Crystalline Aluminum Research Articles

Mullite Synthesis Using Porous 3D Structures Consisting of Nanofibrils of Aluminum Oxyhydroxide Chemically Modified with Ethoxysilanes

Nanocrystalline mullite was synthetized by annealing a highly porous 3D structure consisting of nanofibrous aluminum oxyhydroxides treated with ethoxysilanes. The chemical, structural, and phase transformations in the aluminosilicate nanosystem were studied in the temperature range between 100 and 1600 °C. The features of the solid-phase synthesis of mullite at the interface of crystalline alumina with a liquid silica layer are discussed. It was established that chemical modification of the alumina surface with ethoxysilanes significantly limits the interphase mass transport and delays the phase transformation of the amorphous oxide into γ-Al2O3, which begins at temperatures above 1000 °C, while the basic structural nanofibrils are already crystallized at ~850 °C. The formation of mullite was completed at temperatures ≥ 1200 °C, where the fraction of γ-Al2O3 sharply decreased.

Influence of the stoichiometric ratio of barrier layer alumina on the transport properties of Josephson junctions

In the field of quantum computing, the Josephson junction is one of the main components for generating superconducting qubits. The material defects present in the junction affect the stability and reproducibility of qubits, which consequently limits the performance of quantum computing. In this paper, we conduct a detailed study of the crystal structure of alumina at different stoichiometric ratios and its electrical properties using density-functional theory (DFT). Additionally, we simulate the amorphous structure at various stoichiometric ratios using molecular dynamics methods. Our results show that a decrease in the oxygen content in the crystalline alumina material leads to a linear reduction in the bandgap. We then construct Josephson junction models with different stoichiometric ratios of the barrier layer based on our study, and calculate the equilibrium conductance for each model using the Non-equilibrium Green’s Function (NEGF) method. Our results indicate that the structure of the barrier layer significantly affects the electrical properties of the Josephson junction. Moreover, the stoichiometric ratio of alumina is a critical parameter that results in exponential variations in the equilibrium conductance. In summary, we seek to elucidate the role that variations in the stoichiometric ratio of the oxide play in the transport properties of the junction. Our findings provide a theoretical basis for improving the stability and performance of superconducting qubits.

The Dustiest Galactic S Stars: Mid-infrared Spectra from SOFIA/FORCAST

We present spectra of 12 of the reddest, and hence dustiest, S stars in the Milky Way, observed with the FORCAST grisms on SOFIA. S stars are asymptotic giant branch (AGB) stars with C/O ∼ 1, so their molecular and dust chemistries are dominated by neither O nor C, often leading to atypical spectral features from their molecules and dust grains. All of the stars in our sample have strong dust emission features at 10–11 μm, but the shape of the feature in most of the stars differs from the shapes commonly observed in either oxygen-rich or carbon-rich AGB stars. Two stars also show the 13 μm feature associated with crystalline alumina. Two have a water absorption band at ∼6.5–7.5 μm, and a third has a tentative detection, but only one of these three has the more common SiO absorption band at 7.5 μm. Three others show a red 6.3 μm emission feature from complex hydrocarbons consistent with “Class C” objects, and in a fourth it appears at 6.37 μm, redder than even the standard Class C hydrocarbon feature. Class C spectra typically indicate complex hydrocarbons that have been less processed by UV radiation, resulting in more aliphatic bonds relative to aromatic bonds. None of the S stars show a strong 11.3 μm hydrocarbon feature, which is also consistent with the presence of aliphatic hydrocarbons.

Control of crystal orientation for enhanced triboelectric nanogenerator design

Triboelectric nanogenerators (TENGs) have shown promise in converting mechanical energy into electrical energy and are gaining attention in energy harvesting for self-powered sensors. Although extensive strategies have been explored to enhance TENG performance through new materials development and chemical/physical modification, the influence of crystal orientation has been mostly overlooked. In this work, we investigated the effect of crystal orientation on TENG output using [012] and [001]-oriented single crystalline alumina as a triboelectric material. Our comprehensive characterization and analysis show that the [001]-oriented alumina is a more positive triboelectric material than the [012]-oriented alumina. We also analyzed the root cause of the enhanced TENG performance. Our findings emphasize the importance of crystal orientation in TENG design and provide insights into the underlying mechanism governing this triboelectrification effect.

