Search results for: X-ray amorphous

Authors: Farid M. Abdel-Rahim

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In this study, Se90Te7Cu3 chalcogenide glass was prepared using the melt quenching technique. The amorphous nature of the as prepared samples was confirmed by scanning electron microscope (SEM). Result of differential scanning calorimetric (DSC) under nonisothermal condition on composition bulk materials are reported and discussed. It shows that these glasses exhibit a single-stage glass transition and a single-stage crystallization on heating rates. The glass transition temperature (Tg), the onset crystallization (Tc), the crystallization temperature (Tp), were found by dependent on the composition and heating rates. Activation energy for glass transition (Et), activation energy of the amorphous –crystalline transformation (Ec), crystallization reaction rate constant (Kp), (n) and (m) are constants related to crystallization mechanism of the bulk samples have been determined by different formulations.

Keywords: chalcogenides, heat treatment, DSC, SEM, glass transition, thermal analysis

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Authors: Shalini Arora, Sri Sivakumar

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The deep removal of high molecular weight sulphur compounds (e.g., 4,6, dimethyl dibenzothiophene) is challenging due to their steric hindrance. Hydrogenation desulfurization (HYD) pathway is the main pathway to remove these sulfur compounds, and it is mainly governed by the number of type 2 sites. The formation of type 2 sites can be enhanced by modulating the pore structure and the interaction between the active metal and support. To this end, we report the enhanced HDS catalytic activity of ultrasmall NiMo supported on amorphous alumina (A-Al₂O₃) catalysts by one pot colloidal synthesis method followed by calcination and sulfidation. The amorphous alumina (A-Al₂O₃) was chosen as the support due to its lower surface energy, better physicochemical properties, and enhanced acidic sites (due to the dominance of tetra and penta coordinated [Al] sites) than crystalline alumina phase. At 20% metal oxide composition, NiMo supported on A-Al₂O₃ catalyst showed 1.4 and 1.2 times more reaction rate constant and turn over frequency (TOF) respectively than the conventional catalyst (wet impregnated NiMo catalysts) for HDS reaction of dibenzothiophene reactant molecule. A-Al₂O₃ supported catalysts represented enhanced type 2 sites formation (because this catalystpossesses higher sulfidation degree (80%) and NiMoS sites (19.3 x 10¹⁷ sites/mg) with desired optimum stacking degree (2.5) than wet impregnated catalyst at same metal oxide composition 20%) along with higher active metal dispersion, Mo edge site fraction. The experimental observations were also supported by DFT simulations. Lower heat of adsorption (< 4.2 ev for MoS2 interaction and < 3.15 ev for Ni doped MoS2 interaction) values for A-Al₂O₃ confirmed the presence of weaker metal-support interaction in A-Al₂O₃ in contrast to crystalline ℽ-Al₂O3. The weak metal-support interaction for prepared catalysts clearly suggests the higher formation of type 2 sites which leads to higher catalytic activity for HDS reaction.

Keywords: amorphous alumina, colloidal, desulfurization, metal-support interaction

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Authors: Ali Obeydavi, Majid Rahimi

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This study explores the synthesis and characterization of Fe-Cr-Mo-Co-C-B-Si thin film metallic glasses fabricated using the pulsed laser deposition (PLD) technique on silicon wafer and 304 stainless steel substrates. it systematically varied the laser pulse numbers (20,000; 30,000; 40,000) and energies (130, 165, 190 mJ) to investigate their effects on the microstructural, mechanical, and corrosion properties of the deposited films. Comprehensive characterization techniques, including grazing incidence X-ray diffraction, field emission scanning electron microscopy, atomic force microscopy, and transmission electron microscopy with selected area electron diffraction, were utilized to assess the amorphous structure and surface morphology. Results indicated that increased pulse numbers and laser energies led to enhanced deposition rates and film thicknesses. Nanoindentation tests demonstrated that the hardness and elastic modulus of the amorphous thin films significantly surpassed those of the 304 stainless steel substrate. Additionally, electrochemical polarization and impedance spectroscopy revealed that the Fe-based metallic glass coatings exhibited superior corrosion resistance compared to the stainless steel substrate. The observed improvements in mechanical and corrosion properties are attributed to the unique amorphous structure achieved through the PLD process, highlighting the potential of these materials for protective coatings in aggressive environments.

Keywords: thin film metallic glasses, pulsed laser deposition, mechanical properties, corrosion resistance

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Authors: Ali Rahnamoun, Adri van Duin

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The concept of high velocity particle impact on the spacecraft surface materials has been one of the important issues in the design of such materials. Among these particles, water clusters might be the most abundant and the most important particles to be studied. The importance of water clusters is that upon impact on the surface of the materials, they can cause damage to the material and also if they are sub-cooled water clusters, they can attach to the surface of the materials and cause ice accumulation on the surface which is very problematic in spacecraft and also aircraft operations. The dynamics of the collisions between amorphous silica structures and water clusters with impact velocities of 1 km/s to 10 km/s are studied using the ReaxFF reactive molecular dynamics simulation method. The initial water clusters include 150 water molecules and the water clusters are collided on the surface of amorphous fully oxidized and suboxide silica structures. These simulations show that the most abundant molecules observed on the silica surfaces, other than reflecting water molecules, are H3O+ and OH- for the water cluster impacts on suboxide and fully oxidized silica structures, respectively. The effect of impact velocity on the change of silica mass is studied. At high impact velocities the water molecules attach to the silica surface through a chemisorption process meaning that water molecule dissociates through the interaction with silica surface. However, at low impact velocities, physisorbed water molecules are also observed, which means water molecule attaches and accumulates on the silica surface. The amount of physisorbed waters molecules at low velocities is higher on the suboxide silica surfaces. The evolution of the temperatures of the water clusters during the collisions indicates that the possibility of electron excitement at impact velocities less than 10 km/s is minimal and ReaxFF reactive molecular dynamics simulation can predict the chemistry of these hypervelocity impacts. However, at impact velocities close to 10 km/s the average temperature of the impacting water clusters increase to about 2000K, with individual molecules oocasionally reaching temperatures of over 8000K and thus will be prudent to consider the concept of electron excitation at these higher impact velocities which goes beyond the current ReaxFF ability.

