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The Size-Strain Plot (SSP) method has been modified and optimized for improved X-ray diffraction (XRD) analysis, particularly focusing on its application in probing the structural properties of pure and Ca-doped zinc oxide nanoparticles (Zn1 − xCaxO, x = 0.0: ZnO, x = 0.01: ZCa1, x = 0.03: ZCa3, x = 0.05: ZCa5). Zn1 − xCaxO nanoparticles were synthesized by a gelatin-based sol-gel method. Through rigorous experimentation and analysis, the optimized SSP method demonstrates enhanced accuracy and reliability in determining crystallite size and lattice strain. The structural properties of Zn1 − xCaxO, including crystallite size distribution and lattice strain effects, are thoroughly investigated, shedding light on the underlying mechanisms influencing ZnO's structural behavior. This refined SSP method offers valuable insights into the nanostructural characteristics of Zn1 − xCaxO, contributing to advancements in material science and nanotechnology. Also, the optical properties of the prepared samples were investigated in the UV-vis range. The results showed that adding calcium to zinc oxide with the mentioned amounts does not cause significant changes in its structure and optical properties. [ABSTRACT FROM AUTHOR]

The detailed estimation of XRD microstructural elements such as Scherrer (Sch.) size of crystallite, Williamson-Hall (WH) size of crystallite and microscopic strain was highlighted via a novel modelling approach which relies on the broadening parameters named as the experimental broadening, crystallite size broadening and strain broadening. This approach was applied on the strain aged 6063 Al-alloys which are considered one of the backbones in the applications related to energy industries and manufacturers like vehicles and planes due to their light densities, availabilities and facile in fabrication. Three divergent aged specimens deformed at different percentages 0%, 5% and 30% respectively. The XRD results through modelling approach was comparable to the Rietveld MAUD (RM) refinement approach, which was served as a comparing and confirming tool. The estimated microstructural factors as a variation of the ageing time by the broadening analysis using the novel method were in a good agreement with Rietveld analysis using MAUD software program. The behaviour of both size of crystallite and micro strain exhibits two opposite pathways via the ageing time variation including small noises until to reach 400 hours at which the mean values of both of them nearly being constant for all distorted and non-distorted specimens. [ABSTRACT FROM AUTHOR]

Thin films of pure NiO and doped with Zn are prepared by varying dopant concentration using spray pyrolysis. This paper presents the characteristics of thin films, including their structure, morphology, chemical composition, optical properties, and gas-sensing abilities. By adding 2 wt% Zn to pure NiO matrix, the film's structural, morphological, and ability to sense ammonia gas were notably changed. The Zn-doped NiO thin films were effective ammonia gas sensors with reliable performance at room temperature, making them suitable for real-time detection and monitoring of ammonia vapours. Gas-sensing studies suggest that the Zn-doped NiO thin film gas sensor can simultaneously improve stability, reproducibility, and sensitivity. Additionally, the NiO thin film of the p-type has a higher binding affinity for NH3 gas than other test gases. The 2 wt% Zn-doped NiO thin film exhibited an excellent response of 53.2 with response and recovery times of 24 and 30 s towards 25 ppm of NH3 at room temperature.

Due to its attractive properties, cubic boron nitride (c-BN) finds extensive applications in mechanical and electronic industries. The conversion of micro c-BN to nano c-BN remarkably influences the properties. This study investigates the effect of ball milling on the morphological parameters. Boron nitride was subjected to different hours of ball milling process at different rotation speeds. The crystallite size of the c-BN was measured at different ball milling time intervals, and it is observed that after 100 hours, the crystallite size decreased to nano size. The ball milling was increased to 150-175 hours to get less than 100 nm size particles. The surface morphology and elemental analysis of the samples were done using SEM and EDX studies. EDX confirmed the presence of boron and nitrogen in the sample. SEM images indicated that the agglomerated morphology of c-BN particles with irregular shape. The cubic structure was confirmed from XRD studies. Thermogravimetric analysis (TGA) conducted to determine the samples' thermal stability indicated that weight loss was observed for temperatures up to 700oC. There was no significant weight loss at a higher temperature. Stronger reflectance was observed with increased ball milling time in UV-Visible DSR studies. [ABSTRACT FROM AUTHOR]

This article reports the structural, optical, dielectric, and magnetic properties of yttrium orthoferrite (YFeO3) nanomaterials with different crystallite sizes derived from the sol–gel technique using tartaric acid as a complex agent. Different crystallite sizes (ranging from 0.4 to 2.11 μm) of YFeO3 (YFO) are fabricated by altering the sintering temperatures (in the range of 1173–1623 K) for the same duration (5 h). Rietveld refinements suggest that the different crystallite sizes of YFO exhibit a pure orthorhombic perovskite structure with the Pmna space group. It is observed that the grain size of the material increased with increasing sintering temperature. The highest magnetization value (5.078 emu g−1) is observed for the 0.89 μm size of YFO. A decrease in the optical bandgap of YFO material is observed with an increase in crystallite size. In conclusion, the optimized crystallite size is 0.89 μm for achieving the highest magnetization value of the YFO material synthesized by the sol–gel technique using tartaric acid as a chelating agent. [ABSTRACT FROM AUTHOR]

