Miller Indices Research Articles

Tripling of the scattering vector range of X-ray reflectivity on liquid surfaces using a double-crystal deflector.

The maximum range of perpendicular momentum transfer (q z) has been tripled for X-ray scattering from liquid surfaces when using a double-crystal deflector setup to tilt the incident X-ray beam. This is achieved by employing a higher-energy X-ray beam to access Miller indices of reflecting crystal atomic planes that are three times higher than usual. The deviation from the exact Bragg angle condition induced by misalignment between the X-ray beam axis and the main rotation axis of the double-crystal deflector is calculated, and a fast and straightforward procedure to align them is deduced. An experimental method of measuring scattering intensity along the q z direction on liquid surfaces up to q z = 7 Å-1 is presented, with liquid copper serving as a reference system for benchmarking purposes.

Crystallographic Benchmarking on Diffraction Pattern Profiling of Polymorphs-TiO2 by WPPF for Pigment and Acrylic Paint

At a very low temperature high crystalline phase of TiO2 best-fitted strain anatase was synthesized by peptization which was the prime object of this study. Unresolved parameters were investigated by the X-ray diffraction (XRD) technique employed for lattice parameters, crystallite size, lattice volume, strain, crystal structure, d-spacing and percentage of phase in weight fraction. 54.40 % anatase, 29.10 % brookite and 16.50 % rutile crystalline phase were found by whole powder pattern fitting (WPPF-Rietveld’s refinement) method and lattice volume of anatase 137.150, brookite 267.079 and rutile 62.901 ų as well the crystal strain 0.307, 0.45 and 0.28 % of anatase, brookite and rutile polymorph-TiO2 found respectively. The calculated lattice parameters of the anatase are \(\alpha\)=\(\beta\)=\(\gamma\)= 90.0°; a=b= 3.8056 Å, c= 9.470 Å and predominant (101), (004) and (200) miller indices with diffracted angle (2Ɵ) 25.38, 37.26 and 48.22 observed. The average crystallite size was 7.39 nm which confirmed the formation of nano-crystal-TiO2 due to the highly dispersed on medium. The percentage of strain of the individual polymorphs of TiO2 shows the best fit used for the pigment and acrylic paint.

Substrate Screening for the Epitaxial Growth of a Single-Crystal Graphene Wafer.

Epitaxial growth of a two-dimensional (2D) single crystal necessitates the symmetry group of the substrate being a subgroup of that of the 2D material. As a consequence of the theory of 2D material epitaxy, high-index surfaces, which own very low symmetry, have been successfully used to grow various 2D single crystals, while the rule of selecting the best substrates for 2D single crystal growth is still absent. Here, extensive density functional theory calculations were conducted to investigate the growth of graphene on abundant high-index Cu substrates. Although step edges are commonly regarded as the most active sites for graphene nucleation, our study reveals that, in some cases, graphene nucleation on terraces is superior than that near a step edge. To achieve parallel alignments of graphene islands, it is essential to either suppress terrace nucleation or ensure consistent orientations templated by both the terrace and step edge. In agreement with most experimental observations, we show that Cu substrates for the growth of single-crystalline graphene include vicinal Cu(111) surfaces, vicinal Cu(110) surfaces with Miller indices of (nn1) (n > 3), and vicinal Cu(100) surfaces with Miller indices of (n11) (n > 3).

A universal and accurate LPMI method for calculating mismatch in heterogeneous ice nucleation.

The interfacial correlation factor f(m,x), where m refers to the interaction among ice, water and the substrate and x refers to the ratio of the critical nucleation size to the surface topography characteristic size of the substrate, plays a crucial role in the classical theory of heterogeneous ice nucleation as it significantly impacts the energy of nucleation. Generally, a smaller value of f(m,x) indicates a higher propensity for ice nucleation. The degree of structural compatibility between ice and the substrate greatly influences f(m,x), particularly on specific substrates. Several approaches have been proposed to calculate the lattice matching based on this idea, which allows whether a surface is favorable for nucleation to be determined. However, none of these methods adequately correlates the mismatch index with ice growth phenomena. In this paper, we embarked on a new attempt to calculate the mismatch index by combining the lattice parameter and Miller index (LPMI). Droplet freezing experiments have been carried out on α-Al2O3 and silicon surfaces with different Miller indices to verify the rationality of the LPMI method. Furthermore, we validated the LPMI method extensively against other works and further demonstrated its readiness, accuracy and universality for freezing problems. The results consistently show that δd = 2|di - ds|/(di + ds) with interplanar spacing more accurately predicts heterogeneous ice nucleation rates across a wide range of substrates than δ1 = (ai - as)/ai with the lattice parameter of ice and the substrate and is more generally applicable than δ2D = (di - di)/di with the distances between two adjacent and congener atoms on the same plane. We believe that the proposed approach will aid in the selection of substrates for promoting or inhibiting heterogeneous nucleation on a specific substrate.