Characterization of Graphite and ZrO2 Reinforced Aluminium Metal Matrix Composite For Enhanced Mechanical Properties in Electronics Applications

Abstract The objective of this work is to examine the wear properties of a hybrid Metal Matrix Composite (MMC) consisting of 92 weight percent (wt. %) Aluminium Alloy 6061 (AA6061), 2 wt. % Graphite (C), and 6 wt. % Zirconium Dioxide (ZrO2). It was previously determined that this composition was ideal for improved metallurgical and mechanical properties. Nine specimens of the same composition were fabricated for this continuation work and put through wear tests with different applied load, sliding velocity, and sliding distance settings. To evaluate the performance of the composite, measurements were made of the wear rate and Coefficient of Friction (COF). According to the results, the wear rate typically increased as the applied load and sliding velocity increased. At the lowest load (10 N) and velocity (2 m/s), the lowest wear rate (50.90 µg) and COF (0.197) were noted. Specimens with lower wear rates had smoother surfaces and less wear, as revealed by SEM analysis of the worn surfaces; specimens with higher wear rates showed more significant surface damage, such as deeper cuts and serrations. In specimens with less wear, XRD analysis verified the presence of crystalline aluminium, indicating a strong correlation between wear resistance and the crystalline structure of the composite. Linear regression equations were created to predict wear behavior under different conditions. According to the results, the composite's wear characteristics are greatly influenced by the sliding velocity and applied load. ZrO2 and C together have lubricating and strengthening properties that, under certain circumstances, reduce wear. The composite exhibits potential for usage in electronics applications, especially in components where wear resistance and mechanical durability are critical due to its favorable wear characteristics and mechanical properties.

Non-thermal plasma-catalytic ammonia synthesis over alumina-supported iron catalyst: Insights into the effect of alumina calcination temperature

Non-thermal plasma-catalytic ammonia synthesis (NTPCAS) has been regarded as a promising route to store hydrogen by utilizing renewable electricity. Alumina is a suitable support of the catalysts in NTPCAS and its properties can influence the performance of catalysts remarkably. In this study, the influence of the alumina calcination temperatures (Tc) on the catalytic performance of Fe-Al-x (x represents the value of Tc) was analyzed in a dielectric barrier discharge (DBD) reactor for NTPCAS. The results suggested that an increase in Tc transforms the alumina crystalline from γ phase to α phase. The best performance with a synthesized ammonia concentration of 11833 ppm was achieved over Fe-Al-900 with coexisting γ and θ phases of alumina under N2: H2 = 1:1 and SEI = 37.05 kJ/L conditions, which was 37 % higher than that of Fe-Al-800 with only γ phase. In addition, the larger Tc (i.e. 1100 and 1200 °C) decreased the specific surface area, increased the mean catalyst particle size, and led to the non-uniform dispersion of Fe species. The NH3-TPD and XPS studies suggested that an increase in Tc could influence the surface acidity and oxygen vacancy concentration of Fe catalysts, which were crucial to adjusting the catalytic activity for NTPCAS. This study clarifies the value of a suitable design of support of catalysts for improving NTPCAS.

Research Progress on the Microstructure Evolution Mechanisms of Al-Mg Alloys by Severe Plastic Deformation.

