Search results for: spin

Authors: Nelson Nenuwe

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The behavior of interacting electrons in one dimension was studied by calculating correlation functions and critical exponents at zero and external magnetic fields for arbitrary band filling. The technique employed in this study is based on the conformal field theory (CFT). The charge and spin degrees of freedom are separated, and described by two independent conformal theories. A detailed comparison of the t-J model with the repulsive Hubbard model was then undertaken with emphasis on their Tomonaga-Luttinger (TL) liquid properties. Near half-filling the exponents of the t-J model take the values of the strong-correlation limit of the Hubbard model, and in the low-density limit the exponents are those of a non-interacting system. The critical exponents obtained in this study belong to the repulsive TL liquid (conducting phase) and attractive TL liquid (superconducting phase). The theoretical results from this study find applications in one-dimensional organic conductors (TTF-TCNQ), organic superconductors (Bechgaard salts) and carbon nanotubes (SWCNTs, DWCNTs and MWCNTs). For instance, the critical exponent at from this study is consistent with the experimental result from optical and photoemission evidence of TL liquid in one-dimensional metallic Bechgaard salt- (TMTSF)2PF6.

Keywords: critical exponents, conformal field theory, Hubbard model, t-J model

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Authors: Aysegul Sarac

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Washer-dryers are the machines which can either wash the laundries or can dry them. In other words, we can define a washer-dryer as a washing machine and a dryer in one machine. Washing machines are characterized by the loading capacity, cabinet depth and spin speed. Dryers are characterized by the drying technology. On the other hand, energy efficiency, water consumption, and noise levels are main characteristics that influence customer decisions to buy washers. Water condensation technology is the most common drying technology existing in the washer-dryer market. Water condensation technology uses water to dry the laundry inside the machine. Thus, in this type of the drying technology water consumption is at high levels comparing other technologies. Water condensation technology sprays cold water in the drum to condense the humidity of hot weather in order to dry the laundry inside. Thus, water consumption influences the drying performance. The scope of this study is to optimize water consumption during drying process under a constraint of energy consumption and drying performance. We are using 6-Sigma methodology to find the optimum water consumption by comparing drying performances of different drying algorithms.

Keywords: optimization, 6-Sigma methodology, washer-dryers, water condensation technology

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Authors: Khawlh A. Alzubaidi, Khadijah B. Alziyadi, Amor M. Alsayari

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The discovery of a dilute magnetic semiconductor (DMS) in which ferromagnetism is carrier-mediated and persists above room temperature is a major step toward the implementation of spintronic devices for processing, transferring, and storing of information. Among the many types of DMS materials which have been investigated, Mn-doped GaAs has become one of the best candidates for technological application. However, despite major developments over the last few decades, the maximum Curie temperature (~200 K) remains well below room temperature. In this work, we have studied the effect of Mn content and strain on the GaMnAs effective masses of electron, heavy and light holes calculated in the different crystallographic direction. Also, the Curie temperature in the DMS GaMnAs alloy is determined. Compilation of GaMnAs band parameters have been carried out using the 8-band k.p model based on Lowdin perturbation theory where spin orbit, sp-d exchange interaction, and biaxial strain are taken into account. Our results show that effective masses, calculated along the different crystallographic directions, have a strong dependence on strain, ranging from -2% (tensile strain) to 2% (compressive strain), and Mn content increased from 1 to 5%. The Curie temperature is determined within the mean-field approach based on the Zener model.

Keywords: diluted magnetic semiconductors, k.p method, effective masses, curie temperature, strain

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Authors: Lin Gong, Holger Göbel

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In the present study, we have investigated the influence of UV/ozone treatment on pentacene-based organic field effect transistors (OFETs) with a bilayer gate dielectric. The OFETs for this study were fabricated on heavily n-doped Si substrates with a thermally deposited SiO2 dielectric layer (300nm). On the SiO2 dielectric a very thin (≈ 15nm) buffer layer of polystyrene (PS) was first spin-coated and then treated by UV/ozone to modify the surface prior to the deposition of pentacene. We found out that by extending the UV/ozone treatment time the threshold voltage of the OFETs was monotonically shifted towards positive values, whereas the field effect mobility first decreased but eventually reached a stable value after a treatment time of approximately thirty seconds. Since the field effect mobility of the UV/ozone treated bilayer OFETs was found to be higher than the value of a comparable transistor with a single layer dielectric, we propose that the bilayer (SiO2/PS) structure can be used to shift the threshold voltage to a desired value without sacrificing field effect mobility.

Keywords: buffer layer, organic field effect transistors, threshold voltage, UV/ozone treatment

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Authors: M. Pacio, H. Juárez, R. Pérez-Cuapio E. Rosendo, T. Díaz, G. García

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In this study, zinc oxide (ZnO) quantum dots (QDs) have been prepared by a simple route. The growth parameters for ZnO QDs were systematically studied inside a SiO2 shell; this shell acts as a capping agent and also enhances stability of the nanoparticles in water. ZnO QDs in silica shell could be produced by initially synthesizing a ZnO colloid (containing ZnO nanoparticles in methanol solution) and then was mixed with 3-aminopropylsiloxane used as SiO2 precursor. ZnO QDs were deposited onto silicon substrates (100) orientation by spin-coating technique. ZnO QDs into a SiO2 shell were pre-heated at 300 °C for 10 min after each coating, that procedure was repeated five times. The films were subsequently annealing in air atmosphere at 500 °C for 2 h to remove the trapped fluid inside the amorphous silica cage. ZnO QDs showed hexagonal wurtzite structure and about 5 nm in diameter. The composition of the films at the surface and in the bulk was obtained by Secondary Ion Mass Spectrometry (SIMS), the spectra revealed the presence of Zn- and Si- related clusters associated to the chemical species in the solid matrix. Photoluminescence (PL) spectra under 325 nm of excitation only show a strong UV emission band corresponding to ZnO QDs, such emission is enhanced with annealing. Our results showed that the method is appropriate for the preparation of ZnO QDs films embedded in a SiO2 shell with high UV photoluminescence.