Permissible domain walls in monoclinic MAB ferroelectric phases.

The concept of monoclinic ferroelectric phases has been extensively used over recent decades for the understanding of crystallographic structures of ferroelectric materials. Monoclinic phases have been actively invoked to describe the phase boundaries such as the so-called morphotropic phase boundary in functional perovskite oxides. These phases are believed to play a major role in the enhancement of such functional properties as dielectricity and electromechanical coupling through rotation of spontaneous polarization and/or modification of the rich domain microstructures. Unfortunately, such microstructures remain poorly understood due to the complexity of the subject. The goal of this work is to formulate the geometrical laws behind the monoclinic domain microstructures. Specifically, the result of previous work [Gorfman et al. (2022). Acta Cryst. A78, 158-171] is implemented to catalog and outline some properties of permissible domain walls that connect `strain' domains with monoclinic (MA/MB type) symmetry, occurring in ferroelectric perovskite oxides. The term `permissible' [Fousek & Janovec (1969). J. Appl. Phys. 40, 135-142] pertains to the domain walls connecting a pair of `strain' domains without a lattice mismatch. It was found that 12 monoclinic domains may form pairs connected along 84 types of permissible domain walls. These contain 48 domain walls with fixed Miller indices (known as W-walls) and 36 domain walls whose Miller indices may change when free lattice parameters change as well (known as S-walls). Simple and intuitive analytical expressions are provided that describe the orientation of these domain walls, the matrices of transformation between crystallographic basis vectors and, most importantly, the separation between Bragg peaks, diffracted from each of the 84 pairs of domains, connected along a permissible domain wall. It is shown that the orientation of a domain wall may be described by the specific combination of the monoclinic distortion parameters r = [2/(γ - α)][(c/a) - 1], f = (π - 2γ)/(π - 2α) and p = [2/(π - α - γ)] [(c/a) - 1]. The results of this work will enhance understanding and facilitate investigation (e.g. using single-crystal X-ray diffraction) of complex monoclinic domain microstructures in both crystals and thin films.

Synthesis, microstructural and optical characterizations of sol-gel grown gadolinium doped cerium oxide ceramics.

In this study, through the utilization of the sol-gel combustion tactic, gadolinium (Gd)-doped cerium oxide (CeO2), Ce1-xGdxO2 (x = 0.00, 0.10, 0.20 and 0.30 (GDC)) ceramics were attained. The synthesized GDC ceramics were investigated using X-ray diffraction (XRD) to scrutinize their crystal structures and phase clarities. The obtained GDC ceramics have a single-phase cubic structure and belong to the crystallographic space group fm3̄m (225). The measurement of the diffraction angle of each reflection and the subsequent smearing of the renowned Bragg's relation provided coarse d-interplanar spacings. The stacking fault (SF) values of pure and Gd-doped CeO2 ceramics were assessed. To muse the degree of preferred orientation (σ) of crystallites along a crystal plane (h k l), the texture coefficient (Ci) of each XRD peak of GDC ceramics is gauged. By determining the interplanar distance (dh k l), the Bravais theory sheds light on the material's development. By exploiting Miller indices for the prime (1 1 1) plane, the lattice constants of GDC ceramics and cell volumes were obtained. Multiple techniques were employed to ascertain the microstructural parameters of GDC ceramics. A pyrometer substantiated the density of GDC ceramics. The room temperature (RT) Fourier transform infrared (FTIR) spectra of both un-doped and Gd-doped CeO2 were obtained. The UV-vis-NIR spectrometer recorded the GDC ceramics' reflectance (R) spectra at RT. For both undoped and Gd-doped CeO2, the absorption coefficient (α) spectra showed two distinct peaks. The R-dependent refractive index (η) and the α-dependent extinction coefficient (k) were determined for all GDC samples. The optical band gap (Eg) was obtained by integrating the Tauc and Kubelka-Munk approaches for GDC ceramics. For each GDC sample, the imaginary (εi) and real (εr) dielectric constants, as well as the dissipation factor (tan δ), were determined local to the characteristic wavelength (λc). Calculations were made for the Urbach energy (EU) and Urbach absorption coefficient (α0) for GDC ceramics. The minimum and maximum values of optical (σo) and electrical (σe) conductivity for GDC ceramics were determined. The volume (VELF) and surface (SELF) energy loss functions, which depend on the constants εi and εr, were used to measure electrons' energy loss rates as they travel across the surface. Raman spectroscopy revealed various vibrational modes in GDC ceramics. Finally, the implications are discussed herein.

