Using Molecular Dynamics to Assess Mechanical Properties of PAN-Based Carbon Fibers Comprising Imperfect Crystals with Amorphous Structures

We constructed an atomic structure model for a PAN-based carbon fiber containing amorphous structures using molecular dynamics methods. It was found that basic physical properties such as crystallinity, Young’s modulus, and thermal conductivity of our model were nearly identical to those of real carbon fibers. We then obtained the tensile strength of a carbon fiber, which has no macro defects. We finally determined that the limitation of the tensile strength was 19 GPa.

CMOS-Compatible Deposited Materials for Photonic Layers Integrated above Electronic Integrated Circuit

Silicon photonics has generated an increasing interest in recent years mainly for optical communications optical interconnects in microelectronic circuits or bio-sensing applications. The development of elementary passive and active components (including detectors and modulators), which are mainly fabricated on the silicon on insulator platform for CMOS-compatible fabrication, has reached such a performance level that the integration challenge of silicon photonics with microelectronic circuits should be addressed. Since crystalline silicon can only be grown from another silicon crystal, making it impossible to deposit in this state, the optical devices are typically limited to a single layer. An alternative approach is to integrate a photonic layer above the CMOS chip using back-end CMOS fabrication process. In this paper, various materials, including silicon nitride, amorphous silicon, and polycrystalline silicon, for this purpose are addressed.

Effect of Cooling Rate on base Metals Recovery from Copper Matte Smelting Slags

Slag sample from copper smelting operation in a water jacket furnace from DRC plant was used. The study intends to determine the effect of cooling in the extraction of base metals. The cooling methods investigated were water quenching, air cooling and furnace cooling. The latter cooling ways were compared to the original as received slag. It was observed that, the cooling rate of the slag affected the leaching of base metals as it changed the phase distribution in the slag and the base metals distribution within the phases. It was also found that fast cooling of slag prevented crystallization and produced an amorphous phase that encloses the base metals. The amorphous slags from the slag dumps were more leachable in acidic medium (HNO3) which leached 46%Cu, 95% Co, 85% Zn, 92% Pb and 79% Fe with no selectivity at pH0, than in basic medium (NH4OH). The leachability was vice versa for the modified slags by quenching in water which leached 89%Cu with a high selectivity as metal extractions are less than 1% for Co, Zn, Pb and Fe at ambient temperature and pH12. For the crystallized slags, leaching of base metals increased with the increase of temperature from ambient temperature to 60°C and decreased at the higher temperature of 80°C due to the evaporation of the ammonia solution used for basic leaching, the total amounts of base metals that were leached in slow cooled slags were very low compared to the quenched slag samples.

Esterification of Free Fatty Acids in Crude Palm Oil with Sulfated Zirconia: Effect of Calcination Temperature

The production of biodiesel from crude palm oil with a homogeneous base catalyst is unlikely owing to considerable formation of soap. Free fatty acids (FFA) in crude palm oil need to be reduced, e.g. by esterification. This study investigated the activity of sulfated zirconia calcined at various temperatures for esterification of FFA in crude palm oil to biodiesel. It was found that under a proper reaction condition, sulfated zirconia well catalyzes esterification. FFA content can be reduced to an acceptable value for typical biodiesel production with a homogeneous base catalyst. Crystallinity and sulfate attachment of sulfated zirconia depend on calcination temperature during the catalyst preparation. Too low temperature of calcination gives amorphous sulfated zirconia which has low activity for esterification of FFA. In contrast, very high temperature of calcination removes sulfate group, consequently, conversion of FFA is reduced. The appropriate temperature range of calcination is 550-650 oC.

Modeling and Investigation of Volume Strain at Large Deformation under Uniaxial Cyclic Loading in Semi Crystalline Polymer

This study deals with the experimental investigation and theoretical modeling of Semi crystalline polymeric materials with a rubbery amorphous phase (HDPE) subjected to a uniaxial cyclic tests with various maximum strain levels, even at large deformation. Each cycle is loaded in tension up to certain maximum strain and then unloaded down to zero stress with N number of cycles. This work is focuses on the measure of the volume strain due to the phenomena of damage during this kind of tests. On the basis of thermodynamics of relaxation processes, a constitutive model for large strain deformation has been developed, taking into account the damage effect, to predict the complex elasto-viscoelastic-viscoplastic behavior of material. A direct comparison between the model predictions and the experimental data show that the model accurately captures the material response. The model is also capable of predicting the influence damage causing volume variation.