In the present study, an overview of the aspects of X-ray diffraction (XRD) in ferrite has been explored. Ferrite nanoparticles have a wide range of applications in various fields. XRD data could be used to measure the phases, crystal structure, and related parameters of ferrites. It can also determine the effect of doping and substitution on the crystal structure of the ferrite and the strain on the crystal lattice due to these variations. Cation distribution, bond length, interionic distances, bond angles, and hopping length can be calculated using XRD for the fruitful discussion of various properties of ferrite. From this study, it can be revealed that XRD is the ideal technique to elucidate not only the crystal structure but also the magnetic, electrical, optical, elastic behavior which could be explained by analyzing the XRD data systematically. [ABSTRACT FROM AUTHOR]

Lead zirconate titanate based piezoelectric ceramics 0.45Pb (Zn1/3, Sb2/3) O3-0.55Pb0.98La0.02 (Zr0.48, Ti0.52) O3 (0.45PZS-0.55PLZT) was produced using the solid-state reaction method. In order to optimize the synthesis process, the effect of various process parameters on the formation of crystalline phase and its structural properties, as the heating rate, the size of grain, maintaining time (for pre-sintering) and time mixing were studied. It was found that changing the different operating parameter conditions influences on the structural properties and crystallite size. The resulting product has a nature of tetragonal structure that does not change with the operating parameters. The lattice parameters and crystal size is strongly influenced by the various operating parameters. It was found that the optimal values are for the heating rates 4K/min and 8K/min, grain size of oxides reactant less than 250 µm, maintaining time 2 h and finally the mixing time for 1 h. [ABSTRACT FROM AUTHOR]

Structural properties of carbonized cellulose were explored to conjugate the outcomes from various characterization techniques, namely X-ray diffraction (XRD), Raman spectroscopy, and high-resolution transmission electron microscopy. All these techniques have evidenced the formation of graphene stacks with a size distribution. Cellulose carbonized at 1000 and 1800 °C at a heating rate of 2 °C/min showed meaningful differences in Raman spectroscopy, whereas in XRD, the differences were not well pronounced, which implies that the crystallite sizes calculated by each technique have different significations. In the XRD patterns, the origin of a specific feature at a low scattering angle commonly reported in the literature but poorly explained so far, was identified. The different approaches used in this study were congruous in explaining the observations that were made on the cellulose-derived carbon samples. The remnants of the basic structural unit (BSU) are developed during primary carbonization. Small graphene-based crystallites inherited from the BSUs, which formerly developed during primary carbonization, were found to coexist with larger ones. Even if the three techniques give information on the average size of graphenic domains, they do not see the same characteristics of the domains; hence, they are not identical, nor contradictory but complementary. The arguments developed in the work to explain which characteristics are deduced from the signal obtained by each of the three characterization techniques relate to physics phenomena; hence, they are quite general and, therefore, are valid for all kind of graphenic materials. [ABSTRACT FROM AUTHOR]

The zinc ferrite nanoparticles are synthesized by a simple and low cost solid state technique. The synthesized powder is pre‐sintered at 200°C for 5 h and annealing at different temperatures. The crystal structure, phase purity, optical, and morphological analysis studies of synthesized ferrites materiel are investigated by X‐ray diffraction (XRD), scanning electron microscopic (SEM), UV–Visible spectroscopy, and Fourier transform infrared (FTIR) spectroscopic techniques, respectively. The XRD pattern of all zinc ferrite samples shows the formation of single‐phase cubic spinel structure. The optical band gap of zinc ferrite is found to be 1.96 eV. The change in morphology of zinc ferrite is observed due to the effect of the annealing temperature. [ABSTRACT FROM AUTHOR]

Ferric nitrate Fe(NO3)3 ⋅9H2O as a precursor and Ethylene Glycol as a solvent were used to prepare iron oxide nanoparticle via sol gel method. X-ray diffraction (XRD) study of IONPs at different calcination temperatures to determine the size of the crystallite was performed using various methods of calculation: Scherrer, Williamson-Hall (W-H), Halder-Wagner (H-W) and Size-Strain plot (SSP). The Scherrer and H-W methods reveal that the crystallite size decreases in the presence of a single phase (γ-Fe2O3) at lower temperature, as the contribution of other-phase (α-Fe2O3) increases size varies, but again decreases as the material converts to a single phase, while with temperature, the Size-Strain Plot and Halder-Wagner Method show increased crystallite size. FE-SEM and HR-TEM investigations confirm that the synthesized IONPs are spherical. EDX spectra and FTIR analyses have shown that synthesized particles are pure iron oxide nanoparticles. The average particle size calculated using different models below than 20 nm. [ABSTRACT FROM AUTHOR]