Fabrication and physicochemical characterization of copper oxide–pyrrhotite nanocomposites for the cytotoxic effects on HepG2 cells and the mechanism

Abstract Novel CuO–FeS nanocomposites were synthesized to exert anticancer effects on HepG2 cells. The formation was initially demonstrated using UV–Visible spectrophotometry analysis, which indicated two peaks at 335 and 370 nm. Characteristic Fourier transform infrared spectroscopy peaks for Cu–O and Fe–S bonds were observed at 516, 577 and 619 cm−1 in addition to other notable peaks. The Miller indices correspond to the lattice spacing of monoclinic CuO and FeS as observed by selected area diffraction rings concurrent with the X-ray diffraction observations. The morphology was interpreted by scanning electron microscopy and transmission electron microscopy, indicating a particle size of 110 nm. As per energy-dispersive X-ray spectroscopy analysis, strong peaks for Cu (0.9, 8 and 9 keV), Fe (6–7 keV), O (0.5 keV) and S (2.5 keV) indicated the formation of CuO–FeS blend with no impurities. A mean particle size of 121.9 nm and polydispersity index of 0.150 were displayed by dynamic light scattering analysis and the zeta potential was −29.2 mV. The composites were not toxic to normal 3T3-L1 cells and were not haemolytic even at higher doses. In addition, the stable composites exerted cytotoxic effects on HepG2 cells (IC50 = 250 ± 5.7 μg/mL) and induced cell death by creating a loss in mitochondrial membrane potential and induction of mitochondrial apoptosis in a ROS-independent manner.

Synthesis and crystallinity integration of copper nanoparticles by reaction medium

High crystallinity copper nanoparticles are synthesized by a novel simple route at low temperatures under a measurable condition of altering the medium of the reaction. The effect of altering the reaction medium on reducing the surface energy of precursors to form high crystalline copper nanoparticles from their sulphate precursors due to facilities for the capping of nanoparticles is studied in this manuscript. In this observation, copper sulfate pentahydrate (CSP) precursors follow a reduction in the presence of ascorbic acid (reducer) and their crystallinity gradually changes up to 100 % while the CSP medium is water (X), methanol (Y) and water-methanol azeotropic mixture (Z), respectively. XRD identified a pure 100 % metallic copper crystalline phase presence in Y. Exhaustive lattice parameters, peak profiling, lattice constant etc. analysis of the conformation. TGA data ensures the oxidation initiation of pure Cu to CuO at an initial 30 °C, while the calculated activation energy is 27.93 KJ/mol of Y. An outstanding approach in XRD as well as TEM shows that the average size of the particle close to 16 to 78 nm depends on the solvent medium. Furthermore, TEM-couple SAED parallelly proves this consists of miller indices (111), (200) and (220) in X, Y but Z in a single crystal of metallic copper phase for the phenomenon of parallel line diffraction. TEM shows the internal spherical shape of the nanoparticles varies from the medium with the regular arrangement in a uniform distribution that consists of very low agglomeration. EDS confirms highly purified copper nanomaterials in Y is 83 % among the X and Z. The operating process could be applied to synthesize and integrate the crystallinity, particle size and crystal shape of different metallic nanoparticles by alternating the reaction medium.