Keywords: ZnO QDs, sol gel, functionalization

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Authors: Mouad Ouafi, Lahoucine Atourki, Larbi Laanab, Erika Vega, Miguel Mollar, Bernabe Marib, Boujemaa Jaber

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Despite the astonishing emergence of the methylammonium lead triiodide perovskite as a promising light harvester for solar cells, their physical properties in solution-processed MAPbI₃ are still crucial and need to be improved. The objective of this work is to investigate the hot airflow effect during the growth of MAPbI₃ films using the spin-coating process on their structural, optical and morphological proprieties. The experimental results show that many physical proprieties of the perovskite strongly depend on the air flow temperature and the optimization which has a beneficial effect on the perovskite quality. In fact, a clear improvement of the crystallinity and the crystallite size of MAPbI₃ perovskite is demonstrated by the XRD analyses, when the airflow temperature is increased up to 100°C. Alternatively, as far as the surface morphology is concerned, SEM micrographs show that significant homogenous nucleation, uniform surface distribution and pin holes free with highest surface coverture of 98% are achieved when the airflow temperature reaches 100°C. At this temperature, the improvement is also observed when considering the optical properties of the films. By contrast, a remarkable degradation of the MAPbI₃ perovskites associated to the PbI₂ phase formation is noticed, when the hot airflow temperature is higher than 100°C, especially 300°C.

Keywords: hot air flow, crystallinity, surface coverage, perovskite morphology

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Authors: Achraf Al Faraj, Asma Sultana Shaik, Baraa Al Sayed

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Specific and effective targeting of drug delivery systems (DDS) to cancerous sites remains a major challenge for a better diagnostic and therapy. Recently, SWCNTs with their unique physicochemical properties and the ability to cross the cell membrane show promising in the biomedical field. The purpose of this study was first to develop a biocompatible iron oxide tagged SWCNTs as diagnostic nanoprobes to allow their noninvasive detection using MRI and their preferential targeting in a breast cancer murine model by placing an optimized flexible magnet over the tumor site. Magnetic targeting was associated to specific antibody-conjugated SWCNTs active targeting. The therapeutic efficacy of doxorubicin-conjugated SWCNTs was assessed, and the superiority of diffusion-weighted (DW-) MRI as sensitive imaging biomarker was investigated. Short Polyvinylpyrrolidone (PVP) stabilized water soluble SWCNTs were first developed, tagged with iron oxide nanoparticles and conjugated with Endoglin/CD105 monoclonal antibodies. They were then conjugated with doxorubicin drugs. SWCNTs conjugates were extensively characterized using TEM, UV-Vis spectrophotometer, dynamic light scattering (DLS) zeta potential analysis and electron spin resonance (ESR) spectroscopy. Their MR relaxivities (i.e. r1 and r2*) were measured at 4.7T and their iron content and metal impurities quantified using ICP-MS. SWCNTs biocompatibility and drug efficacy were then evaluated both in vitro and in vivo using a set of immunological assays. Luciferase enhanced bioluminescence 4T1 mouse mammary tumor cells (4T1-Luc2) were injected into the right inguinal mammary fat pad of Balb/c mice. Tumor bearing mice received either free doxorubicin (DOX) drug or SWCNTs with or without either DOX or iron oxide nanoparticles. A multi-pole 10x10mm high-energy flexible magnet was maintained over the tumor site during 2 hours post-injections and their properties and polarity were optimized to allow enhanced magnetic targeting of SWCNTs toward the primary tumor site. Tumor volume was quantified during the follow-up investigation study using a fast spin echo MRI sequence. In order to detect the homing of SWCNTs to the main tumor site, susceptibility-weighted multi-gradient echo (MGE) sequence was used to generate T2* maps. Apparent diffusion coefficient (ADC) measurements were also performed as a sensitive imaging biomarker providing early and better assessment of disease treatment. At several times post-SWCNT injection, histological analysis were performed on tumor extracts and iron-loaded SWCNT were quantified using ICP-MS in tumor sites, liver, spleen, kidneys, and lung. The optimized multi-poles magnet revealed an enhanced targeting of magnetic SWCNTs to the primary tumor site, which was found to be much higher than the active targeting achieved using antibody-conjugated SWCNTs. Iron-loading allowed their sensitive noninvasive tracking after intravenous administration using MRI. The active targeting of doxorubicin through magnetic antibody-conjugated SWCNTs nanoprobes was found to considerably decrease the primary tumor site and may have inhibited the development of metastasis in the tumor-bearing mice lung. ADC measurements in DW-MRI were found to significantly increase in a time-dependent manner after the injection of DOX-conjugated SWCNTs complexes.

