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We analyzed a number of complicated X-ray diffraction patterns using feature patterns obtained through unsupervised machine learning. A crystalline SiGe film on a Si substrate with a spatial fluctuation in both composition and crystal orientation was tested as a model sample having complicated X-ray diffraction patterns with multipeaks. Non-negative matrix factorization (NMF), an unsupervised machine learning method, was performed on 961 patterns obtained by spatial mapping of micro-beam X-ray diffraction measurements. Among the tested number of the feature patterns from 1 to 10, four feature patterns were the most useful for extracting the information about the composition and crystal orientation because they correspond to the diffraction patterns of typical SiGe films with high and low Si fraction, and right- and left-tilted orientation. Reasonable spatial maps of composition and crystal orientation were visualized using coefficients of the four feature patterns. Furthermore, the spatial constraint was tested for NMF using 225 diffraction patterns which were down-sized from 33 × 33 to 16 × 16 pixels due to the high computational cost of simple implementation without techniques to reduce the cost. Four feature patterns similar to those of the simple NMF without the constraints and the more reasonable distribution reflecting the SiGe spatial domain structure were obtained. The feature pattern extraction by NMF and interpretation by experts demonstrated in this study will be useful for quick analysis of a number of X-ray diffraction patterns with large and complicated fluctuations.

The solidification process of Ni-based superalloy K465 was examined using DTA and X-ray diffraction. The impact of melt structure on solidification process and the morphology of MC carbide and γ′-phase was analyzed. It was observed that an increase in melt peak temperature led to a significant decrease in precipitation temperature for carbides, but only a slight increase in the formation temperature of matrix and eutectic microstructure. The X-ray diffraction results showed that some ordered structures were detected in the sample with melt peak temperature of 1450 °C and 1500 °C, but not in the sample with melt peak temperature of 1360 °C. Furthermore, the ordered structure displayed similar crystalline features with M6C carbide. As the melt peak temperature increased, the carbides changed from block type to script type morphology. This phenomenon was likely caused by the formation of ordered structures at high temperatures. However, the microstructure of γ matrix and γ′ precipitates remained unaffected by the melt peak temperature.

The results of obtaining titanium carbide by a vacuum-free electric arc method using various types of biocarbon obtained by classical pyrolysis of biomass waste, such as tangerine peel, pomelo peel, banana peel, pine nut shells, and walnut shells, are presented. An analysis of X-ray diffraction patterns of the synthesized materials showed the repeatability of the experiment with the receipt of diffraction maximums indicating the formation of a cubic structure of titanium carbide. An analysis of the thermal oxidation of the resulting powders showed that the process proceeded slowly up to 1000°C, but the rate of oxidation increased significantly with temperature. It has been established that the weight of the studied titanium carbide powders obtained using various types of carbon increased upon thermal heating in an oxidizing atmosphere, as confirmed by thermogravimetric analysis. [ABSTRACT FROM AUTHOR]

Glasses of Sb2S3-As2S3 system with nominal composition of As0,4xSb0,4(100-x)S60 (where x= 10, 25, 50, 75 and 100 mol% As2S3) were investigated by different quenching methods and Raman spectroscopy. All studied samples were in the vitreous state. The average coordination number (Z), being equal to 2.4, has indicated that the numbers of neighbors of non-chalcogens (As and Sb) and chalcogens (S and Te) atoms were respectively 3 and 2. These coordination numbers were conditions fulfilled by the atoms to obtain vitreous materials. The vibrations of the SbS3 and AsS3 structural units dominated the Raman spectra of the studied Sb2S3-As2S3 glasses. [ABSTRACT FROM AUTHOR]

The current work displayed the efficacy of the nanodisk shaped zinc oxide nanostructures (NDs-ZnONSs) processed via hydrothermal solution process and studies the cytotoxicity against human breast cancer cells (MCF-7). The NDs-ZnONSs were analyzed by using instruments such as X-ray diffraction pattern (XRD), Field emission scanning electron microscopy (FESEM), and Fourier transform infra-red spectroscopy (FTIR). The XRD and FESEM shows the crystallinity and morphology of NDs-ZnONSs states the estimated width size of each sheet diameter and length are ∼20-25 nm and 2-3 µm respectively. The cytotoxicity of MCF-7 cells with NDs-ZnONSs at different concentrations (1, 2, 5, 10, 25, 50 and 100 µg/mL) were examined via MTT and NRU assays. The results showed that at initial (1, 2 and 5 µg/ml) concentrations of NDs-ZnONSs didn't show any cytotoxicity in cancer cells but higher concentrations (25, 50 and 100 µg/mL) of NDs-ZnONSs displayed a remarkable inhibition in cancer cells growth and morphology. Further, the reactive oxygen species (ROS) generation was also examined with NDs-ZnONSs at different concentrations and result showed that it increased with increasing the concentration of NDs-ZnONSs in MCF-7 cells. The expression of apoptotic genes (p53, bax, casp-3) including control via qRT-PCR, reveals that mRNA level of apoptotic genes with NDs-ZnONSs were upregulated. [ABSTRACT FROM AUTHOR]