Keywords: spacecraft materials, hypervelocity impact, reactive molecular dynamics simulation, amorphous silica

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Authors: Prima Luna, Afroditi Chatzifragkou, Dimitris Charalampopoulos

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Sorghum byproducts, namely bran, stalk, and panicle are examples of lignocellulosic biomass. These raw materials contain large amounts of polysaccharides, in particular hemicelluloses, celluloses, and lignins, which if efficiently extracted, can be utilised for the development of a range of added value products with potential applications in agriculture and food packaging sectors. The aim of this study was to characterise fractions extracted from sorghum bran and stalk with regards to their physicochemical properties that could determine their applicability as food-packaging materials. A sequential alkaline extraction was applied for the isolation of cellulosic, hemicellulosic and lignin fractions from sorghum stalk and bran. Lignin content, phenolic content and antioxidant capacity were also investigated in the case of the lignin fraction. Thermal analysis using differential scanning calorimetry (DSC) and X-Ray Diffraction (XRD) revealed that the glass transition temperature (T_g) of cellulose fraction of the stalk was ~78.33 ^oC at amorphous state (~65%) and water content of ~5%. In terms of hemicellulose, the T_g value of stalk was slightly lower compared to bran at amorphous state (~54%) and had less water content (~2%). It is evident that hemicelluloses generally showed a lower thermal stability compared to cellulose, probably due to their lack of crystallinity. Additionally, bran had higher arabinose-to-xylose ratio (0.82) than the stalk, a fact that indicated its low crystallinity. Furthermore, lignin fraction had T_g value of ~93 ^oC at amorphous state (~11%). Stalk-derived lignin fraction contained more phenolic compounds (mainly consisting of p-coumaric and ferulic acid) and had higher lignin content and antioxidant capacity compared to bran-derived lignin fraction.

Keywords: alkaline extraction, bran, cellulose, hemicellulose, lignin, stalk

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Authors: S. Tunmee, P. Wongpanya, I. Toda, X. L. Zhou, Y. Nakaya, N. Konkhunthot, S. Arakawa, H. Saitoh

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The hydrogenated amorphous carbon films (a-C:H) were deposited on p-type Si (100) substrates at different thicknesses by radio frequency plasma enhanced chemical vapor deposition technique (rf-PECVD). Raman spectra display asymmetric diamond-like peaks, representative of the a-C:H films. The decrease of intensity ID/IG ratios revealed the sp3 content arise at different thicknesses of the a-C:H films. In terms of mechanical properties, the high hardness and elastic modulus values show the elastic and plastic deformation behaviors related to sp3 content in amorphous carbon films. Electro chemical properties showed that the a-C:H films exhibited excellent corrosion resistance in air-saturated 3.5 wt% NaCl solution for pH 2 at room temperature. Thickness increasing affected the small sp2 clusters in matrix, restricting the velocity transfer and exchange of electrons. The deposited a-C:H films exhibited excellent mechanical properties and corrosion resistance.

Keywords: thickness, mechanical properties, electrochemical corrosion properties, a-C:H film

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Authors: Natia Jalagonia, Tinatin Kuchukhidze

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Polymer electrolytes (PE) play an important part in electrochemical devices such as batteries and fuel cells. To achieve optimal performance, the PE must maintain a high ionic conductivity and mechanical stability at both high and low relative humidity. The polymer electrolyte also needs to have excellent chemical stability for long and robustness. According to the prevailing theory, ionic conduction in polymer electrolytes is facilitated by the large-scale segmental motion of the polymer backbone, and primarily occurs in the amorphous regions of the polymer electrolyte. Crystallinity restricts polymer backbone segmental motion and significantly reduces conductivity. Consequently, polymer electrolytes with high conductivity at room temperature have been sought through polymers which have highly flexible backbones and have largely amorphous morphology. The interest in polymer electrolytes was increased also by potential applications of solid polymer electrolytes in high energy density solid state batteries, gas sensors and electrochromic windows. Conductivity of 10-3 S/cm is commonly regarded as a necessary minimum value for practical applications in batteries. At present, polyethylene oxide (PEO)-based systems are most thoroughly investigated, reaching room temperature conductivities of 10-7 S/cm in some cross-linked salt in polymer systems based on amorphous PEO-polypropylene oxide copolymers.. It is widely accepted that amorphous polymers with low glass transition temperatures Tg and a high segmental mobility are important prerequisites for high ionic conductivities. Another necessary condition for high ionic conductivity is a high salt solubility in the polymer, which is most often achieved by donors such as ether oxygen or imide groups on the main chain or on the side groups of the PE. It is well established also that lithium ion coordination takes place predominantly in the amorphous domain, and that the segmental mobility of the polymer is an important factor in determining the ionic mobility. Great attention was pointed to PEO-based amorphous electrolyte obtained by synthesis of comb-like polymers, by attaching short ethylene oxide unit sequences to an existing amorphous polymer backbone. The aim of presented work is to obtain of solid polymer electrolyte membranes using PMHS as a matrix. For this purpose the hydrosilylation reactions of α,ω-bis(trimethylsiloxy)methyl¬hydrosiloxane with allyl triethylene-glycol mo¬nomethyl ether and vinyltriethoxysilane at 1:28:7 ratio of initial com¬pounds in the presence of Karstedt’s catalyst, platinum hydrochloric acid (0.1 M solution in THF) and platinum on the carbon catalyst in 50% solution of anhydrous toluene have been studied. The synthesized olygomers are vitreous liquid products, which are well soluble in organic solvents with specific viscosity ηsp ≈ 0.05 - 0.06. The synthesized olygomers were analysed with FTIR, 1H, 13C, 29Si NMR spectroscopy. Synthesized polysiloxanes were investigated with wide-angle X-ray, gel-permeation chromatography, and DSC analyses. Via sol-gel processes of doped with lithium trifluoromethylsulfonate (triflate) or lithium bis¬(trifluoromethylsulfonyl)¬imide polymer systems solid polymer electrolyte membranes have been obtained. The dependence of ionic conductivity as a function of temperature and salt concentration was investigated and the activation energies of conductivity for all obtained compounds are calculated

Keywords: synthesis, PMHS, membrane, electrolyte

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Authors: M. Khalid Alamgir, Javed Ahsan Bhatti, M. Zafarullah Khan