Effect of CW Laser Annealing on Silicon Surface for Application of Power Device

As application of re-activation of backside on power device Insulated Gate Bipolar Transistor (IGBT), laser annealing was employed to irradiate amorphous silicon substrate, and resistivities were measured using four point probe measurement. For annealing the amorphous silicon two lasers were used at wavelength of visible green (532 nm) together with Infrared (793 nm). While the green laser efficiently increased temperature at top surface the Infrared laser reached more deep inside and was effective for melting the top surface. A finite element method was employed to evaluate time dependent thermal distribution in silicon substrate.

Removal of Elemental Mercury from Dry Methane Gas with Manganese Oxides

In this study, we sought to investigate the mercury removal efficiency of manganese oxides from natural gas. The fundamental studies on mercury removal with manganese oxides sorbents were carried out in a laboratory scale fixed bed reactor at 30 °C with a mixture of methane (20%) and nitrogen gas laden with 4.8 ppb of elemental mercury. Manganese oxides with varying surface area and crystalline phase were prepared by conventional precipitation method in this study. The effects of surface area, crystallinity and other metal oxides on mercury removal efficiency were investigated. Effect of Ag impregnation on mercury removal efficiency was also investigated. Ag supported on metal oxide such titania and zirconia as reference materials were also used in this study for comparison. The characteristics of mercury removal reaction with manganese oxide was investigated using a temperature programmed desorption (TPD) technique. Manganese oxides showed very high Hg removal activity (about 73-93% Hg removal) for first time use. Surface area of the manganese oxide samples decreased after heat-treatment and resulted in complete loss of Hg removal ability for repeated use after Hg desorption in the case of amorphous MnO2, and 75% loss of the initial Hg removal activity for the crystalline MnO2. Mercury desorption efficiency of crystalline MnO2 was very low (37%) for first time use and high (98%) after second time use. Residual potassium content in MnO2 may have some effect on the thermal stability of the adsorbed Hg species. Desorption of Hg from manganese oxides occurs at much higher temperatures (with a peak at 400 °C) than Ag/TiO2 or Ag/ZrO2. Mercury may be captured on manganese oxides in the form of mercury manganese oxide.

Application of Magnetic Circuit and Multiple-Coils Array in Induction Heating for Improving Localized Hyperthermia

Aiming the application of localized hyperthermia, a magnetic induction system with new approaches is proposed. The techniques in this system for improving the effectiveness of localized hyperthermia are that using magnetic circuit and the multiple-coil array instead of a giant coil for generating magnetic field. Specially, amorphous metal is adopted as the material of magnetic circuit. Detail design parameters of hardware are well described. Simulation tool is employed for this work and experiment result is reported as well.

Effect of Uneven Surface on Magnetic Properties of Fe-based Amorphous Power Transformer

This study reports the preparation of soft magnetic ribbons of Fe-based amorphous alloys using the single-roller melt-spinning technique. Ribbon width varied from 142 mm to 213 mm and, with a thickness of approximately 22 μm ± 2 μm. The microstructure and magnetic properties of the ribbons were characterized by differential scanning calorimeter (DSC), X-ray diffraction (XRD), vibrating sample magnetometer (VSM), and electrical resistivity measurements (ERM). The amorphous material properties dependence of the cooling rate and nozzle pressure have uneven surface in ribbon thicknesses are investigated. Magnetic measurement results indicate that some region of the ribbon exhibits good magnetic properties, higher saturation induction and lower coercivity. However, due to the uneven surface of 213 mm wide ribbon, the magnetic responses are not uniformly distributed. To understand the transformer magnetic performances, this study analyzes the measurements of a three-phase 2 MVA amorphous-cored transformer. Experimental results confirm that the transformer with a ribbon width of 142 mm has better magnetic properties in terms of lower core loss, exciting power, and audible noise.