Keywords: single-walled carbon nanotubes, nanomedicine, magnetic resonance imaging, cancer diagnosis and therapy

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Authors: Abhilasha Mishra, Neha Bhatt

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Super-hydrophobicity is an effect in which a surface roughness and chemical composition are combined to produce unusual water and dust repellent surface. The super-hydrophobic surface is widely used in many applications such as windshields of the automobile, aircraft, lens, solar cells, roofing, boat hull, paints, etc. Four coating solutions were prepared by varying compositions of 1,1,1,3,3,3 hexametyldisilazane (HDMS) and tetraethylorthosilicate (TEOS) sol. These solutions were coated on glass slides by a spin coating method and etched at a high temperature ranging 250 -350 oC. All the coatings were studied for its different properties like water repellent, anti-dust, and transparency and contact angle measurements. Stability of coatings was also studied with respect to temperature, external environment, and pH. It was found that all coatings impart a significant super-hydrophobicity on a glass surface with contact angle ranging from 156o to 162o and have good stability in the external environment. The results of the different coatings were observed and compared with each other. On increasing layers of coatings the super-hydrophobicity and anti-dust properties increases but after 3 coatings the transparency of coating starts decreasing.

Keywords: super-hydrophobic, contact angle, coating, anti-dust

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Authors: Subodh Kumar, Amit Varde

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Typical on-premises high-performance computing (HPC) environments consist of a fixed number and a fixed set of computing hardware. During the design of the HPC environment, the hardware components, including but not limited to CPU, Memory, GPU, and networking, are carefully chosen from select vendors for optimal performance. High capital cost for building the environment is a prime factor influencing the design environment. A class of software called “Job Schedulers” are critical to maximizing these resources and running multiple workloads to extract the maximum value for the high capital cost. In principle, schedulers work by preventing workloads and users from monopolizing the finite hardware resources by queuing jobs in a workload. A cloud-based HPC environment does not have the limitations of fixed (type of and quantity of) hardware resources. In theory, users and workloads could spin up any number and type of hardware resource. This paper discusses the limitations of using traditional scheduling algorithms for cloud-based HPC workloads. It proposes a new set of features, called “HPC optimizers,” for maximizing the benefits of the elasticity and scalability of the cloud with the goal of cost-performance optimization of the workload.

Keywords: high performance computing, HPC, cloud computing, optimization, schedulers

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Authors: Mihai I. Sturza, Laura T. Corredor, Kaustuv Manna, Gizem A. Cansever, Tushar Dey, Andrey Maljuk, Olga Kataeva, Sabine Wurmehl, Anja Wolter, Bernd Buchner

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Recently, the iridate double perovskite Sr₂YIrO₆ has attracted considerable attention due to the report of unexpected magnetism in this Ir⁵⁺ material, in which according to the Jeff model, a non-magnetic ground state is expected. Structural, magnetic and thermodynamic investigations of Sr₂YIrO₆ and Ba2YIrO6 single crystals, with emphasis on the temperature and magnetic field dependence of the specific heat will be presented. The single crystals were grown by using SrCl₂ and BaCl₂ as flux. Single-crystal X-ray diffraction measurements performed on several crystals from different preparation batches showed a high quality of the crystals, proven by the good internal consistency of the data collected using the full-sphere mode and an extremely low R factor. In agreement with the expected non-magnetic ground state of Ir⁵⁺ (5d4) in these iridates, no magnetic transition is observed down to 430 mK. Moreover, our results suggest that the low-temperature anomaly observed in the specific heat is not related to the onset of long-range magnetic order. Instead, it is identified as a Schottky anomaly caused by paramagnetic impurities present in the sample, of the order of

Keywords: double perovskites, iridates, self-flux grown synthesis, spin-orbit coupling

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Authors: Gizachew Belay Adugna, Yu-Tai Tao

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Perovskite solar cells (PSCs) have been gaining impressive progress with excellent power conversion efficiency (PCE) of 25.5% in small-area devices. However, the conventional film coating approach is not applicable to large-area module fabrication. Meniscus-guided coating, including blade coating, slot-die coating, and bar coating, is solution processing and promising for large-area and cost-effective film coating to industrial-scale PSCs. Here, we develop simple and scalable solution shearing (SS) and bar coating (BC) methods to coat all layers on large-area (10x10 cm²) substrate in FTO/c-TiO₂/mp-TiO₂/ CH₃NH₃PbI₃/Spiro-OMeTAD/Ag device structure, except the Ag electrode. All solution-sheared PSC exhibited a champion power conversion efficiency of 15.89% in the conational DMF/DMSO solvent. Whereas a very high PCE of 20.30% compared to the controlled spin-coated device (SC, 17.60%) was achieved from the large area sheared perovskite film in a green ACN/MA solvent. Similarly, a remarkable PCE of 18.50% was achieved for a device fabricated from a large-area perovskite film in a simpler and more compatible Bar-coating system. This strategy demonstrates the huge potential for module fabrication and future PSC commercialization.