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Thin film of amorphous carbon (DLC) was deposited on 316 steel using Nd: YAG laser having energy 300mJ. Pure graphite was used as a target. The vacuum in the deposition chamber was generated in the range of 10-6 mbar by turbo molecular pump. Ratio of sp3 to sp2 content shows amorphous nature of the film. This was confirmed by Raman spectra having two peaks around 1300 cm-1 i.e. D-band to 1700 cm-1 i.e. G-band. If sp3 bonding ratio is high, the films behave like diamond-like whereas, with high sp2, films are graphite-like. The ratio of sp3 and sp2 contents in the film depends upon the deposition method, hydrogen contents and system parameters. The structural study of the film was carried out by XRD. The hardness of the films as measured by Vickers hardness tester and was found to be 28 GPa. The EDX result shows the presence of carbon contents on the surface in high rate and optical microscopy result shows the smoothness of the film on substrate. The film possesses good adhesion and can be used to coat surgical instruments.

Keywords: DLC, thin film, Raman spectroscopy, XRD, EDX

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Authors: Leila Ayat, Afak Meftah

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Amorphous-silicon alloys have great promise as low cost solar cell materials. They have excellent photo-conductivity and high optical absorption to sunlight. Now PIN a-Si:H based solar cells are widely used in power generation modules. However, to improve the performance of these cells further, a better fundamental under-standing of the factors limiting cell performance in the homo junction PIN structure is necessary. In this paper we discuss the sensitivity of light J-V characteristics to various device and material parameters in PIN homo junction solar cells. This work is a numerical simulation of the output parameters of a PIN a-Si:H solar cell under AM1.5 spectrum. These parameters are the short circuit current (Jsc), the open circuit voltage (Voc), the fill factor (FF), the conversion efficiency. The simulation was performed with SCAPS-1D software version 3.3 developed at ELIS in Belgium by Marc Burgelman et al. The obtained results are in agreement with experiment. In addition, the effect of the thickness, doping density, capture cross sections of the gap states and the band microscopic mobilities on the output parameters of the cell are also presented.

Keywords: amorphous silicon p-i-n junctions, thin film, solar cells, sensitivity

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Authors: Damandeep Kaur, O.P. Pandey, M.S. Reddy

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In the present research, bio-synthesisation of silica particles has been carried out successfully. For this purpose, agriculture waste rice husk (RH) has been utilized. Among several types of agriculture waste, RH is considered to be cost-effective and easily accessible. In the present investigation, a chemical approach has been followed to extract silica nanoparticles. X-Ray Diffraction (XRD) patterns indicated the amorphous nature of silica at lower temperature range. Silica and other mineral contents have been found using energy dispersive spectroscopy (EDS). Morphological and structural studies have been carried out with the use of Field Emission Scanning Electron Microscopy (FE-SEM) and Fourier Transform Infrared Transmission (FTIR) spectroscopy. Further, extracted silica from RH has been used for preparation of the glasses. The appearance of broad humps in XRD patterns confirmed the amorphous nature of prepared glasses. These glasses exhibited enhanced antibacterial effect against both Gram-positive and Gram-negative bacteria. The as-synthesized glass samples can be further used for physical and structural studies for drug loading applications.

Keywords: rice husk, biosynthesized silica, bioactive glasses, antibacterial studies

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Authors: Woei-Shyan Lee, Shuo-Ling Chang

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The nanoindentation behaviour and phase transformation of annealed single-crystal silicon wafers are examined. The silicon specimens are annealed at temperatures of 250, 350 and 450ºC, respectively, for 15 minutes and are then indented to maximum loads of 30, 50 and 70 mN. The phase changes induced in the indented specimens are observed using transmission electron microscopy (TEM) and micro-Raman scattering spectroscopy (RSS). For all annealing temperatures, an elbow feature is observed in the unloading curve following indentation to a maximum load of 30 mN. Under higher loads of 50 mN and 70 mN, respectively, the elbow feature is replaced by a pop-out event. The elbow feature reveals a complete amorphous phase transformation within the indented zone, whereas the pop-out event indicates the formation of Si XII and Si III phases. The experimental results show that the formation of these crystalline silicon phases increases with an increasing annealing temperature and indentation load. The hardness and Young’s modulus both decrease as the annealing temperature and indentation load are increased.

Keywords: nanoindentation, silicon, phase transformation, amorphous, annealing

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Authors: M. Michael Gromiha, A. Mary Thangakani, Sandeep Kumar, D. Velmurugan

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The main cause of several neurodegenerative diseases such as Alzhemier, Parkinson, and spongiform encephalopathies is formation of amyloid fibrils and plaques in proteins. We have analyzed different sets of proteins and peptides to understand the influence of sequence-based features on protein aggregation process. The comparison of 373 pairs of homologous mesophilic and thermophilic proteins showed that aggregation-prone regions (APRs) are present in both. But, the thermophilic protein monomers show greater ability to ‘stow away’ the APRs in their hydrophobic cores and protect them from solvent exposure. The comparison of amyloid forming and amorphous b-aggregating hexapeptides suggested distinct preferences for specific residues at the six positions as well as all possible combinations of nine residue pairs. The compositions of residues at different positions and residue pairs have been converted into energy potentials and utilized for distinguishing between amyloid forming and amorphous b-aggregating peptides. Our method could correctly identify the amyloid forming peptides at an accuracy of 95-100% in different datasets of peptides.

Keywords: aggregation, amyloids, thermophilic proteins, amino acid residues, machine learning techniques

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Authors: Sandrine Cardinal, Jean-Marc Pelletier, Guang Xie, Florian Mercier, Florent Delmas

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Bulk metallic glasses exhibit several superior properties, compared to their corresponding crystalline counterpart, such as high strength, high elastic limit or good corrosion resistance. Therefore they can be considered as good candidates for structural applications in many sectors. However, they are generally brittle and do not exhibit plastic deformation at room temperature. These materials are mainly obtained by rapid cooling from a liquid state to prevent crystallization, which limits their size. To overcome these two drawbacks: fragility and limited dimensions, composite metallic glass matrix reinforced by a second phase whose role is to slow crack growth are developed. Concerning the limited size of the pieces, the proposed solution is to get the material from amorphous powders by densifying under load. In this study, Cu50Zr45Al5 bulk metallic glassy matrix composites (MGMCs) containing different volume fraction (Vf) of Zr crystalline particles were manufactured by spark plasma sintering (SPS). Microstructure, thermal stability and mechanical properties of the MGMCs were investigated. Matrix of the composites remains a fully amorphous phase after consolidation at 420°C under 600 MPa. A good dispersion of the particles in the glassy matrix is obtained. Results show that the compressive strength decreases with Vf : 1670 MPa (Vf=0%) to 1300MPa (Vf=30%), the elastic modulus decreases but only slighty respectively 97.3GPa and 94.5 GPa and plasticity is improved from 0 to 4%. Fractographic investigation indicates a good bonding between amorphous and crystalline particles. In conclusion, present study has demonstrated that SPS method is useful for the synthesis of the bulk glassy composites. Large controlled microstructure specimens with interesting ductility can be obtained compared with others methods.