Influence of Thermo-fluid-dynamic Parameters on Fluidics in an Expanding Thermal Plasma Deposition Chamber

Technology of thin film deposition is of interest in many engineering fields, from electronic manufacturing to corrosion protective coating. A typical deposition process, like that developed at the University of Eindhoven, considers the deposition of a thin, amorphous film of C:H or of Si:H on the substrate, using the Expanding Thermal arc Plasma technique. In this paper a computing procedure is proposed to simulate the flow field in a deposition chamber similar to that at the University of Eindhoven and a sensitivity analysis is carried out in terms of: precursor mass flow rate, electrical power, supplied to the torch and fluid-dynamic characteristics of the plasma jet, using different nozzles. To this purpose a deposition chamber similar in shape, dimensions and operating parameters to the above mentioned chamber is considered. Furthermore, a method is proposed for a very preliminary evaluation of the film thickness distribution on the substrate. The computing procedure relies on two codes working in tandem; the output from the first code is the input to the second one. The first code simulates the flow field in the torch, where Argon is ionized according to the Saha-s equation, and in the nozzle. The second code simulates the flow field in the chamber. Due to high rarefaction level, this is a (commercial) Direct Simulation Monte Carlo code. Gas is a mixture of 21 chemical species and 24 chemical reactions from Argon plasma and Acetylene are implemented in both codes. The effects of the above mentioned operating parameters are evaluated and discussed by 2-D maps and profiles of some important thermo-fluid-dynamic parameters, as per Mach number, velocity and temperature. Intensity, position and extension of the shock wave are evaluated and the influence of the above mentioned test conditions on the film thickness and uniformity of distribution are also evaluated.

Modelling the Sublimation-Desublimation Processes for Production of Ultrafine Powders

The purpose of this work is to establish the theoretical foundations for calculating and designing the sublimationcondensation processes in chemical apparatuses which are intended for production of ultrafine powders of crystalline and amorphous materials with controlled fractional composition. Theoretic analysis of the primary processes of nucleation and growth kinetics of the clusters according to the degree of super-saturation and the homogeneous or heterogeneous nature of nucleation has been carried out. The engineering design procedures of desublimation processes have been offered and tested for modification of the Claus process.

Ovshinsky Effect by Quantum Mechanics

Ovshinsky initiated scientific research in the field of amorphous and disordered materials that continues to this day. The Ovshinsky Effect where the resistance of thin GST films is significantly reduced upon the application of low voltage is of fundamental importance in phase-change - random access memory (PC-RAM) devices.GST stands for GdSbTe chalcogenide type glasses.However, the Ovshinsky Effect is not without controversy. Ovshinsky thought the resistance of GST films is reduced by the redistribution of charge carriers; whereas, others at that time including many PC-RAM researchers today argue that the GST resistance changes because the GST amorphous state is transformed to the crystalline state by melting, the heat supplied by external heaters. In this controversy, quantum mechanics (QM) asserts the heat capacity of GST films vanishes, and therefore melting cannot occur as the heat supplied cannot be conserved by an increase in GST film temperature.By precluding melting, QM re-opens the controversy between the melting and charge carrier mechanisms. Supporting analysis is presented to show that instead of increasing GST film temperature, conservation proceeds by the QED induced creation of photons within the GST film, the QED photons confined by TIR. QED stands for quantum electrodynamics and TIR for total internal reflection. The TIR confinement of QED photons is enhanced by the fact the absorbedheat energy absorbed in the GST film is concentrated in the TIR mode because of their high surface to volume ratio. The QED photons having Planck energy beyond the ultraviolet produce excitons by the photoelectric effect, the electrons and holes of which reduce the GST film resistance.

Physical and Electrical Characterization of ZnO Thin Films Prepared by Sol-Gel Method

