East European Journal of Physics

MHD Flow and Heat Transfer of a Ternary Hybrid Ferrofluid Over a Stretching/Shrinking Porous Sheet with the Effects of Brownian Diffusion and Thermophoresis

Thu, 02 Mar 2023 00:00:00 +0000

In this paper, the magnetohydrodynamic (MHD) flow of a ternary hybrid ferrofluid over a stretching/shrinking porous sheet in the presence of radiation and mass transpiration is studied. The ternary hybrid nanofluid is formed by suspending three types of nanoparticles for enhancing heat transfer. The nanoparticles of copper, (Cu) iron oxide (Fe₃O₄), and cobalt ferrite (CoFe₂O₄) are suspended in water in this study, producing in the combination Cu-Fe₃O₄-CoFe₂O₄-H₂O. Brownian motion and thermophoresis are integrated into the ternary hybrid ferrofluid model. Similarity transformations convert the governing partial differential equations into ordinary differential equations. The boundary value problem (BVP) is used in the Maple computer software to solve transformed equations numerically. The computed results for relevant parameters such as velocity profile, temperature profile, skin friction coefficient, local Nusselt and Sherwood numbers are visually shown and explained in detail.

Structural Variations of Dust Acoustic Solitary Waves (DASWs) Propagating in an Inhomogeneous Plasma

Hirak Jyoti Dehingia, P.N. Deka — Thu, 02 Mar 2023 00:00:00 +0000

This paper presents our theoretical investigations on the structural variations of dust acoustic solitary waves (DASWs) in inhomogeneous unmagnetized plasmas. To study the structural variations of DASWs, we have considered collisionless, hot isothermal, and Boltzmannean distribution for electrons-ions with negatively charged dust grains in weakly inhomogeneous plasmas. We have used the reductive perturbation technique (RPT) in the governing equations of plasmas, derived the modified Korteweg-de-Vries (m‑KdV) equation, and obtained the solitary wave solution. We have considered the appropriate stretched coordinates for space and time variables for the inhomogeneous plasma. This paper investigates the effects of dust particles on ion-acoustic solitary waves' propagation in the inhomogeneous plasma model. We have also included the effect of inhomogeneity parameters on the soliton structures.

The Influence of Deformation Phase-Space on Spectra of Heavy Quarkonia in Improved Energy Potential at Finite Temperature Model of Shrodinger Equation Via the Generalized Boob’s Shift Method and Standard Perturbation Theory

Abdelmadjid Maireche — Thu, 02 Mar 2023 00:00:00 +0000

In this work, we obtain solutions of the deformed Schrödinger equation (DSE) with improved internal energy potential at a finite temperature model in a 3-dimensional nonrelativistic noncommutative phase-space (3D-NRNCPS) symmetries framework, using the generalized Bopp’s shift method in the case of perturbed nonrelativistic quantum chromodynamics (pNRQCD). The modified bound state energy spectra are obtained for the heavy quarkonium system such as charmonium cc^- and bottomonium bb^- at ﬁnite temperature. It is found that the perturbative solutions of the discrete spectrum are sensible to the discreet atomic quantum numbers (j,l,s,m) of the ( QQ^-(Q=c,b)) state, the parameters of internal energy potential (T,α_s(T), m_D (T),β,c), which are the Debye screening mass m_D (T), the running coupling constant α_s(T) the critical temperature β, the free parameter c in addition to noncommutativity parameters (Θ,θ^-). The new Hamiltonian operator in 3D-NRNCPS symmetries is composed of the corresponding operator in commutative phase-space and three additive parts for spin-orbit interaction, the new magnetic interaction, and the rotational Fermi-term. The obtained energy eigenvalues are applied to obtain the mass spectra of heavy quarkonium systems (cc^- and bb^-). The total complete degeneracy of the new energy levels of the improved internal energy potential changed to become equal to the new value 3n² in 3D-NRNCPS symmetries instead of the value n² in the symmetries of 3D-NRQM. Our non-relativistic results obtained from DSE will possibly be compared with the Dirac equation in high-energy physics.