Keywords: Perovskite solar cells, larger area film coating, meniscus-guided film coating, solution-shearing, bar-coating, power conversion efficiency

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Authors: Igor Filikhin, Vladimir M. Suslov, Roman Ya. Kezerashvili, Branislav Vlahivic

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The mass-polarization term of the three-body kinetic energy operator is evaluated for different systems which include two identical particles: A+A+B. The term has to be taken into account for the analysis of AB- and AA-interactions based on experimental data for two- and three-body ground state energies. In this study, we present three-body calculations within the framework of a potential model for the kaonic clusters K−K−p and ppK−, nucleus 3H and hypernucleus 6 ΛΛHe. The systems are well clustering as A+ (A+B) with a ground state energy E2 for the pair A+B. The calculations are performed using the method of the Faddeev equations in configuration space. The phenomenological pair potentials were used. We show a correlation between the mass ratio mA/mB and the value δB of the mass-polarization term. For bosonic-like systems, this value is defined as δB = 2E2 − E3, where E3 is three-body energy when VAA = 0. For the systems including three particles with spin(isospin), the models with average AB-potentials are used. In this case, the Faddeev equations become a scalar one like for the bosonic-like system αΛΛ. We show that the additional energy conected with the mass-polarization term can be decomposite to a sum of the two parts: exchenge related and reduced mass related. The state of the system can be described as the following: the particle A1 is bound within the A + B pair with the energy E2, and the second particle A2 is bound with the pair with the energy E3 − E2. Due to the identity of A particles, the particles A1 and A2 are interchangeable in the pair A + B. We shown that the mass polarization δB correlates with a type of AB potential using the system αΛΛ as an example.

Keywords: three-body systems, mass polarization, Faddeev equations, nuclear interactions

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Authors: Arnaud Nougues

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This paper describes a two-stage methodology derived from internal model control (IMC) for tuning a proportional-integral-derivative (PID) controller for levels or other integrating processes in an industrial environment. Focus is the ease of use and implementation speed which are critical for an industrial application. Tuning can be done with minimum effort and without the need for time-consuming open-loop step tests on the plant. The first stage of the method applies to levels only: the vessel residence time is calculated from equipment dimensions and used to derive a set of preliminary proportional-integral (PI) settings with IMC. The second stage, re-tuning in closed-loop, applies to levels as well as other integrating processes: a tuning correction mechanism has been developed based on a series of closed-loop simulations with model errors. The tuning correction is done from a simple closed-loop step test and the application of a generic correlation between observed overshoot and integral time correction. A spin-off of the method is that an estimate of the vessel residence time (levels) or open-loop process gain (other integrating process) is obtained from the closed-loop data.

Keywords: closed-loop model identification, IMC-PID tuning method, integrating process control, on-line PID tuning adaptation

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Authors: N. Rajeswara Rao, T. Venkatappa Rao, K. Sowri Babu, N. Srinivas Rao, P. S. V. Shanmukhi

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Carboxymethyl Starch (CMS) is a biopolymer derived from starch by the substitution method. CMS is proclaimed to have improved physicochemical properties than native starch. The present work deals with the effect of gamma radiation on the physicochemical properties of CMS. The samples were exposed to gamma irradiation of doses 30, 60 and 90 kGy. The resultant properties were studied with electron spin resonance (ESR), fourier transform infrared spectrometer (FTIR), differential scanning calorimeter (DSC), X-ray diffractometer (XRD) and scanning electron microscopy. Irradiation of CMS by gamma rays initiates cleavage of glucosidic bonds producing different types of radicals. Some of these radicals convert to peroxy radicals by abstracting oxygen. The ESR spectrum of CMS is anisotropic and is thought to be due to the superposition of various component spectra. In order to analyze the ESR spectrum, computer simulations were also employed. ESR spectra are also recorded under different conditions like post-irradiation times, variable temperatures and saturation behavior in order to evaluate the stability of free radicals produced on irradiation. Thermal studies from DSC depict that for CMS the gelatization process was absconded at higher doses. Relative crystallinity was reduced significantly after irradiation from XRD Studies. FTIR studies also confirm the same aspect. From ESR studies, it was concluded that irradiated CMS could be a potential reference material in ESR dosimetry.

Keywords: gamma rays, free radicals, ESR simulations, gelatization

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Authors: Wided Zerguine, Farid Habelhames

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The performance of photovoltaic devices with a light absorber consisting of a single-type conjugated polymer is poor, due to a low photo-generation yield of charge carriers, strong radiative recombination’s and low mobility of charge carriers. Recently, it has been shown that ultra-fast photoinduced charge transfer can also occur between a conjugated polymer and a metal oxide semiconductor such as SnO2, TiO2, ZnO, Nb2O5, etc. This has led to the fabrication of photovoltaic devices based on composites of oxide semiconductor nanoparticles embedded in a conjugated polymer matrix. In this work, Poly [2-methoxy-5-(20-ethylhexyloxy)-p-phenylenevinylene] (MEH-PPV), (6,6)-phenyl-C61-butyric acid methyl ester (PCBM) and titanium dioxide (TiO2) nanoparticles (n-type) were dissolved, mixed and deposited by physical methods (spin-coating) on indium tin-oxide (ITO) substrate. The incorporation of the titanium dioxide nanoparticles changed the morphology and increased the roughness of polymers film (MEH-PPV/PCBM), and the photocurrent density of the composite (MEH-PPV/PCBM +n-TiO2) was higher than that of single MEHPPV/ PCBM film. The study showed that the presence of n-TiO2 particles in the polymeric film improves the photoelectrochemical properties of MEH-PPV/PCBM composite.