Barium hexaferrite (BHF) is a promising material for technological applications. Hence, the large production of BHF for industrial application needs attention. Therefore, the effect of annealing temperature on the crystal structure, morphology, and magnetic properties of barium hexaferrite has been explored in this article. The BaFe12O19 (BHF) was prepared by the sol–gel method and annealed at different temperatures (800 °C, 900 °C, 1000 °C, and 1100 °C). The crystal structure of BHF is investigated by the Rietveld refinement of XRD patterns using Fullprof suit software. Bond lengths and bond angles have been calculated using the Rietveld refined crystal structure parameters. The FESEM micrograph reveals the cylindrical shape of BHF particles for the samples annealed above 900 °C. Large average grain size has been observed for 1100 °C annealed BHF sample. The average crystallite size (obtained from XRD analysis) and particle size (obtained from FESEM) increase with an increase in annealing temperature of BHF. It is observed that the magnetic properties of BHF depend on bond angles and bond lengths between Fe and O atoms at different crystallographic sites. The saturation magnetization and coercivity are found to increase with the increase in average crystallite or particle size, but the variation is very small. [ABSTRACT FROM AUTHOR]

Structural properties of carbonized cellulose were explored to conjugate the outcomes from various characterization techniques, namely X-ray diffraction (XRD), Raman spectroscopy, and high-resolution transmission electron microscopy. All these techniques have evidenced the formation of graphene stacks with a size distribution. Cellulose carbonized at 1000 and 1800 °C at a heating rate of 2 °C/min showed meaningful differences in Raman spectroscopy, whereas in XRD, the differences were not well pronounced, which implies that the crystallite sizes calculated by each technique have different significations. In the XRD patterns, the origin of a specific feature at a low scattering angle commonly reported in the literature but poorly explained so far, was identified. The different approaches used in this study were congruous in explaining the observations that were made on the cellulose-derived carbon samples. The remnants of the basic structural unit (BSU) are developed during primary carbonization. Small graphene-based crystallites inherited from the BSUs, which formerly developed during primary carbonization, were found to coexist with larger ones. Even if the three techniques give information on the average size of graphenic domains, they do not see the same characteristics of the domains; hence, they are not identical, nor contradictory but complementary. The arguments developed in the work to explain which characteristics are deduced from the signal obtained by each of the three characterization techniques relate to physics phenomena; hence, they are quite general and, therefore, are valid for all kind of graphenic materials.

Nanoparticles of magnetite passivated with gelatin and starch were synthesised using a co‐precipitation technique. The nanoparticles were characterised using ultraviolet–visible (UV–vis), dynamic light scattering (DLS), Zeta potential, transmission electron microscope (TEM), X‐ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR). The UV–vis spectra showed characteristic surface plasmon resonance of magnetite nanoparticles. The DLS results showed the nanoparticles to have average hydrodynamic diameters of 138 ± 2 and 283 ± 21 nm for particles passivated with gelatin and starch, respectively. The stability in a colloidal solution was greater in nanoparticles passivated with gelatin than nanoparticles obtained with starch, as can be seen by their Zeta potential value (−31 ± 2 and −16 ± 0.5 mV, respectively). According to the TEM evaluation, the use of gelatin allowed to obtain nanoparticles with a spherical morphology and an average size of 10 ± 2 nm. However, when using starch the nanoparticles exhibited diverse morphologies with an average size of 25 ± 7 nm. The XRD results confirmed the crystalline structure of the samples, which showed crystallite sizes of 14.90 and 24.43 nm for nanoparticles passivated with gelatin and starch, respectively. FTIR analysis proved the establishment of interactions between functional groups of biopolymers and magnetite nanoparticles. [ABSTRACT FROM AUTHOR]

In the present study, high purity copper oxide nanoparticles (NPs) were synthesised using Tridax procumbens leaf extract. Green syntheses of nano‐mosquitocides rely on plant compounds as reducing and stabilising agents. Copper oxide NPs were characterised using X‐ray diffraction (XRD) analysis, Fourier transform infrared (FT‐IR), Field‐emission scanning electron microscopy with energy dispersive spectroscopy, Ultraviolet–visible spectrophotometry and fluorescence spectroscopy. XRD studies of the NPs indicate crystalline nature which was perfectly matching with a monoclinic structure of bulk CuO with an average crystallite size of 16 nm. Formation of copper oxide NPs was confirmed by FT‐IR studies and photoluminescence spectra with emission peaks at 331, 411 and 433 nm were assigned to a near‐band‐edge emission band of CuO in the UV, violet and blue region. Gas chromatography–mass spectrometry studies inferred the phytochemical constituents of the leaf extract. Larvicidal activity of synthesised NPs using T. procumbens leaf extract was tested against Aedes aegypti species (dengue, chikungunya, zika and yellow fever transmit vector). [ABSTRACT FROM AUTHOR]