Keywords: composite, mechanical properties, metallic glasses, spark plasma sintering

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Authors: S. Zhuiykov, M. Karbalaei Akbari

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Ultra-low-level incorporation of trace impurities and dopants into two-dimensional (2D) semiconductors is a challenging step towards the development of functional electronic instruments based on 2D materials. Herein, the incorporation of sulphur atoms into 2D Ga2O3 surface oxide film of eutectic gallium-indium alloy (EGaIn) is achieved through plasma-enhanced metal-catalyst dissociation of H2S gas on EGaIn substrate. This process led to the growth of GaS crystalline nanodomains inside amorphous 2D Ga2O3 sublayer films. Consequently, 2D lateral heterophase was developed between the amorphous Ga2O3 and crystalline GaS nanodomains. The materials characterization revealed the alteration of photoluminescence (PL) characteristics and change of valence band maximum (VBM) of functionalized 2D films. The comprehensive studies by conductive atomic force microscopy (c-AFM) showed considerable enhancement of conductivity of 2D Ga2O3/GaS materials (300 times improvement) compared with that of 2D Ga2O3 film. This technique has a great potential for the fabrication of 2D metal oxide devices with tuneable electronic characteristics similar to nano junction memristors and transistors.

Keywords: 2D semiconductors, Ga₂O₃, GaS, plasma-induced functionalization

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Authors: Ana Carolina Kogawa, Selma Gutierrez Antonio, Hérida Regina Nunes Salgado

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Rifaximin is an oral antimicrobial, gut - selective and not systemic with adverse effects compared to placebo. It is used for the treatment of hepatic encephalopathy, travelers diarrhea, irritable bowel syndrome, Clostridium difficile, ulcerative colitis and acute diarrhea. The crystalline form present in the rifaximin with minimal systemic absorption is α, being the amorphous form significantly different. Regulators are increasingly attention to polymorphisms. Polymorphs can change the form by altering the drug characteristics compromising the effectiveness and safety of the finished product. International Conference on Harmonization issued the ICH Guidance Q6A, which aim to improve the control of polymorphism in new and existing pharmaceuticals. The objective of this study was to obtain polymorphic forms of rifaximin employing recrystallization processes and characterize them by thermal analysis (thermogravimetry - TG and differential scanning calorimetry - DSC), X-ray diffraction, scanning electron microscopy and solubility test. Six polymorphic forms of rifaximin, designated I to VI were obtained by the crystallization process by evaporation of the solvent. The profiles of the TG curves obtained from polymorphic forms of rifaximin are similar to rifaximin and each other, however, the DTG are different, indicating different thermal behaviors. Melting temperature values of all the polymorphic forms were greater to that shown by the rifaximin, indicating the higher thermal stability of the obtained forms. The comparison of the diffractograms of the polymorphic forms of rifaximin with rifaximin α, β and γ constant in patent indicate that forms III, V and VI are formed by mixing polymorph β and α and form III is formed by polymorph β. The polymorphic form I is formed by polymorph β, but with a significant amount of amorphous material. Already, the polymorphic form II consists of polymorph γ, amorphous. In scanning electron microscope is possible to observe the heterogeneity of morphological characteristics of crystals of polymorphic forms among themselves and with rifaximin. The solubility of forms I and II was greater than the solubility of rifaximin, already, forms III, IV and V presented lower solubility than of rifaximin. Similarly, the bioavailability of the amorphous form of rifaximin is considered significantly higher than the form α, the polymorphic forms obtained in this work can not guarantee the excellent tolerability of the reference medicine. Therefore, studies like these are extremely important and they point to the need for greater requirements by the regulatory agencies competent about polymorphs analysis of the raw materials used in the manufacture of medicines marketed globally. These analyzes are not required in the majority of official compendia. Partnerships between industries, research centers and universities would be a viable way to consolidate researches in this area and contribute to improving the quality of solid drugs.

Keywords: electronic microscopy, polymorphism, rifaximin, solubility, X-ray diffraction

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Authors: Tobias Bader, Joerg Rickert

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One key factor in achieving net zero emissions along the cement and concrete value chain in Europe by 2050 is the use of distinct constituents to produce improved and advanced cements. These cements will contain e.g. calcined clays, recycled concrete fines that are chemically similar as well as X-ray amorphous and therefore difficult to distinguish. This leads to enhanced requirements on the analytical methods for quality control regarding accuracy as well as reproducibility due to the more complex cement composition. With the methods currently provided for in the European standards, it will be a challenge to ensure reliable analyses of the composition of the cements. In an ongoing research project, infrared (IR) spectroscopy in combination with mathematical tools (chemometrics) is going to be evaluated as an additional analytical method with fast and low preparation effort for the characterization of silicate-based cement constituents. The resulting comprehensive database should facilitate determination of the composition of new cements. First results confirmed the applicability of near-infrared IR for the characterization of traditional silicate-based cement constituents (e.g. clinker, granulated blast furnace slag) and modern X-ray amorphous constituents (e.g. calcined clay, recycled concrete fines) as well as different sulfate species (e.g. gypsum, hemihydrate, anhydrite). A multivariant calibration model based on numerous calibration mixtures is in preparation. The final analytical concept to be developed will form the basis for establishing IR spectroscopy as a rapid analytical method for characterizing material flows of known and unknown inorganic substances according to their material properties online and offline. The underlying project was funded by the Federal Institute for Research on Building, Urban Affairs and Spatial Development on behalf of the Federal Ministry of Housing, Urban Development and Building with funds from the ‘Zukunft Bau’ research programme.