Influence of the Geometrical Aspect Ratio on the Magneto-Structural Properties of Co2MnSi Microwires

This present study illustrates the strong effect of geometrical parameters on the magneto-structural properties of Co2MnSi glass-coated microwires prepared using the Taylor–Ulitovsky method. Thus, there are three samples with different geometrical aspect ratios (ρ). The XRD analysis shows a significant change by modifying the aspect ratio; for ρ = 0.42, the main peak with miller indices (220) is recognized as an A2-type disordered cubic structure. For the sample with ρ = 0.46, mixed L21 and B2 cubic structures are observed. Meanwhile, in the sample with a low aspect ratio, ρ = 0.30, the perfect L21 ordered cubic structure is attained. Magnetic characterization has been carried out at a wide range of temperatures and magnetic fields. A significant increase in coercivity and normalized reduced remanence by decreasing the aspect ratio is detected. The change in the magnetic properties is attributed to the modification in the microstructure, which is induced during the fabrication process. Such a dependence on the microstructure and magnetic properties on the ρ-ratio can be associated either with the internal stress distribution and magnitude or with different quenching rates of microwires with different aspect ratios. The current findings demonstrate the tunability of the microstructure and magnetic properties of Co2MnSi-glass-coated microwires simply via a small modification in the geometric properties during the manufacturing process and without excreting any additional post-processing. The variation in the geometric parameters of Co2MnSi glass-coated microwires allows us to tune the magnetic properties and structure, which is essentially advantageous for sensing device development.

Band–gap reduction of aluminum substituted M−type hexagonal ferrite to study its characteristics

The sol-gel auto-combustion approach was used to create a binary combination of Strontium aluminum chromium M−type hexaferrites at the iron site. The hexagonal phase and normal composition of prepared substances were confirmed through X-ray diffraction technique(XRD) and FT-IR spectroscopy. The structural investigation was evaluated using XRD, which determined crystalline size, lattice constants, miller indices, and cell volume. The production of hexaferrite is confirmed by FTIR measurement in all samples. The existence of metal-oxygen bonds on tetrahedral sites and also on octahedral confirms that all prepared samples exhibit M−type hexagonal ferrites. SEM study reveals the morphology of all prepared samples which gives the defined shape and boundary. The UV and Energy gap of all prepared samples were measured to analyze their absorption.

Manufacture of Some Ferrite Compounds with Hexagonal Crystalline Structure and Study of their Structural Properties

PbFe12O19 from this mixture and BaFe12O19 And (Pb (BaFe12O19), as the samples were examined using an X-ray diffraction device, and it was found that the patterns of diffraction rays X-ray (XRD) for the three samples, respectively. I showed Results that All samples are polycrystalline, as shown tops X-ray diffraction of hexa- A with Miller coefficients (Miller indices) (103) and (110) and (107) and (114) and (206) when Bragg diffraction angles 2 θ are equal to 20.90 °, 30.39 °, 32.41 °, 34.30 °, and 42.58 °, respectively.

STAIN FUNGI CONTROL IN PINUS SP. WOOD WITH SILICA MESOPOROUS PARTICLES LOADED WITH ESSENTIAL OILS

The use of essential oils (EO) carried onto mesoporous silica particles (MSPs) was tested to control pinewood stains. Three types of MSPs were synthesizedand physicochemically characterized with N2physisorption (type IV), X-ray diffraction [Miller indices (100), (110), (200)], scanning electron microscopy, zeta potential (negative values), dynamic light scattering (< 200 nm) and thermogravimetric analysis(5% to 10% weight loss). A response surface design was used to find the EO loading conditions to control stain, the latter was measured as colour change with the CIEDE2000formula. The essential oil loading onto MSPC was physicochemically confirmed by a weight loss of 47% in the thermogravimetric analysis. TheCitrus, Syzygiumsp. and Tagetessp. oils carried onto mesoporous particles MSPC (30:1 w/w) controlled the pinewood stain caused by Alternaria sp. andGeosmithia sp. This was demonstrated by the absence of pigmentation and scarce fungal growth.