The current work displayed the efficacy of the nanodisk shaped zinc oxide nanostructures (NDs-ZnONSs) processed via hydrothermal solution process and studies the cytotoxicity against human breast cancer cells (MCF-7). The NDs-ZnONSs were analyzed by using instruments such as X-ray diffraction pattern (XRD), Field emission scanning electron microscopy (FESEM), and Fourier transform infra-red spectroscopy (FTIR). The XRD and FESEM shows the crystallinity and morphology of NDs-ZnONSs states the estimated width size of each sheet diameter and length are ∼20-25 nm and 2-3 µm respectively. The cytotoxicity of MCF-7 cells with NDs-ZnONSs at different concentrations (1, 2, 5, 10, 25, 50 and 100 µg/mL) were examined via MTT and NRU assays. The results showed that at initial (1, 2 and 5 µg/ml) concentrations of NDs-ZnONSs didn’t show any cytotoxicity in cancer cells but higher concentrations (25, 50 and 100 µg/mL) of NDs-ZnONSs displayed a remarkable inhibition in cancer cells growth and morphology. Further, the reactive oxygen species (ROS) generation was also examined with NDs-ZnONSs at different concentrations and result showed that it increased with increasing the concentration of NDs-ZnONSs in MCF-7 cells. The expression of apoptotic genes (p53, bax, casp-3) including control via qRT-PCR, reveals that mRNA level of apoptotic genes with NDs-ZnONSs were upregulated.

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The research aims to prepare a geopolymer mortar with rice husk ash (RHA) and zeolite. The use of RHA as a geopolymer binder that has a higher silica and low alumina content, reduces the polymerisation process. Zeolite is a natural aluminosilicate material containing the alumina content required for the polymerisation process. The compressive strength and microstructure properties of the geopolymer mortar were examined at various molar RHA and zeolite concentrations and proportions. Two different curing processes were used in this study, namely heat and ambient curing conditions. The results indicated that the compressive strength of the geopolymer mortar decreases with an increase in the proportion of zeolite. The heat curing seems to be more beneficial than the ambient curing regime. Also, an increase in the sodium hydroxide concentration increases the compressive strength of the prepared geopolymer mortar up to 12 M. The optimum percentage of zeolite replacement was found to be 10%.

This process of this paper is carried out using the chemical spraying method to produce homogeneous thin films of pure cadmium sulfide-doped with silver at different percentages of 1%, 3%, and 5% on glass and polyimide plastic substrates at 300°C. The aim is to study the optical and structural properties of the samples and the effect of the silver doping rate on films produced with these properties. Due to X-ray diffraction studies, all films created had a hexagonal phase, and it was noticed that they had a very precise structure free of holes or cracks. The obtained crystal size ranged between 22.74 nm and 55.05 nm for different substrates, and the prominent plane was (002). From the optical properties, all films exhibited transmission higher than 60%, thus showing a low absorption, which makes them be used as light-permeable layers in the Solar Cell system. In addition, emission peaks were revealed by photo luminescence spectra examination at wavelengths ranging between (542.94 nm) and (546.02 nm), which led to calculate the energy gap (Eg). of the produced films, ranged between (2.27 eV) and (2.28 eV) for the different substrates. [ABSTRACT FROM AUTHOR]

In the present paper, a single host phosphor for a white light emitting diode (W-LED) Sr3(VO4)2:Eu3+, prepared by the co-precipitation method and combustion one, has been reported. Formation of the compound was confirmed by studying the X-ray diffraction pattern. The photoluminescence (PL) properties were studied by fluorescence spectrophotometer F-7000. The Sr3(VO4)2:Eu3+ exhibited a broad emission band covering the entire visible region centered at 520 nm wavelength and a sharp peak at 613 nm, when excited by 350 nm. The excitation spectrum at 520 nm emission wavelength was found to be suitable for pc-W-LED application.

The datasets presented in this article are related to materials research on hard ferromagnet in TM-Fe-Si (TM=Ti, Zr, Hf, V, Nb, and Ta) ternary systems. The motivation for data collection is based on the research paper entitled “Novel hard magnetic phase with Zr11.5Fe53Si35.5 composition”. The datasets are composed of scanning electron microscope images, X-ray diffraction (XRD) patterns, and magnetization data for TM7Fe52Si41 annealed at 1050 °C. The chemical compositions of constituent phases were determined by an energy dispersive X-ray spectrometer (EDS). The phase analysis was performed using XRD and EDS results. The Curie temperature of each sample was obtained using magnetization data, and the coercive field was determined for hard ferromagnet samples Zr7Fe52Si41 and Hf7Fe52Si41. The datasets would be useful for developing an Fe-based rare-earth-free permanent magnet, which is one of the central issues of materials science.