Keywords: cement, infrared spectroscopy, quality control, X-ray amorphous

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Authors: X. L. Zhou, S. Tunmee, I. Toda, K. Komatsu, S. Ohshio, H. Saitoh

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Hydrogenated amorphous carbon (a-C:H) films have been synthesized by a radio frequency plasma enhanced chemical vapor deposition (rf-PECVD) technique with different bias voltage from 0.0 to -0.5 kV. The Raman spectra displayed the polymer-like hydrogenated amorphous carbon (PLCH) film with 0.0 to -0.1 and a-C:H films with -0.2 to -0.5 kV of bias voltages. The surface chemical information of all films were studied by X-ray photo electron spectroscopy (XPS) technique, presented to C-C (sp2 and sp3) and C-O bonds, and relative carbon (C) and oxygen (O) atomics contents. The O contamination had affected on structure and optical properties. The true density of PLCH and a-C:H films were characterized by X-ray refractivity (XRR) method, showed the result as in the range of 1.16-1.73 g/cm3 that depending on an increasing of bias voltage. The hardness was proportional to the true density of films. In addition, the optical properties i.e. refractive index (n) and extinction coefficient (k) of these films were determined by a spectroscopic ellipsometry (SE) method that give formation to in 1.62-2.10 (n) and 0.04-0.15 (k) respectively. These results indicated that the optical properties confirmed the Raman results as presenting the structure changed with applied bias voltage increased.

Keywords: negative bias voltage, a-C:H film, oxygen contamination, optical properties

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Authors: Aliyu Usman, Muhaammed Bello Ibrahim, Yusuf D. Amartey, Jibrin M. Kaura

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This research is aimed at investigating the effect of using amorphous silica ash (ASA) obtained from rice husk as a partial replacement of ordinary Portland cement (OPC) on the mechanical and microstructure properties of cement paste and mortar. ASA was used in partial replacement of ordinary Portland cement in the following percentages 3 percent, 5 percent, 8 percent and 10 percent. These partial replacements were used to produce Cement-ASA paste and Cement-ASA mortar. ASA was found to contain all the major chemical compounds found in cement with the exception of alumina, which are SiO2 (91.5%), CaO (2.84%), Fe2O3 (1.96%), and loss on ignition (LOI) was found to be 9.18%. It also contains other minor oxides found in cement. Consistency of Cement-ASA paste was found to increase with increase in ASA replacement. Likewise, the setting time and soundness of the Cement-ASA paste also increases with increase in ASA replacements. The test on hardened mortar were destructive in nature which include flexural strength test on prismatic beam (40mm x 40mm x 160mm) at 2, 7, 14 and 28 days curing and compressive strength test on the cube size (40mm x 40mm, by using the auxiliary steel platens) at 2,7,14 and 28 days curing. The Cement-ASA mortar flexural and compressive strengths were found to be increasing with curing time and decreases with cement replacement by ASA. It was observed that 5 percent replacement of cement with ASA attained the highest strength for all the curing ages and all the percentage replacements attained the targeted compressive strength of 6N/mm2 for 28 days. There is an increase in the drying shrinkage of Cement-ASA mortar with curing time, it was also observed that the drying shrinkages for all the curing ages were greater than the control specimen all of which were greater than the code recommendation of less than 0.03%. The scanning electron microscope (SEM) was used to study the Cement-ASA mortar microstructure and to also look for hydration product and morphology.

Keywords: amorphous silica ash, cement mortar, cement paste, scanning electron microscope

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Authors: Yogendar Singh, Parasmani Rajput, Pawan Kumar Kulriya

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Understanding the radiation response of the pyrochlore structured ceramics in the nuclear reactor core-like environment is of quite an interest for their utilization as host matrices. Electronic excitation (100 MeV I7+) induced crystalline to amorphous phase transition in Nd2Zr2O7 pyrochlore synthesized through three steps solid-state sintering method was investigated. The x-ray diffraction, along with Raman spectroscopy and x-ray absorption spectroscopy experiments conducted on pristine and irradiated pyrochlore, showed an increase in the rate of amorphization with ion fluence. XRD results indicate that specimen is completely amorphized on irradiation at the highest fluence of 5×1013 ions/cm2. The EXAFS spectra of the K-Zr edge and the Nd LIII edge confirmed a significant change in the chemical environment of Nd upon swift heavy ion irradiation. Observation of a large change in the intensity of K-Zr pre-edge spectra is also a good indicator of the phase transition from pyrochlore to the amorphous phase, which is supported by the FT modulus of the LIII-Nd edge. However, the chemical environment of Zr is less affected by irradiation, but it clearly exhibits an increase in the degree of disorder.

Keywords: nuclear host matrices, swift heavy ion irradiation, x-ray absorption spectroscopy, pyrochlore oxides

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Authors: S. U. Khan, T. Ayub, N. Shafiq

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The properties of locally produced metakaolin (MK) as cement replacing material and the comparison of reactivity with commercially available micro-silica have been investigated. Compressive strength, splitting tensile strength, and load-deflection behaviour under bending are the properties that have been studied. The amorphous phase of MK with micro-silica was compared through X-ray diffraction (XRD) pattern. Further, interfacial transition zone of concrete with micro-silica and MK was observed through Field Emission Scanning Electron Microscopy (FESEM). Three mixes of concrete were prepared. One of the mix is without cement replacement as control mix, and the remaining two mixes are 10% cement replacement with micro-silica and MK. It has been found that MK, due to its irregular structure and amorphous phase, has high reactivity with portlandite in concrete. The compressive strength at early age is higher with MK as compared to micro-silica. MK concrete showed higher splitting tensile strength and higher load carrying capacity as compared to control and micro-silica concrete at all ages respectively.