Crystalline silicon oxy-nitride (SiON) composite films are deposited on Si substrate for multiple (5, 15, 25 and 50) focus shots (FS) by plasma focus device. The X-rays diffraction patterns reveal the development of various diffraction peaks related to Si, Si3N4, and SiO2 phases which confirms the formation of SiON composite film. The intensity of Si3N4 (1 0 2) plane is linearly increased with the increase of FS. The Si3N4 (1 0 2) phase does not nucleate for 5 FS. Raman analysis confirms the formation of β-Si-N phase. Raman and Fourier transform infrared spectroscopy analysis reveals that the strength of chemical bonds like Si-N, Si-O formed during the deposition process of SiON composite films is associated with the bonds intensity which in turn depends on the number of FS. The field emission scanning electron microscopic analysis reveals that the surface morphology like size, shape and distribution of micro/nano-dimensional particles, film compactness and the formation of micro-rods, micro-teethes and micro-tubes of SiON composite films is entirely associated with the rise in substrate surface transient temperature which in turn depends on the increasing number of FS. The EDX spectrum confirms the presence of Si (22.5 ± 4.7 at. %), N (13.4 ± 4.5 at. %) and O (54.7 ± 11.3 at. %) in the SiON composite film. The thickness of SiON composite film deposited for 50 FS is found to ∼15.47 µm. [ABSTRACT FROM AUTHOR]

This work has the objective of influence of sintering temperatures (800 °C and 1000 °C) structural properties of cadmium doped cobalt zinc ferrite (Co0.5Zn0.5Cd0.2Fe1.8O4) prepared by simple, low-cost Solid State reaction method. The structural parameters were explored by XRD technique. The X-ray analysis confirms the formation of particles of cubic inverse spinel structure. The structural and mechanical properties comparatively reported. [ABSTRACT FROM AUTHOR]

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In this work, a simple, facile and economical solid state method was used to produce ZnO nanopowder. The method is based on the thermal decomposition of zinc acetate dehydrate at 900 °C for one hour. The ZnO nanopowder studied by means of X-ray diffraction(XRD), Fourier transform infrared spectroscopy(FT-IR), Fluorescence spectrometer and scanning electron Microscopy(SEM). The result obtained revealed that the synthesized ZnO nanopowder was wurtzite type with a crystallite size of 54.79 nm. [ABSTRACT FROM AUTHOR]

Two sets of indium oxide thin films (~150 nm) grown on quartz substrates using thermal evaporation technique were processed separately with 25-keV Co− and N+ ions with several fluences ranging from 1.0 × 1015 to 1.0 × 1016 ions/cm2. The pristine and the ion implanted films were characterized by Rutherford backscattering spectroscopy (RBS), X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM) and UV-Vis spectrometry. The RBS spectra reveal signature of only cobalt and nitrogen in accordance to their fluences confirming absence of any contamination arising due to ion implantation. An increase in the average crystallite size (from 13.7 to 15.3 nm) of Co− ions implanted films was confirmed by XRD. On the other hand, the films implanted with N+ ions showed a decrease in the average crystallite size from 20.1 to 13.7 nm. The XRD results were further verified by SEM micrographs. As seen in AFM images, the RMS surface roughness of the samples processed by both ion beams was found to decrease a bit (29.4 to 22.2 nm in Co− implanted samples and 24.2 to 23.3 nm in N+ implanted samples) with increasing fluence. The Tauc's plot deduced from UV-visible spectroscopy showed that the band gap decreases from 3.54 to 3.27 eV in Co− implanted films and increases from 3.38 to 3.58 eV for films implanted with N+ ions. The experimental results suggest that the modifications in structural and optical properties of indium oxide films can be controlled by optimizing the implantation conditions. Copyright © 2017 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Highly c -axis oriented un-doped ZnO and Al-, Ba-, and Cd-doped ZnO thin films were successfully deposited on glass substrate employing sol-gel spin coating method. XRD analysis showed that all thin films possess hexagonal wurtzite structure with preferred orientation along c -axis. Field emission scanning electron microscope (FESEM) was used to study the morphology of thin films. The morphology consists of spherical and non-spherical shape grains. EDX analysis confirms the presence of O, Zn, Al, Ba, and Cd in the relevant thin films. The optical properties of thin films were studied using UV–Vis spectrometer. All thin films possess more than 85% optical transmittance in the visible region. Blue shift in optical band gap E g has been observed on doping with Al, whereas doping with Ba and Cd resulted in red shift of E g . Urbach energy E u of all doped ZnO thin films was found to have excellent correlation with their band gap energy E g . Moreover, E g increases while E u decreases on the increase in crystallite size D . Optical parameters E g and E u as well as structural parameters lattice strain and stacking fault probability also show excellent correlation with the B -factor or the mean-square amplitude of atomic vibrations < u 2 > of the dopant elements. Electrical conductivity measurement of the thin films was carried out using two-point probe method. The electrical conductivity was found to increase with the increase in crystallite orientation along c -axis. [ABSTRACT FROM AUTHOR]

