We report on a comparison of methods based on XRD patterns for calculating crystal size. In this case, XRD peaks were extracted from hydroxyapatite obtained from cow, pig, and chicken bones. Hydroxyapatite was synthesized through the thermal treatment of natural bones at 950 °C. XRD patterns were selected by adjustment of X-Pert software for each method and for calculating the size of the crystals. Methods consisted of Scherrer (three models), Monshi–Scherrer, three models of Williamson–Hall (namely the Uniform Deformation Model (UDM), the Uniform Stress Deformation Model (USDM), and the Uniform Deformation Energy Density Model (UDEDM)), Halder–Wanger (H-W), and the Size Strain Plot Method (SSP). These methods have been used and compared together. The sizes of crystallites obtained by the XRD patterns in each method for hydroxyapatite from cow, pig, and chicken were 1371, 457, and 196 nm in the Scherrer method when considering all of the available peaks together (straight line model). A new model (straight line passing the origin) gave 60, 60, and 53 nm, which shows much improvement. The average model gave 56, 58, and 52 nm, for each of the three approaches, respectively, for cow, pig, and chicken. The Monshi–Scherrer method gave 60, 60, and 57 nm. Values of 56, 62, and 65 nm were given by the UDM method. The values calculated by the USDM method were 60, 62, and 62 nm. The values of 62, 62, and 65 nm were given by the UDEDM method for cow, pig, and chicken, respectively. Furthermore, the crystal size value was 4 nm for all samples in the H-W method. Values were also calculated as 43, 62, and 57 nm in the SSP method for cow, pig, and chicken tandemly. According to the comparison of values in each method, the Scherrer method (straight line model) for considering all peaks led to unreasonable values. Nevertheless, other values were in the acceptable range, similar to the reported values in the literature. Experimental analyses, such as specific surface area by gas adsorption (Brunauer–Emmett–Teller (BET)) and Transmission Electron Microscopy (TEM), were utilized. In the final comparison, parameters of accuracy, ease of calculations, having a check point for the researcher, and difference between the obtained values and experimental analysis by BET and TEM were considered. The Monshi–Scherrer method provided ease of calculation and a decrease in errors by applying least squares to the linear plot. There is a check point for this line that the slope must not be far from one. Then, the intercept gives the most accurate crystal size. In this study, the setup of values for BET (56, 52, and 49 nm) was also similar to the Monshi–Scherrer method and the use of it in research studies of nanotechnology is advised.
Young’s modulus (E) is one of the most important parameters in the mechanical properties of solid materials. Young’s modulus is proportional to the stress and strain values. There are several experimental and theoretical methods for gaining Young’s modulus values, such as stress–strain curves in compression and tensile tests, electromagnetic-acoustic resonance, ultrasonic pulse echo and density functional theory (DFT) in different basis sets. Apparently, preparing specimens for measuring Young’s modulus through the experimental methods is not convenient and it is time-consuming. In addition, for calculating Young’s modulus values by software, presumptions of data and structures are needed. Therefore, this new method for gaining the Young’s modulus values of crystalline materials is presented. Herein, the new method for calculating Young’s modulus of crystalline materials is extracted by X-ray diffraction. In this study, Young’s modulus values were gained through the arbitrary planes such as random (hkl) in the research. In this study, calculation of Young’s modulus through the relationship between elastic compliances, geometry of the crystal lattice and the planar density of each plane is obtained by X-ray diffraction. Sodium chloride (NaCl) with crystal lattices of FCC was selected as the example. The X-ray diffraction, elastic stiffness constant and elastic compliances values have been chosen by the X’Pert software, literature and experimental measurements, respectively. The elastic stiffness constant and Young’s modulus of NaCl were measured by the ultrasonic technique and, finally, the results were in good agreement with the new method of this study. The aim of the modified Williamson–Hall (W–H) method in the uniform stress deformation model (USDM) utilized in this paper is to provide a new approach of using the W–H equation, so that a least squares technique can be applied to minimize the sources of errors.
Natural fibers have many advantages over synthetic fibers due to their lightness, low cost, biodegradability, and abundance in nature. The demand for natural fiber hybrid composites in various applications has increased recently, because of its promising mechanical properties. In this research work, the mechanical and wettability properties of reinforced natural fiber epoxy resin hybrid composites were investigated. The main aim of this research work is the fabrication of hybrid composites and exploit its importance over individual fiber composites. The composites were fabricated based on the rule of hybridization mixture (0.4 wf) of two fibers using sets of either hemp and flax or banana and pineapple, each set with 40 wt%, as well as four single fiber composites, 40 wt% each, as reinforcement and epoxy resin as matrix material. A total of two sets (hemp/flax and banana/pineapple) of hybrid composites were fabricated by using a hand layup technique. One set as 40H/0F, 25H/15F, 20H/20F, 15H/25F, 0H/40F, and the second one as 40B/0P, 25B/15P, 20B/20P, 15B/25P, 0B/40P weight fraction ratios. The fabricated composites were allowed for testing to examine its mechanical, wettability, and moisture properties. It has been observed that, in both cases, hybrid composites showed improved mechanical properties when compared to the individual fiber composites. The wettability test was carried out by using the contact angle measurement technique. All composites in both cases, hybrid or single showed contact angle less than 90°, which is associated with the composite hydrophilic surface properties. The moisture analysis stated that all the composites responded for moisture absorption up to 96 h and then remained constant in both cases. Hybrid composites absorbed less moisture than individual fiber composites.
We present an optical laser-based method to visualize replication of microperiodic profile structures in polymers. Diffraction efficiency of diffraction gratings ͑originally produced in silicon, quartz glass, and in replicated polymer substrates͒ is measured experimentally and simulated using linear dimensions of gratings, or their replica defined by atomic force microscopy ͑AFM͒. Diffraction efficiency of the periodic structure is used to test the surface relief formation during the combined ion etching of crystalline Si ͑100͒ and replication of this structure using UV light hardening and hot embossing. The main experimental results are compared with computer simulations where the standard program ͑PCGrate-SX6.0͒ is employed. Angular dependence of relative efficiency ͑RE͒ appears a versatile tool to analyze the process of origination and replication of diffraction grating in a micrometer range. Both the shape of the grating and linear dimensions can be reconstructed by comparing experimental values of relative efficiency with the simulation results. Examples of hot embossing of different periods of diffraction gratings to the Al/polymethyl methacrylate ͑PMMA͒ on polyethylene terephthalate ͑PET͒ illustrate vitality of such approach.
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