Keywords: photocurrent density, organic nanostructures, hybrid coating, conducting polymer, titanium dioxide

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Authors: Dinesh Kumar Maurya, Sapan Mohan Saini

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A theoretical formalism to calculate the structural, electronic and optical properties of orthorhombic crystals from first principle calculations is described. This is applied first time to new YNi4Si-type DyNi4Si compound. Calculations are performed using full-potential augmented plane wave (FPLAPW) method in the framework of density functional theory (DFT). The Coulomb corrected local-spin density approximation (LSDA+U) in the self-interaction correction (SIC) has been used for exchange-correlation potential. Our optimized results of lattice parameters show good agreement to the previously reported experimental study. Analysis of the calculated band structure of DyNi4Si compound demonstrates their metallic character. We found Ni-3d states mainly contribute to density of states from -5.0 eV to the Fermi level while the Dy-f states peak stands tall in comparison to the small contributions made by the Ni-d and R-d states above Fermi level, which is consistent with experiment, in DNi4Si compound. Our calculated optical conductivity compares well with the experimental data and the results are analyzed in the light of band-to-band transitions. We also report the frequency-dependent refractive index n(ω) and the extinction coefficient k(ω) of the compound.

Keywords: band structure, density of states, optical properties, LSDA+U approximation, YNi4Si- type DyNi4Si compound

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Authors: B. Pavan Kumar Reddy, P. Michael Preetam Raj, Souri Banerjee, Souvik Kundu

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In this work, the fabrication and characterization of copper-doped zinc oxide (Cu:ZnO) based memristor devices with aluminum (Al) and indium tin oxide (ITO) metal electrodes are reported. The thin films of Cu:ZnO was synthesized using low-cost and low-temperature chemical process. The Cu:ZnO was then deposited onto ITO bottom electrodes using spin-coater technique, whereas the top electrode Al was deposited utilizing physical vapor evaporation technique. Ellipsometer was employed in order to measure the Cu:ZnO thickness and it was found to be 50 nm. Several surface and materials characterization techniques were used to study the thin-film properties of Cu:ZnO. To ascertain the efficacy of Cu:ZnO for memristor applications, electrical characterizations such as current-voltage (I-V), data retention and endurance were obtained, all being the critical parameters for next-generation memory. The I-V characteristic exhibits switching behavior with asymmetrical hysteresis loops. This work imputes the resistance switching to the positional drift of oxygen vacancies associated with respect to the Al/Cu:ZnO junction. Further, a non-linear curve fitting regression techniques were utilized to determine the equivalent circuit for the fabricated Cu:ZnO memristors. Efforts were also devoted in order to establish its potentiality for different electronic applications.

Keywords: copper doped, metal-oxides, oxygen vacancies, resistive switching

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Authors: Rawan Aljabbari, Thamer Alomayri, Faisal G. Al-Maqate, Abeer Al Suwat

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For environmentally friendly innovative technologies and a sustainable future, fly ash/TiO₂ thin film nanocomposites are essential. Fly ash will be doped with titanium dioxide in this work in order to better understand its optical characteristics and employ it in semiconductor electrical devices. This study focused on the structure, morphology, and optical properties of fly ash/TiO₂ thin films. The spin-coating technique was used to create thin coatings of fly ash/TiO₂. For the first time, the doping of TiO₂ in the fly ash host at ratios of 1, 2, and 3 wt% was investigated with the thickness of all samples fixed. When compared to undoped thin films, the surface morphology of the doped thin films was improved. The weakly crystalline structure of the doped fly ash films was verified by XRD. The optical bandgap energy of these films was successfully reduced by the TiO₂ doping, going from 3.9 to 3.5 eV. With increasing dopant concentration, the value of Urbach energy is increasing. The optical band gap is clearly in opposition to the disorder. While it considerably improved the optical conductivity to a value of 4.1 x 10^9 s^(-1), it also raised the refractive index and extinction coefficient. Depending on the TiO₂ doping ratio, the transmittance decreased, and the reflection increased. As the TiO₂ concentration rises, the absorption of photon energy rises, and the absorption coefficient of photon energy is reduced. results in their possible use as solar energy and semiconductor materials.

Keywords: fly ash, structural analysis, optical properties, morphology

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Authors: Jiwuer Jilili, Iogann Tolbatov, Mousumi U. Kahaly

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Metal to insulator transition and interfacial magnetism of the LaNiO₃ based superlattice are main interest due to thickness dependent electronic response and tunable magnetic behavior. We investigate the structural, electronic, and magnetic properties of recently experimentally synthesized (LaNiO₃)n/(CaMnO₃)m superlattices with varying LaNiO₃ thickness using density functional theory. The effect of the on-site Coulomb interaction is discussed. In switching from zero to finite U value for Ni atoms, LaNiO₃ shows transitions from half-metallic to metallic character, while spinning ordering changes from paramagnetic to ferromagnetic (FM). For CaMnO₃, U < 3 eV on Mn atoms results in G-type anti-FM spin ordering whereas increasing U value yields FM ordering. In superlattices, metal to insulator transition was achieved with a reduction of LaNiO₃ thickness. The system with one layer of LaNiO₃ yields insulating character. Increasing LaNiO₃ to two layers and above results in the onset of the metallic character with a major contribution from Ni and Mn 3d eg states. Our results for interfacial ferromagnetism, induced Ni magnetic moments and novel antiferromagnetically coupled Ni atoms are consistent with the recent experimental findings. The possible origin of the emergent magnetism is proposed in terms of the exchange interaction and Anderson localization.

Keywords: density functional theory, interfacial magnetism, metal-insulator transition, Ni magnetism.