The equation for the size strain plot methods reported by A. Khorsand Zak et al. (Solid State Sci. 13 (2011), 251) [1] does not follow the dimensional homogeneity, consequently leading to an inaccurate estimation of the crystallite size and strain values of the materials under investigation and the dimensions of the obtained parameters. We also perceived an error in the values of crystallite size and strain reported by the authors using the size-strain plot method. We will discuss the importance of dimensional analysis and its repercussions on the estimated values and the units of parameters. [Display omitted] [ABSTRACT FROM AUTHOR]

Single (40.68 MHz) and dual (40.68/2.1 MHz) high radio frequency (RF) argon plasma discharge was employed as a source of a low-temperature treatment mechanism that was used to modify the surface of polypropylene (PP). The effects of argon plasma on the surface chemistry and the surface morphology of PP were studied using X-ray diffraction analyses. In this study, samples were treated under different plasma operation conditions for parameters such as RF power, gas pressure and treatment time. Furthermore, the crystallite size was calculated (using Scherrer equation) from the diffraction pattern of the β fraction (Full Width at Half maximum) for PP samples. The results reveal that the crystallite size strongly increases with RF power and treatment time, but decreases with gas pressure. From the analysis, it was found that the treated samples have higher crystallite sizes in compared to those of the single RF plasma discharge. This happens because the increase of plasma temperature leads to increases in the crystallization of PP sample, so that the crystallite size also increases. Furthermore, because of the advantageous features of the dual-RF plasma mode, the surface modification of PP sample can occur more quickly than is possible via the single-RF plasma discharge. [ABSTRACT FROM AUTHOR]

• Spray pyrolysis technique is employed to grow CdO. • The XRD is analyzed using modified Williamson–Hall and modified Warren–Averbach methods. • The size parameters, lattice strain, dislocation arrangement parameter, effective outer cut-off radii, dislocation density and size distribution functions are investigated. Cadmium oxide (CdO) thin films have been successfully deposited on amorphous glass substrates by spray pyrolysis technique at a temperature, 573 °K using aqueous solution of cadmium nitrate 4-Hydrate powder with a concentration of 0.1 M. The X-ray diffraction (XRD) studies have revealed that the films exhibit cubic crystal structure. The modified Williamson–Hall and Warren–Averbach methods are used successfully for analyzing the XRD line profile for determining the crystallite size, dislocation densities and crystallite size distribution in CdO thin films. The crystallite size (D) and integral breadths (d) (D = 44.139 nm and d = 32.237 nm) are obtained by the modified Williamson Hall, while the area-weighted average grain sizes and volume-weighted obtained of modified Warren–Averbach method are x vol = 46 , 06 n m and x area = 29 , 7 n m , respectively. The size parameter (L o), dislocation density (ρ), effective outer cut-off radii (R e) and dislocation arrangement parameter (μ) gotten of Warren–Averbach are 35.53 nm, 2.0 × 1015 m−2, 7 nm and 0.31 nm, respectively. The particle size distribution (x) derived of XRD and estimated of size parameter is the size distribution function f (x) of log-normal. [ABSTRACT FROM AUTHOR]

Copper indium sulphide (CuInS 2) is regarded as an active material for solar cells owing to its unique optical properties, non-toxicity, low-cost and easy of synthesis. The cost and performance of the solar cell depend not only on the materials, but also on the preparation and fabrication techniques, which are significant for improving the efficiency of the device. In current study, the co-precipitation method was instigated to synthesize the chalcopyrite CuInS 2 semiconductor nanoparticles (NPs) and the effects of annealing temperature on the size, agglomeration, functional groups and elemental compositions were investigated. In the next step, CuInS 2 films were deposited on a conductive substrate using a stable dispersion by an electrophoretic deposition technique. Subsequently, the synthesized NPs and films were subjected to structural, morphological, optical and elemental analysis. X ray diffraction (XRD) revealed the formation of the tetragonal chalcopyrite CulnS 2 NPs at 200 °C and 300 °C with the most prominent peak along the (112) orientation, and the calculated crystallite size ranged from 11.32 to 32.74 nm. Furthermore, the films were characterized by scanning electron microscopy, which showed the surface modifications of the electrophoretically deposited films at moderate voltage. The photovoltaic analysis shows that the cell fabricated at 90 V increases the cell's efficiency up to 1.27%, while the cells fabricated at 100 and 110 V increase the efficiency to 1.13% and 0.83%, respectively. [Display omitted] • This study described the synthesis of CuInS 2 NPs by the least complicated co-precipitation route. • The impact of the annealing temperature on crystallographic structure and surface properties of NPs. • Utilization of synthesized NPs to prepare a homogenous suspension for electrophoretic deposition at ambient conditions. • This study explained the effect of applied voltages on morphological properties of films. • The significance of the synthesized CuInS 2 films at different voltages in solar cell devices. [ABSTRACT FROM AUTHOR]