Changes in the Structure and Properties of Silicon Carbide under Gamma Irradiation

The paper presents the results of comprehensive study of SiC samples, which is one of the most promising materials in the field of semiconductor nanotechnology. The identification and qualitative analysis of a SiC sample was carried out by Raman spectroscopy using an In Via Raman spectrometer. Based on the spectrogram of X-ray phase analysis, the amorphous and crystalline phases of this substance were determined. At the same time, according to the peaks of the spectrogram, based on the Miller indices and inter planar distances dhkl, complex compounds are shown that are newly formed on the basis of silicon carbide. Using the method of IR spectroscopy, the IR spectra of SiC were obtained in the optical range ν = 400-4000 cm−1.

Wet chemical synthesis and characterization of FeVO4 nanoparticles for super capacitor as energy storage device

Vanadates of transition metal found its potential applications in the fields of lithium ion batteries, gas sensors, photo catalysts, solar cells and so on. Among the metal vanadates, Iron vanadate is vital as an organic pollutant remedying, gas sensor material, and selective catalytic reduction material. This current research focuses on synthesizing iron vanadate nanoparticles by wet chemical synthesis with controlled pH using ammonia solution. The nanostructured FeVO4 particle were characterized structurally with the powder XRD studies. Strong crystal planes were formed at Miller indices (111), (0–12), and (−220) which is confirmed from the intensity of the diffraction peaks. FT- IR and micro Raman studies was taken to identify the molecular vibrations present in the material and it shows that the sharpest apex at 508 cm−1 obtained is attributed to the stretching oscillations of Fe–O and V–O–V modes. The Raman spectrum confirmed the separation of Fe − O, V − O, and different stretching fashions of V − O − Fe. The V–O stretching mode increases the intense bands showing the very high strongest peak of FeVO4 because of electro negativity of iron the metal. The morphology of iron vanadate was confirmed with SEM analysis showing that particles are much isolated and cubical with few polyhedron structures. The electrochemical response of FeVO4 evaluated the specific capacitance at 10 mV/s as 402 Fg−1.Energy density values were calculated as 16.08 Whkg−1, 13.08 Whkg−1, 10.2 Whkg−1, 8.76 Whkg−1, 7.64 Whkg−1 and 6.92 Whkg−1 from the cyclic voltammetry profile at the slow rates varying from 10 −100 mV/s. The magnetic properties were analyzed by measuring the magnetic susceptibility and magnetization using a VSM magnetometer and the results evident that the material exhibits the paramagnetic behavior.

The effect of precursor concentration on the crystallinity synchronization of synthesized copper nanoparticles

Highly crystalline copper nanoparticles are formed with Chemical Reduction Method (CRM) by the application of an effective capping agent and changing the precursor concentration. In this study, copper sulphate pentahydrate is used as a precursor which is reduced by ascorbic acid. The synthesized nanoparticles are designated as P, Q and R. These are systematically characterized by X-ray Diffraction (XRD), UV–Visible Spectroscopy (UV), Differential Scanning Calorimetry (DSC), Thermo-gravimetric Analysis (TGA), Transmission Electron Microscope (TEM) coupled with Energy Dispersive X-ray Spectroscopy (EDS). XRD ensured that the crystalline phase gradually changes from 79% to 96% with the change in precursor concentration from 0.08 M to 0.10 M. UV analysis shows that due to the high conductivity of copper nanoparticles might have caused the redshift at 630–634 nm. TGA show the energy of activation (Ea) of P is 22.90 KJ/mol which is more reactive than Q and R. An excellent arrangement in XRD and TEM confirms the average particle size near about 40 nm, with consists of crystal plane (111), (200) and (220). SAED confirmed the particles are elongated with the miller indices of the synthesized nanomaterials on (111), (200) and (220) planes. The EDS confirmed the purity of nanomaterials up to 86%. The adopted process may be employed to synthesize and synchronize the crystallinity of other metal nanoparticles.