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Authors: Abdelmajid Timoumi, Salah Alamri, Hatem Alamri

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TiO₂ Graphene Oxide (TiO₂-GO) nanocomposite was prepared using the spin coating technique of suspension of Graphene Oxide (GO) nanosheets and Titanium Tetra Isopropoxide (TIP). The prepared nanocomposites samples were characterized by X-ray diffractometer, Scanning Electron Microscope and Atomic Force Microscope to examine their structures and morphologies. UV-vis transmittance and reflectance spectroscopy was employed to estimate band gap energies. From the TiO₂-GO samples, a 0.25 μm thin layer on a piece of glass 2x2 cm was created. The X-ray diffraction analysis revealed that the as-deposited layers are amorphous in nature. The surface morphology images demonstrate that the layers grew in distributed with some spherical/rod-like and partially agglomerated TiGO on the surface of the composite. The Atomic Force Microscopy indicated that the films are smooth with slightly larger surface roughness. The analysis of optical absorption data of the layers showed that the values of band gap energy decreased from 3.46 eV to 1.40 eV, depending on the grams of GO doping. This reduction might be attributed to electron and/or hole trapping at the donor and acceptor levels in the TiO₂ band structure. Observed results have shown that the inclusion of GO in the TiO₂ matrix have exhibited significant and excellent properties, which would be promising for application in the photovoltaic application.

Keywords: titanium dioxide, graphene oxide, thin films, solar cells

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Authors: Vitalii Yu. Kapitan, Aleksandr V. Perzhu, Konstantin V. Nefedev

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The necessity of studying magnetic multilayer structures is explained by the prospects of their practical application as a technological base for creating new storages medium. Magnetic multilayer films have many unique features that contribute to increasing the density of information recording and the speed of storage devices. Multilayer structures are structures of alternating magnetic and nonmagnetic layers. In frame of the classical Heisenberg model, lattice spin systems with direct short- and long-range exchange interactions were investigated by Monte Carlo methods. The thermodynamic characteristics of multilayer structures, such as the temperature behavior of magnetization, energy, and heat capacity, were investigated. The processes of magnetization reversal of multilayer structures in external magnetic fields were investigated. The developed software is based on the new, promising programming language Rust. Rust is a new experimental programming language developed by Mozilla. The language is positioned as an alternative to C and C++. For the Monte Carlo simulation, the Metropolis algorithm and its parallel implementation using MPI and the Wang-Landau algorithm were used. We are planning to study of magnetic multilayer films with asymmetric Dzyaloshinskii–Moriya (DM) interaction, interfacing effects and skyrmions textures. This work was supported by the state task of the Ministry of Education and Science of the Russia # 3.7383.2017/8.9

Keywords: The Monte Carlo methods, Heisenberg model, multilayer structures, magnetic skyrmion

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Authors: Parul Jain, Jitendra Saha, L. C. Gupta, Satyabrata Patnaik, Ashok K. Ganguli, Ratnamala Chatterjee

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This study shows how sensitively and drastically multiferroic properties of CaMn₇O₁₂ get modified by isovalent Sr-doping, namely, in Ca₁₋ₓSrₓMn₇O₁₂ for x as small as 0.01 and 0.02. CaMn₇O₁₂ is a type-II multiferroic, wherein polarization is caused by magnetic spin ordering. In this report magnetic and ferroelectric properties of Ca₁₋ₓSrₓMn₇O₁₂ (0 ≤ x ≤ 0.1) are investigated. Samples were prepared by wet sol gel technique using their respective nitrates; powders thus obtained were calcined and sintered in optimized conditions. The X-ray diffraction patterns of all samples doped with Sr concentrations in the range (0 ≤ x ≤ 10%) were found to be free from secondary phases. Magnetization versus temperature and magnetization versus field measurements were carried out using Quantum Design SQUID magnetometer. Pyroelectric current measurements were done for finding the polarization in the samples. Findings of the measurements are: (i) increase of Sr-doping in CaMn₇O₁₂ lattice i.e. for x ≤ 0.02, increases the polarization, whereas decreases the magnetization and the coercivity of the samples; (ii) the material with x = 0.02 exhibits ferroelectric polarization Ps which is more than double the Ps in the un-doped material and the magnetization M is reduced to less than half of that of the pure material; remarkably (iii) the modifications in Ps and M are reversed as x increases beyond x = 0.02 and for x = 0.10, Ps is reduced even below that for the pure sample; (iv) there is no visible change of the two magnetic transitions TN1 (90 K) and TN2 (48 K) of the pure material as a function of x. The strong simultaneous variations of Ps and M for x = 0.02 strongly suggest that either a basic modification of the magnetic structure of the material or a significant change of the coupling of P and M or possibly both.

Keywords: ferroelectric, isovalent, multiferroic, polarization, pyroelectric

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Authors: Carlos A. Acosta, Amar Bhalla, Ruyan Guo

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Scraped surface heat exchangers (SSHE) use a rotor shaft assembly with scraping blades to homogenize viscous fluids during the heat transfer process. Obtaining in-situ measurements is difficult because the rotor and scraping blades spin continuously inside the mixing chamber, obstructing the instrumentation pathway. Computational fluid dynamics simulations provide useful insight into the flow behavior around the scraper blades for a variety of fluids and blade geometries. However, numerical solutions often focus on the fluid dynamics and heat transfer phenomena of rotating flow, ignoring the glass-transition temperature and freezing point depression. This research studies the multi-phase fluid dynamics and freezing point depression inside the SSHE with non-isothermal conditions in a time dependent process using an aqueous solution that contains 13.5 wt.% high fructose corn syrup and CO₂. The computational results were validated with in-situ pressure, temperature, and optical spectroscopy measurements. Results from the numerical model show good quantitatively agreement with experimental values.