In this paper, Zinc Oxide (ZnO) thin films are deposited on glass substrate by sol-gel method. The ZnO thin films with well defined orientation were acquired by spin coating of zinc acetate dehydrate monoethanolamine (MEA), de-ionized water and isopropanol alcohol. These films were pre-heated at 275°C for 10 min and then annealed at 350°C, 450°C and 550°C for 80 min. The effect of annealing temperature and different thickness on structure and surface morphology of the thin films were verified by Atomic Force Microscopy (AFM). It was found that there was a significant effect of annealing temperature on the structural parameters of the films such as roughness exponent, fractal dimension and interface width. Thin films also were characterizied by X-ray Diffractometery (XRD) method. XRD analysis revealed that the annealed ZnO thin films consist of single phase ZnO with wurtzite structure and show the c-axis grain orientation. Increasing annealing temperature increased the crystallite size and the c-axis orientation of the film after 450°C. Also In this study, ZnO thin films in different thickness have been prepared by sol-gel method on the glass substrate at room temperature. The thicknesses of films are 100, 150 and 250 nm. Using fractal analysis, morphological characteristics of surface films thickness in amorphous state were investigated. The results show that with increasing thickness, surface roughness (RMS) and lateral correlation length (ξ) are decreased. Also, the roughness exponent (α) and growth exponent (β) were determined to be 0.74±0.02 and 0.11±0.02, respectively.

Enhanced Quality of Zeolite LSX: Studying Effect of Crystallized Containers

Low silica type X (LSX) Zeolite is one of useful material in many manufacturing due to the advantage properties including high surface area, stability, microporous crystalline aluminosilicates and positive ion in an extra–framework. The LSX was used rice husk silica source which obtained by leaching with hydrochloric acid and calcination at 500C. To improve the synthesis method, the LSX was crystallizated in Teflon–lined autoclave will expedite deceasing of the amorphous particles. The mixed gel with composition of 5.5 Na2O : 1.65 K2O : Al2O3 : 2.2 SiO2 : 122 H2O was crystallized in different container (Polypropylene bottom and Teflon–lined autoclave). The obtained powder was characterized by X–ray diffraction (XRD), X–ray fluorescence spectrometry, N2 adsorption-desorption analysis BET surface area Scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy to justify the quality of zeolite. The results showed the crystallized zeolite in Teflon lined autoclave has 102.8 nm of crystal size, 286 m2/g of surface area and fewer amounts of round amorphous particles when compared with the crystallized zeolite in Polypropylene.

Functionalization of Carbon Nanotubes Using Nitric Acid Oxidation and DBD Plasma

In this study, multiwall carbon nanotubes (MWNTs) were modified with nitric acid chemically and by dielectric barrier discharge (DBD) plasma in an oxygen-based atmosphere. Used carbon nanotubes (CNTs) were prepared by chemical vapour deposition (CVD) floating catalyst method. For removing amorphous carbon and metal catalyst, MWNTs were exposed to dry air and washed with hydrochloric acid. Heating purified CNTs under helium atmosphere caused elimination of acidic functional groups. Fourier transformed infrared spectroscopy (FTIR) shows formation of oxygen containing groups such as C=O and COOH. Brunauer, Emmett, Teller (BET) analysis revealed that functionalization causes generation of defects on the sidewalls and opening of the ends of CNTs. Results of temperature-programmed desorption (TPD) and gas chromatography(GC) indicate that nitric acid treatment create more acidic groups than plasma treatment.

Structural Characteristics of Batch Processed Agro-Waste Fibres

The characterisation of agro-wastes fibres for composite applications from Nigeria using X-ray diffraction (XRD) and Scanning Electron Microscopy (SEM) has been done. Fibres extracted from groundnut shell, coconut husk, rice husk, palm fruit bunch and palm fruit stalk are processed using two novel cellulose fibre production methods developed by the authors. Cellulose apparent crystallinity calculated using the deconvolution of the diffractometer trace shows that the amorphous portion of cellulose was permeable to hydrolysis yielding high crystallinity after treatment. All diffratograms show typical cellulose structure with well-defined 110, 200 and 040 peaks. Palm fruit fibres had the highest 200 crystalline cellulose peaks compared to others and it is an indication of rich cellulose content. Surface examination of the resulting fibres using SEM indicates the presence of regular cellulose network structure with some agglomerated laminated layer of thin leaves of cellulose microfibrils. The surfaces were relatively smooth indicating the removal of hemicellulose, lignin and pectin.