Keywords: metakaolin, compressive strength, splitting tensile strength, load deflection, interfacial transition zone

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Authors: A. Hamza, H. Kathyayini, N. Nagaraju

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Aluminophosphates, both amorphous and crystalline materials find applications as adsorbents, ceramics, and pigments and as catalysts/catalyst supports in organic fine chemical synthesis. Most of the applications are varied depending on the type of metal incorporated, particle size, surface area, porosity and morphology of aluminophosphate. The porous and surface properties of these materials are normally fine-tuned by adopting various preparation methodologies. Numerous crystalline microporous and mesoporous aluminophosphates and metal-aluminophosphates have been reported in literature, in which the synthesis has been carried out by using structure directing organic molecules/surfactants. In present work, amorphous aluminophosphate (AlP) and metal-aluminophosphates MAlP (M = Cu, Zn, Cr, Fe, Ce and Zr) and their mixed forms M-1M2AlP are prepared under a typical precipitation condition, i.e. at low temperature in order to keep the Von-Weirmann relative super saturation of the precipitating medium and obtain small size precipitate particles. These materials are prepared without using any surfactants. All materials are thoroughly characterised for surface and bulk properties by N2 adsorption-desorption technique, XRD, FT-IR, TG and SEM. The materials are also analysed for the amount and the strength of their surface acid sites, by NH3-TPD and CO2-TPD techniques respectively. All the materials prepared in the work are investigated for their catalytic activity in following applications in the synthesis of industrially important Jasminaldehyde via, aldol condensation of n-heptanal and benzaldehyde, in the synthesis of biologically important chalcones by Claisen-shmidth condensation of benzaldehyde and substituted chalcones. The effect of the amount of the catalysts, duration of the reaction, temperature of the reaction, molar ratio of the reactants has been studied. The porosity of pure aluminophosphate is found to be changed significantly by the incorporation of transition metals during preparation of aluminophosphate. The pore size increased from microporous to mesoporous and finally to macroporous by following order of metals Cu = Zn < Cr < Ce < Fe = Zr. The change in surface area and porosity of double metal-aluminophosphates depended on the concentration of both the metals. The acidity of aluminophosphate is either increased or decreased which depended on the type and valence of metals loaded. A good number of basic sites are created in metal-aluminophosphates irrespective of the metals used. A maximum catalytic activity for synthesis of both jasminaldehyde and chalcone is obtained by FeAlP as catalysts; these materials are characterized by decreased strength and concentration of acidic sites with optimum level basic sites.

Keywords: amorphous metal-aluminophosphates, surface properties, acidic-basic properties, Aldol, Claisen-Shmidth condensation, jasminaldehyde, chalcone

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Authors: Celestine Mbakaan, Iorkyaa Ahemen, A. D. Onoja, A. N. Amah, Emmanuel Barki

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Rice husk (RH) is a natural sheath that forms and covers the grain of rice. The husk composed of hard materials, including opaline silica and lignin. It separates from its grain during rice milling. RH also contains approximately 15 to 28 wt % of silica in hydrated amorphous form. Nanosilica was derived from the husk of different rice varieties after pre-treating the husk (RH) with HCl and calcination at 550°C. Nanosilica derived from the husk of Osi rice variety produced the highest silica yield, and further pretreatment with 0.8 M H₃PO₄ acid removed more mineral impurities. The silica obtained from this rice variety was selected as a host matrix for doping with Sm³⁺ ions. Rice husk silica (RH-SiO₂) doped with samarium (RH-SiO₂: xSm³⁺ (x=0.01, 0.05, and 0.1 molar ratios) nanophosphors were synthesized via the sol-gel method. The structural analysis by X-ray diffraction analysis (XRD) reveals amorphous structure while the surface morphology, as revealed by SEM and TEM, indicates agglomerates of nano-sized spherical particles with an average particle size measuring 21 nm. The nanophosphor has a large surface area measuring 198.0 m²/g, and Fourier transform infrared spectroscopy (FT-IR) shows only a single absorption band which is strong and broad with a valley at 1063 cm⁻¹. Diffuse reflectance spectroscopy (DRS) shows strong absorptions at 319, 345, 362, 375, 401, and 474 nm, which can be exclusively assigned to the 6H5/2→4F11/2, 3H7/2, 4F9/2, 4D5/2, 4K11/2, and 4M15/2 + 4I11/2, transitions of Sm³⁺ respectively. The photoluminescence excitation spectra show that near UV and blue LEDs can effectively be used as excitation sources to produce red-orange and yellow-orange emission from Sm³⁺ ion-doped RH-SiO₂ nanophosphors. The photoluminescence (PL) of the nanophosphors gives three main lines; 568, 605, and 652 nm, which are attributed to the intra-4f shell transitions from the excited level to ground levels, respectively under excitation wavelengths of 365 and 400 nm. The result, as confirmed from the 1931 CIE coordinates diagram, indicates the emission of red-orange light by RH-SiO₂: xSm³⁺ (x=0.01 and 0.1 molar ratios) and yellow-orange light from RH-SiO₂: 0.05 Sm³⁺. Finally, the result shows that RH-SiO₂ doped with samarium (Sm³⁺) ions can be applicable in display applications.

Keywords: luminescence, nanosilica, nanophosphors, Sm³⁺

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Authors: Liping Wu, Durga Bhakta Pokharel, Junhua Dong, Changgang Wang, Lin Zhao, Wei Ke, Nan Chen

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Hazenite conversion coating was deposited on AZ31 Mg alloy in a deaerated phosphate solution containing 0.1 M K₂HPO₄ and 0.1 M Na₂HPO₄ (Na₀.₁K0₀.₁) with pH 9 at −0.8 V. The coating mechanism of hazenite was elucidated by in situ potentiostatic current decay, scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FT-IR), electron probe micro-analyzer (EPMA) and differential scanning calorimetry (DSC). The volume of H₂ evolved during potentiostatic polarization was measured by a gas collection apparatus. The degradation resistance of the hazenite coating was evaluated in simulated body fluid (SBF) at 37℃ by using potentiodynamic polarization (PDP). The results showed that amorphous Mg(OH)₂ was deposited first, followed by the transformation of Mg(OH)₂ to amorphous MgHPO₄, subsequently the conversion of MgHPO₄ to crystallized K-struvite (KMgPO₄·6H₂O), finally the crystallization of crystallized hazenite (NaKMg₂(PO₄)₂·14H₂O). The deposited coating was composed of four layers where the inner layer is comprised of Mg(OH)₂, the middle layer of Mg(OH)₂ and MgHPO₄, the top layer of Mg(OH)₂, MgHPO₄ and K-struvite, the topmost layer of Mg(OH)₂, MgHPO₄, K-struvite and hazenite (NaKMg₂(PO₄)₂·14H₂O). The PD results showed that the hazenite coating decreased the corrosion rate by two orders of magnitude.