Bianchi Type V Universe with Time Varying Cosmological Constant and Quadratic Equation of State in f(R,T) Theory of Gravity

Chandra Rekha Mahanta, Shayanika Deka, Manash Pratim Das — Thu, 02 Mar 2023 00:00:00 +0000

In recent years, modified theories of gravity have been extensively studied because of the discovery and confirmation of the current phase of accelerated expansion of the universe. The f(R,T) theory of gravity is one such theory, proposed by Harko et al. in 2011, in which R is the Ricci scalar and T is the trace of the stress-energy tensor. In this paper, we study Bianchi type V universe in f(R,T) theory of gravity with time varying cosmological constant and a quadratic equation of state p=αρ²-ρ, where α≠0 is a constant. We obtain exact solutions of the field equations for two cases: one with a volumetric expansion law and the other with an exponential expansion law. The physical features of the two models are discussed by examining the behaviour of some important cosmological parameters such as the Hubble parameter, the deceleration parameter etc. We find that the models have initial singularity and the physical parameters diverge at the initial epoch. The model 1, corresponding to the volumetric expansion law does not resemble ΛCDM model while the model 2, corresponding to the exponential expansion law, resembles ΛCDM model. The energy conditions of the models are also examined and found to be consistent with recent cosmological observations.

Theoretical Investigation of Meson Spectrum via Exact Quantization Rule Technique

Thu, 02 Mar 2023 00:00:00 +0000

The energy eigenvalues with the Extended Cornell potential were obtained by analytically solving the radial Schrödinger equation using the Exact Quantization Rule technique (ECP). It was then used for computing the mass spectra of the heavy mesons like charmonium (cc^-) and bottomonium (bb^-) as well as heavy-light mesons such as bottom-charm bc^- and charm-Strange cs^- for various quantum states. Two exceptional cases such as the Coulomb and Cornell potentials, were taken into consideration when some of the potential parameters were set to zero. The current potential offers good outcomes when compared to experimental data and work of other researchers with a maximum error of 0.0065 GeV.

The Fractional Schrödinger Equation with the Generalized Woods-Saxon Potential

Mohamed Abu-Shady, Etido P. Inyang — Thu, 02 Mar 2023 00:00:00 +0000

The bound state energy eigenvalues and the corresponding eigenfunctions of the generalized Woods-Saxon potential reported in [Phys. Rev. C, 72, 027001 (2005)] is extended to the fractional forms using the generalized fractional derivative and the fractional Nikiforov-Uvarov (NU) technique. Analytical solutions of bound states of the Schrodinger equation for the present potential are obtained in the terms of fractional Jacobi polynomials. It is demonstrated that the classical results are a special case of the present results at α=β=1. Therefore, the present results play important role in molecular chemistry and nuclear physics.

Nuclear Energy Levels in 44Ca using FPD6pn Interaction

Maryam K. Hassan, Firas Z. Majeed — Thu, 02 Mar 2023 00:00:00 +0000

Nuclear energy levels; total angular moment, even-even parity, and even odd parities for nucleons that were present outside closed core for the isobars⁴⁴Ca nuclei, which occupied low levels fp-LS shell (1f_7/2,1f_5/2, 2p_3/2,2p_1/2), within shell model calculations had been studied. The interaction has been used to calculate the nuclear energy levels which are fpd6pnwith fp shell model space. The results are compared with each other and with available experimental data, its agreement with some results is clear. All inscriptions are given in diagrammatic notation., the wave vectors and analysis are modeled in the so-called diagrammatic notation. The potential of the oscillator is utilized to construct a single particle vector, considered as a core. The OXFORD BEUNES AIRES SHELL MODEL CODE (OXBASH) is utilized to accomplish the results for all tested nuclei, the results as illustrated in figure (1) revealing that the levels have somehow consisted especially below 4 MeV, and the order are arranged similarly to the experimental scheme. All the states inherent above 4MeV are shifted especially for the odd values of total spin (J), so the model and interaction need to be modified.

Theoretical Study of Proton Halo Structure and Elastic Electron Scattering Form Factor for 23Al and 27P Nuclei by Using Full Correlation Functions (Tensor Force and Short Range)

Abeer A.M. Hussein, Ghaith N. Flaiyh — Thu, 02 Mar 2023 00:00:00 +0000

The study of proton-rich nuclei's form factors, root-mean-square radius (rms), and nuclear density distributions is the focus of this work for nuclei (²³Al and ²⁷P), use two body charge density distributions (2BCDD's). With the effects of the strong tensor force and short range, the nucleon distribution function of the two oscillating harmonic particles in a two-frequency shell model operates with two different parameters: bc for the inner (core) orbits and bv for the outer (halo) orbitals. This work demonstrated the existence of proton halo nuclei for the nuclei (²³Al and ²⁷P) in the shell (2s_1/2), and the computed proton, neutron, and matter density distributions for these nuclei both displayed the long tail of the performance. Using the Borne approximation of the plane wave, the elastic form factor of the electron scattering from the alien nucleus was calculated, this form factor is dependent on the difference in the proton density distribution of the last proton in the nucleus. The Fortran 95 power station program was used to calculate the neutrons, protons, matter density, elastic electron scattering form factor, and rms radii. The calculated outcomes for these exotic nuclei agree well with the experimental data.