Al-Mg alloys are widely used as important engineering structural materials in aerospace engineering, transportation systems, and structural constructions due to their low density, high specific strength, corrosion resistance, welding capability, fatigue strength, and cost-effectiveness. However, the conventional Al-Mg alloys can no longer fully satisfy the demands of practical production due to difficulties caused by many defects. The high strength of Al-Mg alloys as non-heat treatment precipitation-strengthened alloys is achieved primarily by solid solution strengthening along with work hardening rather than precipitation strengthening. Therefore, severe plastic deformation (SPD) techniques can be often used to produce ultrafine-grained structures to fabricate ultra-high strength aluminum alloys. However, this approach often achieves the strengthening of material at the cost of reduced ductility. This paper comprehensively summarizes the various approaches of ultrafine/nanocrystalline materials for enhancing their plasticity, elaborates on the creation of a bimodal microstructure within the alloy, and discusses the formation of a nanotwin microstructure within the alloy and the incorporation of dispersed nanoparticles. The mechanisms underlying both the strengthening and toughening during large plastic deformation in aluminum alloys are summarized, and the future research direction of high-performance ultrafine crystalline and nanocrystalline Al-Mg aluminum alloys is prospected.

Alumina coatings on Ni-based superalloys: The impact of annealing on heavy oil fouling

As the sweet crude oil reserves decline, refiners must treat sulfur-rich heavy oil, requiring harsher operating conditions, which are detrimental to process equipment. Application of coatings on critical components protects surfaces against sulfidation, corrosion, and fouling, extends the equipment's lifetime, and reduces the frequency of costly turnarounds. In the present work, we coated Inconel 625 and Inconel 718 substrates with amorphous alumina thin films at room temperature using reactive RF magnetron sputtering. Annealing of the deposited coatings at 800, 900, and 1000 °C increased hardness, improved adhesion, and generated crystalline polymorphs, predominantly γ-Al2O3 at lower temperatures, while α-Al2O3 was present at 1000 °C. The annealed substrates formed thermally grown oxides (TGOs), which interacted with the alumina coatings. The TGOs followed grain boundaries in the case of IN718 and a crater-like pattern on IN625. Annealed substrate precipitates generated columnar-like protrusions responsible for inducing crack propagation, which exhibited TGO formation. After 2 h exposure to heavy oil (containing 0.06 g g−1 sulfur) at 450 °C and 11.3 MPa the as-deposited amorphous alumina presented no clear sign of adherent fouling, while the 1000 °C annealed crystalline alumina surfaces presented evidence of fouling.

Hydration characteristics and hydration products of calcium sulfoaluminate cement and fly ash blended pastes

This study investigated a binary blend of calcium sulfoaluminate cement and fly ash with a target compressive strength of more than 32.5 MPa based on the EN 197-1 standard, using as much fly ash as possible. In the binder system of calcium sulfoaluminate cement and fly ash, a decrease in the replacement level of fly ash results in an increase in compressive strength. Mortar with a 40% replacement level of fly ash for calcium sulfoaluminate cement and added gypsum shows 49.41 MPa strength at 28 d. Its hydrates are hydroxy-AFm, ettringite, crystalline aluminum hydroxide, amorphous aluminum hydroxide, strätlingite, and monosulfate. They are attributed to the hydration of ye’elimite, C2S, and C3A in calcium sulfoaluminate cement. The reactivity of fly ash is not observed until 28 d of hydration. The formation of ettringite is the main cause of the gains in compressive strength.

Acidic pathway in formation of SiO2–AlO2–PO2 geopolymeric ceramic: Investigation of structural evolution and electrical behaviour

The investigation into the acidic pathway in geopolymer formation has been overlooked compared to the alkaline pathway. This study seeks to fill the gap by exploring the development mechanism and electrical properties of this type of geopolymer. The microstructural properties of geopolymer ceramics were assessed through the deconvolution of attenuated total reflectance-Fourier-transform infrared spectra (ATR-FTIR), powder X-ray diffraction (PXRD), scanning electron microscopy with energy dispersive spectroscopy (SEM/EDS), simultaneous thermogravimetric analysis and differential thermal analysis (TGA/DTA). Furthermore, the electrical properties of the prepared ceramics were monitored using solid-state impedance spectroscopy (ss-IS). Maintaining an Al to P molar ratio of 1:1, various post-treatment temperatures (60 °C, 105 °C, 300 °C, 1200 °C) were employed to observe their effects on the (micro)structural properties of the samples under investigation. This ratio ensures the formation of an amorphous structure of SiO2·Al2O3·P2O5·nH2O. Additionally, the emergence of new crystalline aluminium and phosphate phases was observed.