Silk Sericin Protein: Turning Discarded Biopolymer into Ecofriendly and Valuable Reducing, Capping, and Stabilizing Agent for Nanoparticles Synthesis Using Sonication

AbstractThis current study is designed to incorporate sericin protein as a reducing, capping, and stabilizing agent to synthesize sonication‐mediated silver nanoparticles. Fabrication of sericin‐reduced silver nanoparticles (Sr‐AgNPs) is confirmed using UV–visible spectrophotometry, zeta sizer, scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), X‐Ray diffraction (XRD), and thermogravimetric analysis (TGA). UV–Vis spectral peak of Sr‐AgNPs is observed at 420–440nm while the average size is found between 3 to 30 nm. SEM also confirms the reduction of large‐sized (1–40 µm) sericin macromolecules into nanometric hexagonal and triangular silver nanoparticles with a normal distribution (polydispersity index > 0.5). FTIR peaks from 500 to 4000cm−1 are analyzed for sericin while Sr‐AgNPs peaks with minor shifts (700–1000 cm−1 (COOCO stretching) in Sr‐AgNPs) are also observed. XRD peaks of 2θ at 27° with multiple low peaks at 38.2°, 47°, 49°, and 63.8° authenticate the amorphous nature of sericin and sharp peaks at 36°, 48°, 54.3°, and 61.9° with miller indices (hkl) of 98, 111, 200, and 211, assess the crystalline structure of Sr‐AgNPs. TGA reveals that sericin enhances the stability of silver NPs at high temperature (200–600 °C) by lowering the percentage weight loss from 70–80% to 60–65%.

Cellulose nanocrystals doped silver nanoparticles immobilized agar gum for efficient photocatalytic degradation of malachite green

The present study involves the synthesis of green functional material based on the silver nanoparticle (Ag NPs) doped cellulose nanocrystals (CNC) immobilized agar gum (AA) biopolymer using chemical coprecipitation method. The stabilization of Ag NPs in cellulose matrix and functionalization of the synthesized material through agar gum was analyzed using various spectroscopic techniques such as Fourier Transform Infrared (FTIR), Scanning electron microscope (SEM), Energy X-Ray diffraction (EDX), Photoelectron X-ray (XPS), Transmission electron microscope (TEM), Selected area energy diffraction (SAED) and ultraviolet visible (UV–Vis) spectroscopy. The XRD results suggested that the synthesized AA-CNC@Ag BNC material is composed of 47 % crystalline and 53 % amorphous nature having distorted hexagonal structure due to capping of Ag NPs by amorphous biopolymer matrix. The Debye-Scherer crystallite sized was calculated as 18 nm which is found in close agreement with TEM analysis (19 nm). The SAED yellow fringes simulates the miller indices values with XRD patterns and supported the surface functionalization of Ag NPs by biopolymer blend of AA-CNC. The XPS data supported the presence of Ag0 as indexed by Ag3d orbital corresponding to Ag3d3/2 at 372.6 eV and Ag3d5/2 at 366.6 eV. The surface morphological results revealed a flaky surface of the resultant material having well distributed Ag NPs in the matrix. The EDX and atomic concentration results given by XPS supported the presence if C, O and Ag in the bionanocomposite material. The UV–Vis results suggested that the material is both UV and visible light active having multiple SPR effects with anisotropy. The material was explored as a photocatalyst for remediation of wastewater contaminated by malachite green (MG) using advance oxidation process (AOP). Photocatalytic experiments were performed in order to optimize various reaction parameters such as irradiation time, pH, catalyst dose and MG concentration. The obtained results showed that almost 98.85 % of MG was degraded by using 20 mg of catalyst at pH 9 for 60 min of irradiation. The trapping experiments revealed that •O2− radicals played primary role in MG degradation. This study will provide new possible strategies for the remediation of wastewater contaminated by MG.

Evolution hydrothermal aging resistance mechanism study of zirconium and manganese doped CeO2 catalysts in soot catalytic combustion based on low Miller indices crystal surface effect