Keywords: computational fluid dynamics, freezing point depression, phase-transition temperature, multi-phase flow

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Authors: H. Djaaboube, I. Loucif, Y. Bouachiba, R. Aouati, A. Maameri, A. Taabouche, A. Bouabellou

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Thin films of pure and barium-doped zinc oxide (ZnO) were prepared using a spray pyrolysis process. The films were deposited on glass substrates at 450°C. The different samples are characterized by X-ray diffraction (XRD) and UV-Vis spectroscopy. X-ray diffraction patterns reveal the formation of a single ZnO Wurtzite structure and the good crystallinity of the films. The substitution of Ba ions influences the texture of the layers and makes the (002) plane a preferential growth plane. At concentrations below 6% Ba, the hexagonal structure of ZnO undergoes compressive stresses due to barium ions which have a radius twice of the Zn ions. This result leads to the decrees of a and c parameters and, therefore, the volume of the unit cell. This result is confirmed by the decrease in the number of crystallites and the increase in the size of the crystallites. At concentrations above 6%, barium substitutes the zinc atom and modifies the structural parameters of the thin layers. The bandgap of ZnO films decreased with increasing doping; this decrease is probably due to the 4d orbitals of the Ba atom due to the sp-d spin-exchange interactions between the band electrons and the localized d-electrons of the substituted Ba ion. Although, the Urbache energy undergoes an increase which implies the creation of energy levels below the conduction band and decreases the band gap width. The photocatalytic activity of ZnO doped 9% Ba was evaluated by the photodegradation of methylene blue under UV irradiation.

Keywords: barium, doping, photodegradation, spray pyrolysis, ZnO

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Authors: Hiroyuki Aoki

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Polymeric materials are often used in a form of thin film such as food wrap and surface coating. In such the applications, polymer films thinner than 100 nm have been often used. The thickness of such the ultra-thin film is less than the unperturbed size of a polymer chain; therefore, the polymer chain in an ultra-thin film is strongly constrained. However, the details on the constrained dynamics of polymer molecules in ultra-thin films are still unclear. In the current study, the segmental dynamics of single polymer chain was directly investigated by fluorescence microscopy. The individual chains of poly(alkyl methacrylate) labeled by a perylenediimide dye molecule were observed by a highly sensitive fluorescence microscope in a defocus condition. The translational and rotational diffusion of the center segment in a single polymer chain was directly analyzed. The segmental motion in a thin film with a thickness of 10 nm was found to be suppressed compared to that in a bulk state. The detailed analysis of the molecular motion revealed that the diffusion rate of the in-plane rotation was similar to the thin film and the bulk; on the other hand, the out-of-plane motion was restricted in a thin film. This result indicates that the spatial restriction in an ultra-thin film thinner than the unperturbed chain dimension alters the dynamics of individual molecules in a polymer system.

Keywords: polymer materials, single molecule, molecular motion, fluorescence microscopy, super-resolution techniques

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Authors: Bahattin Abay

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Thin film of polycyclic aromatic hydrocarbon rubrene, C₄₂H₂₈ (5,6,11,12-tetraphenyltetracene), has been surfaced on Moderately Doped (MD) n-InP substrate as an interfacial layer by means of spin coating technique for the electronic modification of Au/MD n-InP structure. Ex situ annealing has been carried out at 150 °C for three minutes under a brisk flow of nitrogen for the better adhesion of the deposited film with the substrate surface. Room temperature electrical characterization has been performed on the C₄₂H₂₈/MD n-InP hybrid junctions by current-voltage (I-V) and capacitance-voltage (C-V) measurement in the dark. It has been seen that the C₄₂H₂₈/MD n-InP structure demonstrated extraordinary rectifying behavior. An effective barrier height (BH) as high as 0.743 eV, along with an ideality factor very close to unity (n=1.203), has been achieved for C₄₂H₂₈/n-InP organic/inorganic device. A thin C₄₂H₂₈ interfacial layer between Au and MD n-InP also reduce the reverse leakage current by almost four orders of magnitude and enhance the BH about 0.278 eV. This good performance of the device is ascribed to the passivation effect of organic interfacial layer between Au and n-InP. By using C-V measurement, in addition, the value of BH of the C₄₂H₂₈/n-InP organic/inorganic hybrid junctions have been obtained as 0.796 eV. It has been seen that both of the BH value (0.743 and 0.796 eV) for the organic/inorganic hybrid junction obtained I-V and C-V measurement, respectively are significantly larger than that of the conventional Au/n-InP structure (0.465 and 0.503 eV). It was also seen that the device had good sensitivity to the light under 100 mW/cm² illumination conditions. The obtained results indicated that modification of the interfacial potential barrier for Metal/n-InP junctions might be attained using polycyclic aromatic hydrocarbon thin interlayer C₄₂H₂₈.