Study on the microstructure and mechanical properties of hot rolled nano-ZrB2/AA6016 aluminum matrix composites by friction stir processing

In this paper, in-situ ZrB2/AA6016 particle-reinforced aluminum matrix composites were prepared in molten A6016 aluminum alloy melt by KBF4-Al- K2ZrF6 reaction system. For the first time, this paper presents that after casting, the composites would be subjected to large strain hot rolling (LSHR) with 60 % undercutting and then friction stir processing (FSP) with a stirred probe speed of 1200 r/min and a traveling speed of 60 mm/min. To study the microstructure and mechanical properties of composites strengthened by large strain hot rolling combined with friction stir processing. The results show that the tensile strength of the base material is 140.1 MPa, the elongation is 46.3 %, the product of strength and elongation reaches 6.5 GPa%, and the average hardness is 43.4 HV; The tensile strength of LSHR+FSP nugget zone is 163.4 MPa, the elongation is 78.9 %, the product of strength and elongation reaches 12.9 GPa %, which is about 98.6 % higher than the base material, and the average hardness is 59.8 HV, which is about 37 % higher than the base material. SEM, EBSD, and TEM analyses showed that the average grain size is refined from 189.7 μm to 3.8 μm after LSHR+FSP. The ZrB2 particles are sufficiently fragmented, with a particle size of about 20 nm, and uniformly dispersed in the matrix. This study provides the theoretical and experimental basis for applying nanoscale ZrB2 particles reinforcing ultrafine crystalline aluminum matrix composites prepared by LSHR + FSP.

The performance and mechanism of HCHO oxidation on Pt/Al2O3 catalysts: The effect of alumina crystalline phase and surface hydroxyls

The performance and mechanism of formaldehyde (HCHO) oxidation on Pt/γ-Al2O3, Pt/θ-Al2O3 and Pt/α-Al2O3 catalysts were investigated, focusing on the impact of OH species, H2O participation and the difference in Pt sites. Characterization revealed that the catalytic performance of Pt/Al2O3 catalysts is predominantly influenced by surface OH rather than other factors. Through CO-TPR and 2D COS analysis, the existence and functions of Pt-OH and Al-OH were distinguished, along with the active and spectator formate species derived therefrom. The introduction of H2O promotes the regeneration of Pt-OH, as well as the migration of intermediate species, which explains the enhancement on catalytic performance under relative humidity. Meanwhile, the proportion of partially oxidized Pt/Pt-terrace/Pt-step would impact the ability of Pt-OH replenishment, further influencing the catalytic activity. These findings highlight the critical role of surface OH species and provide a deeper insight into understanding the OH-effected mechanism in HCHO oxidation.

An atomistic simulation study on ductility of amorphous aluminum oxide

Aluminum oxide is a widely recognized structural ceramic material known for electrical insulation and wear/corrosion resistance. Recent studies have challenged the conventional perception of brittleness by uncovering remarkable plasticity in amorphous aluminum oxides. To further enhance the fracture toughness of aluminum oxides and expand their applications in fields requiring resistance, it is crucial to analyze the factors influencing the tensile deformation process and investigate the underlying origins of ductility. In this study, molecular dynamics simulations were employed to compare the ductility of amorphous aluminum oxides with crystalline aluminum oxides and other amorphous ceramic oxides. Our findings indicate that the degree of crystallinity significantly influences ductility. Moreover, the simulations revealed that amorphous aluminum oxides exhibit the highest total elongation among binary structural ceramic oxides such as TiO2 and SiO2, underscoring the intrinsic plasticity of aluminum oxide. Furthermore, we discovered that aluminum oxides possess a low bond-dissociation energy (EBD) compared to other structural ceramic oxides, leading to a higher occurrence frequency of plastic deformation mechanisms. Based on these observations, low EBD could be proposed as the probable indicator that enables the estimation of ductility of structural amorphous oxides without resorting to complex atomistic simulations. This quantitative criterion, based on an easily accessible material property, provides valuable guidance for predicting the ductility of newly-designed structural ceramic materials.