Keywords: magnesium alloy, potentiostatic technique, hazenite, mineral conversion coating

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Authors: S. Palaniyappan, P. K. Chennam, M. Trautmann, H. Ahmad, T. Mehner, T. Lampke, G. Wagner

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In structural-health monitoring of fiber reinforced plastics (FRPs), every single inorganic fiber sensor that are integrated into the bulk material requires an electrical insulation around itself, when the surrounding reinforcing fibers are electrically conductive. This results in a more accurate data acquisition only from the sensor fiber without any electrical interventions. For this purpose, thin nano-films of aluminium oxide (Al₂O₃)-based electrical-insulation coatings have been fabricated around the Silicon Carbide (SiC) single fiber sensors through reactive DC magnetron sputtering technique. The sputtered coatings were amorphous in nature and the thickness of the coatings increased with an increase in the sputter time. Microstructural characterization of the coated fibers performed using scanning electron microscopy (SEM) confirmed a homogeneous circumferential coating with no detectable defects or cracks on the surface. X-ray diffraction (XRD) analyses of the as-sputtered and 2 hours annealed coatings (825 & 1125 ˚C) revealed the amorphous and crystalline phases of Al₂O₃ respectively. Raman spectroscopic analyses produced no characteristic bands of Al₂O₃, as the thickness of the films was in the nanometer (nm) range, which is too small to overcome the actual penetration depth of the laser used. In addition, the influence of the insulation coatings on the mechanical properties of the SiC sensor fibers has been analyzed.

Keywords: Al₂O₃ thin film, electrical insulation coating, PVD process, SiC fibre, single fibre tensile test

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Authors: R. Saint-Loup, H. Amedro, N. Jacquel, S. Legrand, F. Fenouillot, J. P. Pascault, A. Rousseau

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Isosorbide or 1,4-3,6 dianhydrohexitol has been developped for several years as a new biobased monomer. It is commercially available as a starch derivative, more precisely obtained derivated from starch and more precisely from sorbitol. Isosorbide can find several applications, directly as a monomer or after chemical modification, in different polymer fields like thermoplastics (obtained from polycondensation or from radical polymerization of unsaturated monomers) or like Thermosetting resins (like cross linked PU, or after modification like acrylates or epoxy coatings) Concerning aliphatic or semi-aromatic polyesters, the addition of isosorbide improves thermal stability an,d optical properties, allowing a large range of applications as semi-crystalline or amorphous polymers. The preparation of poly (ethylene-co-isosorbide) terephthalate with different ratios of isosorbide will be particularly detailed. The structure – properties relationship will permit a focus on the obtention of polyesters with semi-crystalline or amorphous structures. The influence of isosorbide on the polymerization, on the processing of the resulting polyester as well as the modification of the final properties will be enlightened. The properties of Poly (ethylene-co-isosorbide) terephthlate will be emphasized and related to their applications. The evolutions related to Isosorbide with the replacement of ethylene glycol by Cyclohexanedimethanol allowed to drastically change the properties of the resulting polyester, with a large gap on the properties and new potential applications.

Keywords: modified PET, poly(ethylene-co-isosorbide)terephthalate, specialy polyester, poly(isosorbide_co_cyclohexanediol)terephthalate

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Authors: Baobao Chang, Konrad Schneider, Vogel Roland, Gert Heinrich

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In this work, the influence of annealing on the mechanical αc-relaxation behavior of isotactic polypropylene (iPP) was investigated. The results suggest that the mechanical αc-relaxation behavior depends strongly on the confinement force on the polymer chains in the intermediate phase and the thickness of the intermediate phase. After quenching at 10°C, abundant crystallites with a wide size distribution are formed. The polymer chains in the intermediate phase are constrained by the crystallites, giving rise to one broad αc-relaxation peak. With an annealing temperature between 60°C~105°C, imperfect lamellae melting releases part of the constraint force, which reduces the conformational ordering of the polymer chains neighboring the amorphous phase. Consequently, two separate αc-relaxation peaks could be observed which are labeled as αc1-relaxation and αc2-relaxation. αc1-relaxation and αc2-relaxation describe the relaxation behavior of polymer chains in the region close to the amorphous phase and the crystalline phase, respectively. Both relaxation peaks shift to a higher temperature as annealing temperature increases. With an annealing temperature higher than 105°C, the new crystalline phase is formed in the intermediate phase, which enhances the constraint force on the polymer chains. αc1-relaxation peak is broadened obviously and its position shifts to a higher temperature as annealing temperature increases. Moreover, αc2-relaxation is undetectable because that the polymer chains in the region between the initial crystalline phase and the newly formed crystalline phase are strongly confined.

Keywords: annealing, αc-relaxation, isotactic-polypropylene, intermediate phase

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Authors: Diptoshi Roy, G. Sreevidya Varma, S. Asokan, Chandasree Das

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Germanium Telluride based quaternary thin film switching devices with composition Ge₁₅In₅Te₅₆Ag_24, have been deposited in sandwich geometry on glass substrate with aluminum as top and bottom electrodes. The bulk glassy form of the said composition is prepared by melt quenching technique. In this technique, appropriate quantity of elements with high purity are taken in a quartz ampoule and sealed under a vacuum of 10^-5 mbar. Then, it is allowed to rotate in a horizontal rotary furnace for 36 hours to ensure homogeneity of the melt. After that, the ampoule is quenched into a mixture of ice - water and NaOH to get the bulk ingot of the sample. The sample is then coated on a glass substrate using flash evaporation technique at a vacuum level of 10^-6 mbar. The XRD report reveals the amorphous nature of the thin film sample and Energy - Dispersive X-ray Analysis (EDAX) confirms that the film retains the same chemical composition as that of the base sample. Electrical switching behavior of the device is studied with the help of Keithley (2410^c) source-measure unit interfaced with Lab VIEW 7 (National Instruments). Switching studies, mainly SET (changing the state of the material from amorphous to crystalline) operation is conducted on the thin film form of the sample. This device is found to manifest memory switching as the device remains 'ON' even after the removal of the electric field. Also it is found that amorphous Ge₁₅In₅Te₅₆Ag₂₄ thin film unveils clean memory type of electrical switching behavior which can be justified by the absence of fluctuation in the I-V characteristics. The I-V characteristic also reveals that the switching is faster in this sample as no data points could be seen in the negative resistance region during the transition to on state and this leads to the conclusion of fast phase change during SET process. Scanning Electron Microscopy (SEM) studies are performed on the chosen sample to study the structural changes at the time of switching. SEM studies on the switched Ge₁₅In₅Te₅₆Ag₂₄ sample has shown some morphological changes at the place of switching wherein it can be explained that a conducting crystalline channel is formed in the device when the device switches from high resistance to low resistance state. From these studies it can be concluded that the material may find its application in fast switching Non-Volatile Phase Change Memory (PCM) Devices.