This process of this paper is carried out using thechemical spraying method to produce homogeneous thin films ofpure cadmium sulfide-doped with silver at different percentagesof 1%, 3%, and 5% on glass and polyimide plastic substrates at300°C. The aim is to study the optical and structural properties of the samples and the effect of the silver doping rate on films producedwith these properties. Due to X-ray diffraction studies, all filmscreated had a hexagonal phase, and it was noticed that they had avery precise structure free of holes or cracks. The obtained crystalsize ranged between 22.74 nm and 55.05 nm for different substrates, and the prominent plane was (002). From the optical properties, all films exhibited transmission higher than 60%, thus showing a lowabsorption, which makes them be used as light-permeable layers in the Solar Cell system. In addition, emission peaks were revealed by photo luminescence spectra examination at wavelengths ranging between (542.94 nm) and (546.02 nm), which led to calculate the energy gap (Eg). of the produced films, ranged between (2.27 eV) and (2.28 eV) for the different substrates.

Thin films of ZnO, with distinct thicknesses, were deposited on soda-lime glass substrates by sol–gel spin-coating as a cost-effective method without any evacuation facilities. The nanocrystalline structure of the deposited films was indexed by the atomic force microscope and X-ray diffraction techniques. The average grain size increases with the increase of the film thickness and annealing temperature. The energy-dispersive X-ray technique has been used to check the atomic ratios of Zn and O with the film thickness and heat treatment for homogeneous ZnO films. ZnO films show elevated transmission in the visible spectrum as a transparent semiconductor material. Optical constants, like absorption coefficient, optical band gap, and refractive index, were obtained by the Swanepoel method. All thin film samples were applied for photodegradation of reactive orange 96 (RO96) to evaluate the effect of thickness and annealing temperature on the ZnO film's photocatalytic activity. ZnO 4L (400 °C, 3 h) film possesses the highest rate of photodegradation about 0.1 min−1 for RO96 with high stability and reusability. [ABSTRACT FROM AUTHOR]

The mechanisms of structure formation in porcelain at low temperature using new unconventional raw materials are presented. It was found that structure formation in the experimental porcelain materials is completed at lower firing temperatures (1220 – 1250°C). The phase composition of the synthesized porcelain consists mainly of mullite, quartz, and cristobalite crystals and a vitreous phase filling the gaps between the crystals. [ABSTRACT FROM AUTHOR]

This study investigated the role of water in the high-pressure treatment (300–600 MPa/15 min) of buckwheat (Fagopyrum esculentum) flour and property changes in post-process samples. DSC and XRD measurements demonstrated complete gelatinization of buckwheat starch occurred at 600 MPa. The particle size of flour decreased above 450 MPa. HP-treatment successfully transformed the crystalline A-type structure of hydrated samples into a B-type structure. Dry samples did not gelatinize or exhibit any structural change, even at 600 MPa. The progress of gelatinization and gel rigidity of post-process samples were measured on a rheometer. The thermal transition captured in rheometer and DSC differs significantly. The impact of further heating on the pressurized samples resulted in a significant improvement in their mechanical rigidity. Overall, this study confirmed that an optimum flour-to-water ratio should be maintained during HP treatment to achieve the desired changes in buckwheat flour so that it could be used in food formulation. [Display omitted] • Dry and hydrated buckwheat flours were treated under high-pressure. • The dry sample did not gelatinize, even at 600 MPa. • Hydrated samples showed significant changes in functional and structural properties. • A change in polymorph structure from A-type to B-type occurred in the treated sample. • Cracks developed in pressure-treated samples. [ABSTRACT FROM AUTHOR]

The experimental purpose of X-ray diffraction is to analyze crystalline material structure at the atomic and molecular levels. Such experiments are known as X-ray crystallography. Traditionally, human experts do it with some domain knowledge. X-ray crystallography is useful in numerous domains, e.g., physics, chemistry, and biology. It is tough to own manual physics of diffraction patterns to see a crystal structure with a colossal data set. A convolutional neural network (CNN) is a deep neural network that maps an input image into a high-dimensional space. CNN produces an affordable function for image classification. This paper uses an extension of the convolutional neural network to predict crystal structure from diffraction patterns. We propose a machine-enabled method to predict crystallographic size and space group from a limited number of XRD patterns for small films. We overcome the problem of scarce data within the development of building materials by combining the learning model of moderately monitored equipment, a physics information-enhancing strategy using data generated from the Inorganic Crystal Structure Database, and test data. We compare our approach with a large variety of typical addition as modern machine learning-based classification techniques for crystal structure prediction. Results show that our proposed system outperforms all the baselines by a significant margin for the crystal structure prediction task. Results also show the impact of the number of layers in the all-convolutional neural network architecture for crystal structure prediction. [ABSTRACT FROM AUTHOR]