Feasibility and sludge analysis of electrocoagulation process for Direct Violet-35 dye remediation

The present study investigates Direct Violet-35 (DV-35) remediation using electrocoagulation process. DV-35 which is an industrial azo dye, after release significantly affects the visual appearance of water bodies and hinders the process of photosynthesis affecting plant growth. Perturbing the food chain, it promotes toxicity, mutagenicity, and carcinogenicity. Therefore, dye remediation is essential before discharge into water streams. To determine the effectiveness of the electrocoagulation process for DV-35 dye remediation, and understand the influence of parameters like current density, inter-electrode spacing, concentration of electrolyte, pH, agitation speed, and initial dye concentration, a detailed study was carried out. Maximum removal efficiency (>98 %) was achieved in 16 min at 263.15 A/m2 current density and pH 7.2 for DV-35 concentration of 50 to 500 mg/L. Further, optimized parameters were applied to real textile effluent achieving 99.8 % efficiency. EC mechanism was corroborated by Sips isotherm matching adequately with experimental results. The findings also demonstrated a heterogeneous surface of the produced EC flocs. Pseudo-second-order was obtained with a low operating cost of 0.0018 US $/m3. The DV-35 removal and functional groups were confirmed by UV/VIS and Fourier transforms infrared spectroscopy analysis. The sludge was examined by X-ray Diffraction and Scanning Electron Microscope revealing Crystalline aluminum oxides i.e. bayerite (Al(OH)3) and diaspore (AlO(OH)). The conclusion of the results revealed EC to be an effective and economical technique for DV-35 remediation from textile wastewater.

Suppression of inactive sites in NiMo@amorphous alumina catalysts for hydrodesulfurization reaction: Effect of Ga doping

Hydrodesulfurization (HDS) reaction activity depends on the formation of active NiMoS (completely sulfided multilayer type 2 sites) and inactive NiAl2O4/NixSy phases on the catalyst surface. These inactive phases not only itself inactive for the reaction but also hinder the formation of active NiMoS phases. In addition, the formation of strong Mo-O-Al bonds also lowers the reducibility of the catalyst, suggesting lesser catalytic activity (type 1 sites, partially sulfided single-layer sites). To this end, we report the formation of NiMo/Ga doped amorphous alumina (A-Al2O3) catalysts prepared by the colloidal synthesis method. A-Al2O3 was chosen as a support because it has lower surface energy, better physicochemical properties, and enhanced acidic sites than the crystalline alumina phase, which favours the formation of type 2 sites or weak metal-support interaction (completely sulfided multilayer NiMoS sites). Further, the Ga doping in A-Al2O3 support substitute the tetrahedral Al sites and form GaAl2O4 phases by reducing NiAl2O4 inactive sites, and the free Ni decorate the edges of MoS2 to form HDS active NiMoS sites. Therefore, NiMo/Ga doped A-Al2O3 catalyst (at 1 wt% Ga loading) reported enhanced HDS catalytic activity (25%), HDS reaction rate constant (kHDS-2.15 times) and turn over frequency (TOF-1.3 times) than the conventional NiMo/γ-Al2O3 catalysts.

Sorption of Sulfur in Highly Leached Humid Soils of North East India

ABSTRACT High rainfall areas suffer from severe leaching loss of sulfate owing to their negatively charged nature. Sorption of sulfur (S) onto soil particles protect it from leaching out of the system. The S-sorption characteristics in humid soils from north-eastern India was studied with the objective to identify factors controlling S-sorption behavior in these acidic soils. Soils were collected from six different locations of north-eastern India. The soils were equilibrated with increasing concentrations of S for the sorption study, and later equilibrated with 0.01 N CaCl2 for desorption study. Results were fitted to three different isotherm models (Freundlich, Langmuir and Tempkin). The data fitted well to all three isotherm models. However, Freundlich adsorption isotherm yielded the best fit. Sorption parameters like S-sorption maxima (k), bonding energy (b), adsorption capacity (K), bonding energy constant (A) were positively correlated with the clay and, crystalline iron (Fe) and aluminum (Al) content in soil. Supply parameter increased with the increasing concentration of sulfate, while equilibrium buffering capacity was found decreasing. Soils from Nongpoh and Mustem with higher clay and crystalline Fe and Al content exhibited higher S-sorption capacity, whereas those of Padu having lowest clay content reported least S-sorption. It is recommended that in a soil having low S-sorption capacity, the minimal amount of S should be applied at a time.

