be a computation system that can accurately determine many material properties. In a previous study, automated controlling and calculating software using C++ and commercial MS Excel was used for determining the residual stress of polycrystalline materials [13]. 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 following measurements are carried out:  
1. Residual stress computation for the aluminum alloy A1060;
2. Surface hardness of quenched and tempered carbon steel JIS-type S50C;
3. Quantitative analysis for triple-phase carbide T15K6 containing three phases, WC, TiC, and Co;
4. Thickness measurement of the nickel-coating layer on substrate carbon steel S45C;
5. Determining grain size of the zeolite material ZSM-5.  
The demonstration measurements using X-rays and conventional methods were also compared to verify the validity of the computation and thus the applicability to the manufacturing site. All XRD measurements in this study use the X-ray characteristic CuK\(\alpha\) with a wavelength \(\lambda\) of 1.5 A and Ni foil filter. The use of a graphical user interface (GUI) also allows beginner-level programmers to easily reprogram resource codes for their individual computation.