The thermogravimetric analysis (TGA) experiments were carried out to reveal the mechanism of Zr and Mn doping on catalytic activity of CeO2 catalyst both fresh and after hydrothermal aging, and the lattice morphology and valence changes were characterized by means of Brunauer–Emmett–Teller (BET) method, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and H2-temperature programmed reduction (H2-TPR). Density functional theory (DFT) and molecular thermodynamics calculations were applied to investigate the change in catalytic activity, crystal surface energy and crystal morphology caused by hydrothermal aging. The maximum reaction rate temperature of fresh Mn/CeO2 (389 °C) is similar to that of CeO2 (371 °C) and lower than that of Zr/CeO2 (447 °C), but the catalytic performance of CeO2 decreases more severely after hydrothermal aging. The catalyst crystals show different degrees of crystal surface migration after hydrothermal aging, which leads to the reduction of Ce3+/Ce4+ ratio and the active sites shift. DFT calculations indicate that the doping of Zr and Mn reduces the surface energy of the low Miller indices surface and increases the oxygen vacancy formation energy, leading to better thermal stability and lower catalytic activity. The Zr and Mn doping also changes the adsorption energy and Gibbs free energy of H2O, which dominates the migration of (1 1 1) to (1 1 0) and (1 0 0) in the vapor environment. The crystal surface migration mechanism of CeO2 catalysts doped with Zr and Mn induced by H2O molecules at high temperature obtained in this study can provide a valuable addition to the regeneration of CeO2 catalysts in the after-treatment systems of diesel engines.

An Investigation on Synthesis of Silver Nanoparticles

Introduction: Nano science and nano biotechnology provided enormous opportunities for exploring the bactericidal and fungicidal activities. Since ancient times, silver was known for its anti-bacterial effects and for centuries it has been used for prevention and control of disparate infections. On the effective use silver nanomaterials synthesized and characterized play a vital role of the modern science.
 Aims: Our goal is to prepare silver nanomaterials since studies have shown that silver nanoparticles have efficient activity against bacterial biofilms.
 Methodology: The silver nanoparticles were generally synthesized by non-aqueous sol-gel technique in the presence of different precursor by chelating agent.
 Results: Here found a cubic unit cell with miller indices (111) (200) (220) (311) (222) and crystallite size around 50.00nm by XRD. The morphology of the prepared nano particles has been revealed by SEM below 10.00 nm and TEM is below 5.00nm in size of graphical presentation such as size, shape, surface etc. of the nanoparticles. DLS is a unique technique to discern particle size around 65.00nm and size distributions in aqueous or physiological solutions of the nanoparticles.
 Conclusion: The studies on the combined synthesized and use of AgNPs with other antimicrobial agents generally help reduce the problem of toxicity and to avoid the potential for development of resistance and strongly enhance the microbicidal effect. This paper describes a short and very precise description about the chemical synthesis process of silver nanoparticles like no aqueous SGM. Also, this paper contains a brief description about different characterization technique of nanoparticles like X-ray Diffraction review the shape of crystal a cubic unit cell with miller indices (111) (200) (220) (311) (222) where crystallite size around 50.00nm, the morphology of the prepared nanoparticles has been revealed with size 10.00nm by SEM, Dynamic Light Scattering discern particle size around 65.00nm and Transmission Electron Microscope review the spherical shape of the nanomaterials. Further investigation will be continuing the antimicrobial activity test of AgNPs with ceramic coating.

Comparative Study of Methods to Present the Results of Texture Analysis of Polycrystalline Materials

It is necessary to use various methods of texture analysis at all stages of the technological processing of metals and alloys in order to select the optimal parameters for processing materials and obtain the necessary properties of final products. The article deals with the methods of presenting the results of texture analysis. Usually, the texture of a material is described by several preferred texture components, where the way of representation depends on the given task. The textural components combine the orientations of crystals having similar position in the sample volume. The results of texture analysis are the distribution of orientations relative to the base coordinate system. Orientation is described by four parameters: three coordinates in space and intensity, which is defined as the probability of occurrence of this orientation in the sample. Methods for representing the orientation of a single crystal by several descriptors: Euler angles, Miller indices, Rodrigues vectors, etc., each describing the rotation of the crystal coordinate system relative to the selected sample coordinate system, are given in the article. The formulae for the transition from one descriptor to another are given. The texture calculation algorithms depend on the way orientations are represented. Some representations are more convenient to use for calculations, others - for visualization and data processing. In particular, the use of the Rodrigue space allows not only to visualize the orientation cloud, but also to form textural components in it with a given accuracy by clustering. Variants of the analysis result presentation are shown in a model example. The textural components computed with high accuracy are displayed in the spaces of Euler angles and Rodrigues vectors. The orientation distributions are shown as a histogram and a pole figure {001}.