Thermal and Electrical Properties of Carbon Nanotubes Purified by Acid Digestion

Carbon nanotubes (CNTs) possess unique structural, mechanical, thermal and electronic properties, and have been proposed to be used for applications in many fields. However, to reach the full potential of the CNTs, many problems still need to be solved, including the development of an easy and effective purification procedure, since synthesized CNTs contain impurities, such as amorphous carbon, carbon nanoparticles and metal particles. Different purification methods yield different CNT characteristics and may be suitable for the production of different types of CNTs. In this study, the effect of different purification chemicals on carbon nanotube quality was investigated. CNTs were firstly synthesized by chemical vapor deposition (CVD) of acetylene (C2H2) on a magnesium oxide (MgO) powder impregnated with an iron nitrate (Fe(NO3)3·9H2O) solution. The synthesis parameters were selected as: the synthesis temperature of 800°C, the iron content in the precursor of 5% and the synthesis time of 30 min. The liquid phase oxidation method was applied for the purification of the synthesized CNT materials. Three different acid chemicals (HNO3, H2SO4, and HCl) were used in the removal of the metal catalysts from the synthesized CNT material to investigate the possible effects of each acid solution to the purification step. Purification experiments were carried out at two different temperatures (75 and 120 °C), two different acid concentrations (3 and 6 M) and for three different time intervals (6, 8 and 15 h). A 30% H2O2 : 3M HCl (1:1 v%) solution was also used in the purification step to remove both the metal catalysts and the amorphous carbon. The purifications using this solution were performed at the temperature of 75°C for 8 hours. Purification efficiencies at different conditions were evaluated by thermogravimetric analysis. Thermal and electrical properties of CNTs were also determined. It was found that the obtained electrical conductivity values for the carbon nanotubes were typical for organic semiconductor materials and thermal stabilities were changed depending on the purification chemicals.

Influence of Taguchi Selected Parameters on Properties of CuO-ZrO2 Nanoparticles Produced via Sol-gel Method

The present paper discusses the selection of process parameters for obtaining optimal nanocrystallites size in the CuOZrO2 catalyst. There are some parameters changing the inorganic structure which have an influence on the role of hydrolysis and condensation reaction. A statistical design test method is implemented in order to optimize the experimental conditions of CuO-ZrO2 nanoparticles preparation. This method is applied for the experiments and L16 orthogonal array standard. The crystallites size is considered as an index. This index will be used for the analysis in the condition where the parameters vary. The effect of pH, H2O/ precursor molar ratio (R), time and temperature of calcination, chelating agent and alcohol volume are particularity investigated among all other parameters. In accordance with the results of Taguchi, it is found that temperature has the greatest impact on the particle size. The pH and H2O/ precursor molar ratio have low influences as compared with temperature. The alcohol volume as well as the time has almost no effect as compared with all other parameters. Temperature also has an influence on the morphology and amorphous structure of zirconia. The optimal conditions are determined by using Taguchi method. The nanocatalyst is studied by DTA-TG, XRD, EDS, SEM and TEM. The results of this research indicate that it is possible to vary the structure, morphology and properties of the sol-gel by controlling the above-mentioned parameters.

Increased Solubility, Dissolution and Physicochemical Studies of Curcumin- Polyvinylpyrrolidone K-30 Solid Dispersions

Solid dispersions (SD) of curcuminpolyvinylpyrrolidone in the ratio of 1:2, 1:4, 1:5, 1:6, and 1:8 were prepared in an attempt to increase the solubility and dissolution. Solubility, dissolution, powder X-ray diffraction (XRD), differential scanning calorimetry (DSC) and Fourier transform infrared spectroscopy (FTIR) of solid dispersions, physical mixtures (PM) and curcumin were evaluated. Both solubility and dissolution of curcumin solid dispersions were significantly greater than those observed for physical mixtures and intact curcumin. The powder X-ray diffractograms indicated that the amorphous curcumin was obtained from all solid dispersions. It was found that the optimum weight ratio for curcumin:PVP K-30 is 1:6. The 1:6 solid dispersion still in the amorphous from after storage at ambient temperature for 2 years and the dissolution profile did not significantly different from freshly prepared.

Selective Wet-Etching of Amorphous/Crystallized Sb20se80 Thin Films

The selective wet-etching of amorphous and crystalline region of Sb20Se80 thin films was carried out using organic based solution e.g. amines. We report the development of an in situ real-time method to study the wet chemical etching process of thin films. Characterization of the structure and surface of films studied by X-ray diffraction, SEM and EBSD methods has been done and potential application suggested.