Keywords: I-V and C-V measurements, heterojunction, n-InP, rubrene, surface passivation

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Authors: Murtaza Adil, Sen Yang, Zhou Chao, Song Xiaoping

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The morphotropic phase boundary (MPB) recently has attracted constant interest in ferromagnetic systems for obtaining enhanced large magnetoelastic response. In the present study, structural and magnetoelastic properties of MPB involved ferromagnetic Tb_1-xGd_xFe₂ (0≤x≤1) system has been investigated. The change of easy magnetic direction from <111> to <100> with increasing x up MPB composition of x=0.9 is detected by step-scanned [440] synchrotron X-ray diffraction reflections. The Gd substitution for Tb changes the composition for the anisotropy compensation near MPB composition of x=0.9, which was confirmed by the analysis of detailed scanned XRD, magnetization curves and the calculation of the first anisotropy constant K₁. The spin configuration diagram accompanied with different crystal structures for Tb_1-xGd_xFe₂ was designed. The calculated first anisotropy constant K₁ shows a minimum value at MPB composition of x=0.9. In addition, the large ratio between magnetostriction, and the absolute values of the first anisotropy constant │λ_S∕K₁│ appears at MPB composition, which makes it a potential material for magnetostrictive application. Based on experimental results, a theoretically approach was also proposed to signify that the facilitated magnetization rotation and enhanced magnetoelastic effect near MPB composition are a consequence of the anisotropic flattening of free energy of ferromagnetic crystal. Our work specifies the universal existence of MPB in ferromagnetic materials which is important for substantial improvement of magnetic and magnetostrictive properties and may provide a new route to develop advanced functional materials.

Keywords: free energy, magnetic anisotropy, magnetostriction, morphotropic phase boundary (MPB)

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Authors: Meseret Berhanie Menkir

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The present study explores folk dance, one of the folklore texts, its symbols, and its therapeutic role. As a case, the study concentrates on Astrio-Mariam and Merkorios Bera, celebrated on January 30 and February 3 at Deresgie-Mariam Church in Ethiopia. By taking a qualitative stance, the study analyses the meaning of folk dance, explains its role, and describes its types. The data gathered through observation, interview, and focus group discussion techniques are documented in field notes, audio, and video. The data obtained is analyzed using structural-functionalism, psychoanalysis, and semiotics. Accordingly, community members of all ages (mainly the Ethiopian Orthodox Tewahedo Church followers) participate in the performance. While the folk dance is a type of small group dance and group dance, the group has no feature of using men and women performing together. The folk dance's role is a form of healing and spiritual fulfilment besides entertainment. The folk dance also has sword dance characteristics; the study confirmed this feature in content and form. Moreover, the folk dance characterized by frequent shoulder and hand movements Wancha likleka (Horn-mug spin), Doro metet (Chicken drink), and sword dance depict wealth, heroism, and warfare. The instruments used in the performances are also alive, with religious symbols reaching from the drum, incense, and cross to the suffering of Jesus Christ from Hanna to Qeyafa, and references to the 12 Apostles.

Keywords: folk dance, festival, ritual, symbol, therapeutic

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Authors: Dinesh Pathaka, Tomas Wagnera, J. M. Nunzib

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We investigated blends of MdPVV.PCBM.AIS for photovoltaic application. AgInSe2 powder was synthesized by sealing and heating the stoichiometric constituents in evacuated quartz tube ampule. Fine grinded AIS powder was dispersed in MD-MOPVV and PCBM with and without surfactant. Different concentrations of these particles were suspended in the polymer solutions and spin casted onto ITO glass. Morphological studies have been performed by atomic force microscopy and optical microscopy. The blend layers were also investigated by various techniques like XRD, UV-VIS optical spectroscopy, AFM, PL, after a series of various optimizations with polymers/concentration/deposition/ suspension/surfactants etc. XRD investigation of blend layers shows clear evidence of AIS dispersion in polymers. Diode behavior and cell parameters also revealed it. Bulk heterojunction hybrid photovoltaic device Ag/MoO3/MdPVV.PCBM.AIS/ZnO/ITO was fabricated and tested with standard solar simulator and device characterization system. The best performance and photovoltaic parameters we obtained was an open-circuit voltage of about Voc 0.54 V and a photocurrent of Isc 117 micro A and an efficiency of 0.2 percent using a white light illumination intensity of 23 mW/cm2. Our results are encouraging for further research on the fourth generation inorganic organic hybrid bulk heterojunction photovoltaics for energy. More optimization with spinning rate/thickness/solvents/deposition rates for active layers etc. need to be explored for improved photovoltaic response of these bulk heterojunction devices.

Keywords: thin films, photovoltaic, hybrid systems, heterojunction

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Authors: Sanjeev Kumar Raghuwanshi, Yadvendra Singh

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The objective of this paper is to develop and optimize the Fiber Bragg (FBG) grating based Surface Plasmon Resonance (SPR) sensor for monitoring the hazardous toxic chemicals and gases in underground mines or any industrial area. A fully cladded telecommunication standard FBG is proposed to develop to produce surface plasmon resonance. A thin few nm gold/silver film (subject to optimization) is proposed to apply over the FBG sensing head using e-beam deposition method. Sensitivity enhancement of the sensor will be done by adding a composite nanostructured Graphene Oxide (GO) sensing layer using the spin coating method. Both sensor configurations suppose to demonstrate high responsiveness towards the changes in resonance wavelength. The GO enhanced sensor may show increased sensitivity of many fold compared to the gold coated traditional fibre optic sensor. Our work is focused on to optimize GO, multilayer structure and to develop fibre coating techniques that will serve well for sensitive and multifunctional detection of hazardous chemicals. This research proposal shows great potential towards future development of optical fiber sensors using readily available components such as Bragg gratings as highly sensitive chemical sensors in areas such as environmental sensing.

Keywords: surface plasmon resonance, fibre Bragg grating, sensitivity, toxic gases, MATRIX method

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