In this work, the evolution of crystallite size and crystalline preferred orientation (texture) of the electrodeposited Ni–ZrC composite coating has been investigated by using Rietveld X-ray diffraction (XRD) line profile analysis. The influences of both ZrC micron- and nano-particle concentrations on the microstructure evolution of the composite coating have been studied. Pole figures reconstructed by Rietveld refinements and measured by XRD and relative texture coefficients are all applied to characterize the variation of texture. With increasing ZrC particle concentrations in electrolyte from 1 to 40 g/L, the evolution of both crystallite size and texture can be divided to two stages, which can be named as texture-modified and crystallite-refined stage. At the first stage, strong depressing of < 220 > fiber texture synchronizes with the decreasing of crystallite size along < 200 > direction, which reduces more quickly than those along < 111 > and < 220 > directions. At the second stage, the strong fiber texture has been totally depressed and the crystallite shape changes from anisotropy to isotropy. And the crystallite sizes along < 200 >, < 111 > and < 220 > directions all decrease gradually with the increasing of ZrC concentration. Compared with the ZrC micron-particles, ZrC nano-particles lead the composite coating with smaller crystallite size, weaker texture, higher microstrain and higher dislocation density at the same particle concentration. The evolution of crystallite size and texture is ascribed to the incorporation of the second phase ZrC particles into the coating. [ABSTRACT FROM AUTHOR]

Fullerene grafted poly (methylmethacrylate) polymers have been studied using X-ray diffraction and raman spectroscopy to analyze their polymeric structure. The electrical properties of prepared polymers have also been studied. The X-ray diffraction and raman spectroscopy pattern of pure buckminster fullerene (60) has been compared with prepared polymeric samples. Raman spectroscopy indicates that a structural change occurs due to grafting. The vibrations in the relative intensity of peaks and shifts in energy are observed. The lower scattering efficiency of pure fullerene (60) is observed at 1468 cm-1.The values for poly (methylmethacrylate) are observed at 3000 cm-1. The result show a large shift in the intense raman spectral region of fullerene-based poly (methylmethacrylate) which lies between 2500 cm-1 and 3000 cm-1. X-ray diffraction shows an unusual variation in crystallite size of polymeric samples. Generally it has been observed that polymers are insulators, but noticeably fullerene-based poly (methylmethacrylate) show conducting behavior. [ABSTRACT FROM AUTHOR]

ABSTRACT Polytetrafluoroethylene (PTFE) polymer samples were irradiated by 50 MeV Li3+ ion beams to the fluences of 1 × 1010, 1 × 1011, and 1 × 1012 ions/cm2. The structural, optical, and chemical properties were studied by X-ray diffraction (XRD), UV-visible (UV-vis) spectroscopy, and Fourier transform infrared (FTIR) spectroscopy, respectively. The XRD analyses showed amorphization of the polymer sample at fluences of 1 × 1010 and 1 × 1011 ions/cm2. Crystallite size (calculated by applying the Scherrer formula) decreased for irradiated samples at fluences of 1 × 1010 and 1 × 1011 ions/cm2. The other factors like microstrain (ε), dislocation density (δ), and distortion parameters ( g) showed variations at these fluences. However, there was no change in the interchain separation ( R) and interplanar distance ( d) for all irradiated samples. UV-vis showed a shift of the absorption edge of irradiated samples towards the visible region. The band gap energy ( Eg) was calculated using Tauc's relation, and its value decreased with an increase of ion fluence for all irradiated samples. The number of carbon atoms per conjugation length ( N) increased for the irradiated samples. The FTIR results revealed the liberation of CF2 groups and the appearance of some new bands after irradiation. [ABSTRACT FROM AUTHOR]

Highlights: [•] Preparation of nanosized Ni0.5Zn0.5Fe2O4 system by simple method. [•] Characterization of Ni0.5Zn0.5Fe2O4 system by different techniques to confirm the formation of single phase. [•] Determination of the magnetic properties of the as prepared Ni0.5Zn0.5Fe2O4 system. [•] Using the SEM and EDX to determine the element gradient and the homogeneity of particles. [•] The possibility of the control in the magnetic properties. [Copyright &y& Elsevier]

Highlights: [•] Preparation of nanosized CoFe2O4 system by simple method. On other hand, preparation of magnetic CoFe2O4/PEVA composites. [•] Characterization of CoFe2O4 nanoparticles and CoFe2O4/PEVA composites by different techniques to confirm the formation of single CoFe2O4 phase and CoFe2O4/PEVA composites. [•] Determination of the magnetic properties of the as prepared systems. [•] Using the SEM and EDX to determine the morphology and chemical composition of the as prepared systems. [•] The possibility of the control in the magnetic properties of CoFe2O4/PEVA composites. [Copyright &y& Elsevier]