Keywords: Chalcogenides, Vapor deposition, Electrical switching, PCM.

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Authors: Wei-Shan Wang, Klaus Vogel, Felix Gabler, Maik Wiemer, Thomas Gessner

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Metallic glasses, which are free of grain boundaries, have superior properties including large elastic limits, high strength, and excellent wear and corrosion resistance. Therefore, bulk metallic glasses (BMG) and thin film metallic glasses (TFMG) have been widely developed and investigated. Among various kinds of metallic glasses, Pd-Cu-Si TFMG, which has lower elastic modulus and better resistance of oxidation and corrosions compared to Zr- and Fe-based TFMGs, can be a promising candidate for MEMS applications. However, the study of Pd-TFMG membrane is still limited. This paper presents free-standing Pd-based metallic glass membranes with large area fabricated on wafer level for the first time. Properties of Pd-Cu-Si thin film metallic glass (TFMG) with various deposition parameters are investigated first. When deposited at 25°C, compressive stress occurs in the Pd76Cu6Si18 thin film regardless of Ar pressure. When substrate temperature is increased to 275°C, the stress state changes from compressive to tensile. Thin film stresses are slightly decreased when Ar pressure is higher. To show the influence of temperature on Pd-TFMGs, thin films without and with post annealing below (275°C) and within (370°C) supercooled liquid region are investigated. Results of XRD and TEM analysis indicate that Pd-TFMGs remain amorphous structure with well-controlled parameters. After verification of amorphous structure of the Pd-TFMGs, free-standing Pd-Cu-Si membranes were fabricated by depositing Pd-Cu-Si thin films directly on 200nm-thick silicon nitride membranes, followed by post annealing and dry etching of silicon nitride layer. Post annealing before SiNx removal is used to further release internal stress of Pd-TFMGs. The edge length of the square membrane ranges from 5 to 8mm. The effect of post annealing on Pd-Cu-Si membranes are discussed as well. With annealing at 370°C for 5 min, Pd-MG membranes are fully distortion-free after removal of SiNx layer. Results show that, by introducing annealing process, the stress-relief, distortion-free Pd-TFMG membranes with large area can be a promising candidate for sensing applications such as pressure and gas sensors.

Keywords: amorphous alloy, annealing, metallic glasses, TFMG membrane

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Authors: Babak Azari, Afshin Pourahmad, Babak Sadeghi, Masuod Mokhtari

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In this work, Equisetnm arvense plant extract was used for preparing amorphous SiO₂. For preparing of SiO₂/zeolitic imidazolate framework-8 (ZIF-8) nanocomposite by solvothermal method, the synthesized SiO₂ was added to the synthesis mixture ZIF-8. The nanocomposite was characterized using a range of techniques. The photocatalytic activity of SiO₂/ZIF-8 was investigated systematically by degrading crystal violet as a cationic dye under Ultraviolet light irradiation. Among synthesized samples (SiO₂, ZIF-8 and SiO₂/ZIF-8), the SiO₂/ZIF-8 exhibited the highest photocatalytic activity and improved stability compared to pure SiO₂ and ZIF-8. As evidenced by Scanning Electron Microscopy and Transmission electron microscopy images, ZIF-8 particles without aggregation are located over SiO₂. The SiO₂ not only provides structured support for ZIF-8 but also prevents the aggregation of ZIF-8 Metal-organic framework in comparison to the isolated ZIF-8. The superior activity of this photocatalyst was attributed to the synergistic effects from SiO₂ owing to (I) an electron acceptor (from ZIF-8) and an electron donor (to O₂ molecules), (II) preventing recombination of electron-hole in ZIF-8, and (III) maximum interfacial contact ZIF-8 with the SiO₂ surface without aggregation or prevent the accumulation of ZIF-8. The results demonstrate that holes (h+) and •O₂- are primary reactive species involved in the photocatalytic oxidation process. Moreover, the SiO₂/ZIF-8 photocatalyst did not show any obvious loss of photocatalytic activity during five-cycle tests, which indicates that the heterostructured photocatalyst was highly stable and could be used repeatedly.

Keywords: nano, zeolit, potocatalist, nanocomposite

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Authors: Jonathan Galvan-Colin, Ariel Valladares, Renela Valladares, Alexander Valladares

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Both porous materials and bulk metallic glasses have been studied due to their potential applications and their exceptional physical and chemical properties. However, each material presents certain drawbacks which have been thought to be overcome by generating bulk metallic glass foams (BMGF). Although some experimental reports have been performed on multicomponent BMGF, still no ab initio works have been published, as far as we know. We present an approach based on the expanding lattice (EL) method to generate binary amorphous nanoporous Cu64Zr36. Starting from two different configurations: a 108-atom crystalline cubic supercell (cCu64Zr36) and a 108-atom amorphous supercell (aCu64Zr36), both with an initial density of 8.06 g/cm3, we applied EL method to halve the density and to get 50% of porosity. After the lattice expansion the supercells were subject to ab initio molecular dynamics for 500 steps at constant room temperature. Then, the samples were geometry-optimized and characterized with the pair and radial distribution functions, bond-angle distributions and a coordination number analysis. We found that pores appeared along specific spatial directions different from one to another and that they differed in size and form as well, which we think is related to the initial structure. Due to the lack of experimental counterparts our results should be considered predictive and further studies are needed in order to handle a larger number of atoms and its implication on pore topology.

Keywords: ab initio molecular dynamics, bulk mettalic glass, porous alloy

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