Improve the Insulation Performance of Anodic Coating by Plasma Discharge Treatment

Since the plasma discharge treatment has been applied for the insulation enhancement of anodic coatings, we explored how the current density impacted the coating insulation performance. SEM, XRD and electrochemical workstation were utilized for identifying the coating crystallinity, compactness and impedance. As demonstrated by results, the anodic coating is transformable into compact crystalline alumina at a 30-mA/cm2 current density, whose impedance is twice that of original anodic coating.

Combined Experimental and Computational Insight into the Role of Substrate in the Synthesis of Two-Dimensional WSe2.

Synthesis of large-area transition-metal dichalcogenides (TMDs) with controlled orientation is a significant challenge to their industrial applications. Substrate plays a vital role in determining the final quality of monolayer materials grown via the chemical vapor deposition process by controlling their orientation, crystal structure, and grain boundary. This study determined the binding energy and equilibrium distance for tungsten diselenide (WSe2) monolayers on crystalline and amorphous silicon dioxide and aluminum dioxide substrates. Differently oriented WSe2 monolayers are considered to investigate the role of the substrate in the orientation, binding strength, and equilibrium distance. This study can pave the way to synthesizing high-quality two-dimensional (2D) materials for electronic and chemical applications.

Dislocations/Defects analysis in III-V nitrides - a cost effective MOCVD epitaxy solution

In present paper an innovative technique to reproduce the epitaxial growth results through lateral flow metal organic chemical vapor deposition (MOCVD) reactor process at atomistic scale is reported. It includes the equivalent MOCVD reactor geometry architecture of AIXTRON 200/4 RF-S horizontal flow reactor. The gas- and surface phase chemical reaction kinetics and thermodynamics are given due consideration in the present study without use of any continuum or fluid dynamics models. The optimum conditions are extracted by running design of experiments over TNL-EpiGrow simulator to achieve high crystalline quality aluminum nitride (AlN) films over Si (111) substrate. The impact of variation in precursor NH3 flow rates and carrier gas N2 pressure are used to predict the conditions to optimize the improved morphology and quality of the AlN films. The defects densities are characterized in terms of vacancies and dislocation densities. The roughness and lattice parameters are extracted. The growth rates obtained in present studies are compared against reported the similar experiments. The excellent agreement is observed between experimental and simulated results. The dislocation densities in grown samples are also found in good agreement with the similar experimental reported densities in each sample.

Understanding the spall behaviors of single crystalline aluminum under double decaying shock loadings: Atomistic simulations and theoretical models

The shock responses of single crystalline aluminum under double decaying shock loadings are systematically studied by atomistic simulations and theoretical models. Two successive spall events in the same region are observed, which were controlled by voids formation-collapse-formation mechanism. The spall strength for the second spallation was significantly reduced and gradually decreased with increasing time interval. The important dynamic properties, such as spall strength and void nucleation threshold, are significantly different and depend on microstructure and temperature. Furthermore, an analytical expression has been developed to quantify the temperature effect on the nucleation threshold for the second spallation. The damage evolution of two successive spall events in the same region is described by a combination of a nucleation threshold model and a nucleation-and-growth model complemented with the voids collapse process. The voids volume fractions from theoretical models and simulations show good agreement, demonstrating that the theoretical models are feasible for describing the nucleation threshold variation and damage evolution under double decaying shock loadings. The spall behaviors and theoretical models provide insights into further understanding the dynamic responses under complex shock loadings.