Composite films of TiN/Ni3N/a-Si3N4were synthesized using the Mather-type plasma focus device with varying numbers of focus deposition shots (5, 15, and 25) at 0° and 10° angular positions. The composition and structural analysis of these films were analyzed by using Rutherford backscattering (RBS) and X-ray diffraction (XRD). Scanning electron microscope and atomic force microscope were used to study the surface morphology of films. XRD patterns confirm the formation of composite TiN/Ni3N/a-Si3N4films. The crystallite size of TiN (200) plane is 11 and 22 nm, respectively, at 0° and 10° angular positions for same 25 focus deposition shots. Impurity levels and thickness were measured using RBS. Scanning electron microscopy results show the formation of net-like structures for multiple focus shots (5, 15, and 25) at angular positions of 0° and 10°. The average surface roughness of the deposited films increases with increasing focus shots. The roughness of the film decreases at higher angle 10° and the films obtained are smoother as compared with the films deposited at 0° angular positions. [ABSTRACT FROM AUTHOR]

Abstract: In this work, a study of annealing process effect on TiN/TiC bilayer is presented. The annealing temperature was varied between room temperature and 500°C. Materials were produced by the plasma-assisted pulsed vacuum arc discharge technique. In order to grow the films, a target of Ti with 99.9999% purity and stainless-steel 304 substrate were used. For the production of TiN layer, the reaction chamber was filled up with nitrogen gas until reaching 25Pa and the discharge was performed at 310V. The TiC layer was grown in a methane atmosphere at 30Pa and 270V. X-ray diffraction and X photoelectron spectroscopy were employed for studying the structure and chemical composition evolution during the annealing process. At 400°C, TiO2 phase begun to appear and it was well observed at 500°C. Crystallite size and microstrain was obtained as a function of the annealing temperature. XPS technique was employed for analyzing the bilayers before and after the annealing process. Narrow spectra of Ti2p, N1s and O1s were obtained, presenting TiO phases. [Copyright &y& Elsevier]

Abstract: A hydrothermal process was developed using alternative cheaper rutile mineral as precursor for the synthesis of nanotitania powder. The dissolution stage is an important part of the process as this will lead to the nucleation of the titanium ions and hence to the properties of the nanotitania powder. The study looks into the effect on different HCl molarities (0.5 – 4M HCl) on the characteristic properties of rutile titanium dioxide produced by the hydrothermal method. At lower HCl molarities (0.5 and 1.0M), the Titania consist of both anatase and rutile phases, while at higher molarities (2.0 – 4.0M), only a single rutile phase is present. It was discovered that the there is an inverse relationship between HCl''s molarity and titania''s crystallite size, where the most dilute acid at 0.5M HCl produces the largest crystallite size of 11.95nm, while diluting with 3M HCl produces a crystallite size of 6.7nm. The surface morphology observed by SEM of the rutile products produced at different acid molarities seems to be of similar highly disarrayed and nonuniform structures. From the results it can be concluded that dissolution using 2M HCl produced the best nanotitania properties. [Copyright &y& Elsevier]

Abstract: The effect of substrate patterning on hydroxyapatite (HA) sol–gel thin film growth is investigated. Sol–gel derived HA was spun onto wet and dry etched micro-patterned titanium substrates to obtain thin films of thickness ~400nm. The amorphous films were made crystalline by firing at temperatures ranging from 650 to 850°C for 5min. Rutherford backscattering spectrometry (RBS), X-ray diffraction (XRD), and atomic force microscopy (AFM) were used to characterize the films. Crystal sizes calculated from XRD data show that films on patterned substrates contained larger grains than those on un-patterned substrates. The films on wet etched substrates contained larger grains than the films on dry etched substrates. AFM results confirm XRD results. A marked difference between the films on patterned and unpatterned substrates was observed, with those on the patterned substrates being much rougher than those on the unpatterned substrates. The films inside the channels contained larger grains than those outside of channels, on the polished, unetched portion of the substrate. [Copyright &y& Elsevier]

Abstract: Nanocrystalline tin oxide (SnO2) powders were synthesized by chemical co-precipitation method using stannic chloride pentahydrate (SnCl4·5H2O) precursor in aqueous medium. The influence of sintering temperatures on the crystalline structure, morphological, electrical, dielectric and XPS properties has been studied. X-ray diffraction study reveals that sintered powder which exhibits tetragonal crystal structure and both crystallinity as well as crystal size increase with increase in temperature. The nature of species of various absorption bonds viz. Sn–O, O–Sn–O and O–H involved in sintered SnO2 samples has been studied using FTIR technique. The morphological studies reveal randomly arranged grains with compact nature and grain size increases with sintering temperature. Measurements of electrical properties show relatively lower resistivity (≈102–103 Ωcm) and higher dielectric constant at 400°C than other sintering temperatures. The compositional analysis and electronic behavior of SnO2 nanoparticles is studied using X-ray photoelectron spectroscopy. The symmetric spin orbit splitting of Sn 3d5/2 ground state and Sn 3d3/2 excited states is observed with sintering temperature while O 1s is recognized with O2 − state. [ABSTRACT FROM AUTHOR]

Abstract: Polycrystalline ferrites of Cd x Mg1−x Fe2O4 (x =0, 0.2, 0.4, 0.6, 0.8 and 1.0) with addition of 5% of yttrium has been synthesized by oxalate co-precipitation method and characterized by XRD, SEM and FTIR techniques. The samples were presintered at 700°C for duration of 6h and sintered at 1050°C for 5h. The X-ray diffraction measurements confirmed the formation of cubic spinel structure. Lattice constant, X-ray density, physical density, crystallite size, ionic radii on A-site and B-site (r A, r B), bond length on A-site and B-site (A–O, B–O) and porosity have been calculated. The lattice constant is found to increase with increase in Cd2+ content. The physical densities are about 86.96% of their X-ray density. Average crystallite size lies in the range of 28.86–32.06nm. SEM study shows that the grain size of the samples increases with increase in Cd2+ content. The addition of Y3+ reduces the grain growth. The FTIR spectra shows two strong absorption bands in the frequency range 575–435cm−1, on the tetrahedral and octahedral sites, respectively. Further it shows that Y3+ occupies B-sites. [Copyright &y& Elsevier]

Abstract: Barnacle shell is a very complex and strong composite bioceramic composed of different structural units which consist of calcite 15 microcrystals of very uniform size. In the study reported herein, the microstructural organization of these units has been examinated in detail with optical and scanning electron microscopy, and X-ray diffraction techniques. These analyses showed that the external part of the shell has a massive microstructure consisting of randomly oriented crystals. Toward the interior, the shell became organized in mineral layers separated by thin organic sheets. Each of these mineral layers has a massive microstructure constituted by highly oriented calcite microcrystals with their c-axes aligned [(001) fibre texture] perpendicular to the organic sheets and the shell surface. Interestingly, in another structural unit, the shell shield, the orientation of the c-axis calcite crystals shifts from being perpendicular to being parallel to the shell surface across its thickness. This study provides evidence that the organic matrix is responsible for the organization of the shell mineral and exterts strong a strict control on the polymorphic type, size and orientation of shell-forming crystals. [Copyright &y& Elsevier]

Abstract: The copper based Indian traditional drug ‘tamra bhasma’ is administered for various ailments since long. Its synthesis involves treating metallic copper with plant juices and then repeated calcination in presence of air so that the metallic state is transformed into the corresponding oxide form traditionally known as ‘bhasma’. In this work, we present a systematic characterization of this traditional drug using various techniques like X-ray diffraction (XRD), scanning electron microscopy (SEM)–energy dispersive X-ray analysis (EDX), X-ray photoelectron spectroscopy (XPS), infrared spectroscopy (IR), thermogravimetry (TG) and surface area measurement. The results obtained were found to match very well with those of a standard copper oxide confirming the composition of the drug sample. In addition, some specific findings were also made which could help in interpreting the therapeutic properties of the traditional drug ‘tamra bhasma’. [Copyright &y& Elsevier]

The properties of Ir–24Ta (at.-%) films prepared by dc magnetron cosputtering from a composite target on a < 100 > oriented Ni based single crystal superalloy TMS-75 were investigated. Ir–Ta was proposed as a novel oxidation resistant bond coat material for thermal barrier coatings. XRD showed the formation of a Ir-Ta fcc phase with a fibre texture with < 111 > orientation tilted by ∼ 10° with respect to the plane normal to the substrate surface. The Ir–Ta film subjected to post-heat treatment was found to be very stable, with no secondary phase formation up to 1073 K, and there seems to be interdiffusion at 1273 K. Nanoindentation measurements indicated that the addition of tantalum decreased Young's modulus and increased the hardness obtained in the as deposited films compared with the hardness of iridium films. The Ir–Ta films heat treated up to 1273 K also exhibited nanomechanical properties comparable with those of as deposited films at 573 K. [ABSTRACT FROM AUTHOR]

Abstract: This paper discusses the influence of direct current (DC) power in the magnetron sputtering process on the crystallite size of the copper (Cu) thin films deposited on p-type silicon substrate at room temperature. X-ray diffraction (XRD) and Karl Suss four-point probe were employed to study the film crystallinity and conductivity, respectively. From the analysis on the XRD patterns, high DC power enhances the Cu film crystallinity with larger crystallite size, which is deduced using Sherrer''s formula. The behavior of the electrical property of the Cu films complies with the trend of the film crystallinity with DC power, in which the film conductivity increases with increasing DC power. We attribute these phenomena to the enhanced surface diffusion mechanism of the adatom during the sputtering deposition process, which improves the microstructure of the Cu film. [Copyright &y& Elsevier]