Theoretical Study of Matter Density Distributions, and Elastic Electron Scattering Form Factors of Exotic Nuclei (26F and 9C)

Abeer A.M. Hussein, Ghaith N. Flaiyh — Thu, 02 Mar 2023 00:00:00 +0000

Abstract: The distributions of nuclear density, root mean square radii, and elastic electron scattering form factor are calculated for nuclei (⁹C) (core +2p) and (²⁶F) (core +2n) with the two different nuclear potential parameters for (bc) and (bv), were correlations for both the (effects tensor force and short-range) are used, and the appearance of the long extension is observed in Nuclear density distributions for these nuclei. Fortran 95 power station was used to program nuclear properties such as nucleon density (matter, neutron, and proton), elastic electron scattering form factor, and rms radii. The computed results for these exotic nuclei are determined to correspond pretty well with the experimental data.

FP Shell Effective Interactions and Nuclear Shell Structure of 44Sc

Maryam K. Hassan, Firas Z. Majeed — Thu, 02 Mar 2023 00:00:00 +0000

Abstract: Nuclear energy levels in 44Sc isotope, with fp shell model space occupation low levels fp-LS shell within shell model calculations had been investigated. The interactions has been used to calculate the nuclear energy levels which are fpd6, hw, fpy, with fp shell model space, d3f7cospn for 1d3/21f7/2 model space. The results are compared with each other and with available experimental data, its agreement with some results are clear. The used of model space interactions is the best fitted two body matrix elements in fp shell model space beside the good agreements in the reproduced values of energy levels scheme. The general estimation of the reproduced data are good especially below 3MeV. All inscriptions are given in diagrammatic notation, the wave vectors and analysis are modeled in the so called diagrammatic notation. The potential of oscillator is utilized to construct single particle vector, considering (_20^40)〖Ca〗_20 as a core for fp shell model space and (_16^32)S_(16 ) as an inert core for the model space d3f7. The OXFORD BEUNES AIRES SHELL MODEL CODE is utilized to accomplish the results for all tested nuclei.

Vitrification of a Simulator of Vat Residues from Liquid Radioactive Waste

Thu, 02 Mar 2023 00:00:00 +0000

The study on the posibility of the use of the optimal glass compositions for vitrification of an imitator of vat residues of liquid radioactive waste from nuclear power plants with VVER-1000 reactors was carried out. The main process parameters such as vitrification temperature, strength, corrosion resistance, absence of crystalline phases, minimization of glass-forming additives and inclusion the maximum amount of waste were analyzed. It has been established that the melting temperature of lead-borosilicate glass matrices was 1150 °C, which satisfies the requirements for vitrification of low- and medium-level waste. The ultimate compressive strength of the obtained samples of glass matrices was 136.0 MPa. In addition, it has been shown that lead-borosilicate glass matrices are the most resistant to leaching. The cesium leaching rate was 1.5·10^-5 g/cm²·day.

Investigation of the Impact of Glass Waste in Reactive Powder Concrete on Attenuation Properties for Bremsstrahlung Ray

Wasan Z. Majeed, Rawaa K. Aboud, Nesreen B. Naji, Shatha D. Mohammed — Thu, 02 Mar 2023 00:00:00 +0000

Reactive Powder Concrete (RPC) is one of the most advanced recent high compressive strength concrete. This work explored the effects of using glass waste as a fractional replacement for fine aggregate in reactive powder concrete at levels of 0%, 25%, 50%, and 100%. Linear and mass attenuation coefficients have been calculated as a function of the sample's thickness and bremsstrahlung energy. These coefficients were obtained using energy selective scintillation response to bremsstrahlung having an energy ranging from (0.1-1.1) MeV. In addition, the half-value thickness of the samples prepared has been investigated. It was found that there is a reversal association between the attenuation coefficient and the energy of the bremsstrahlung ray.

The results showed that, with the exception of the specimen with a partial replacement of 25% glass waste, adding fine aggregate in part by glass waste had a negative impact on the reactive powder concrete's attenuation properties. That means the sample’s density can be improved with the glass waste content ratio to 25%. Also, the bremsstrahlung radiation shielding capabilities of reactive powder concrete can be enhanced using glass waste of not more than 25%.

The Electronic and Thermodynamic Properties of Ternary Rare Earth Metal Alloys

Aman Kumar, Anuj Kumar, Kamal Kumar, Rishi Pal Singh, Ritu Singh, Rajesh Kumar — Thu, 02 Mar 2023 00:00:00 +0000

This article uses the FP-LAPW approach within the DFT method, and the quasi-harmonic Debye model to investigate the electronic and thermodynamic properties of intermetallic rare earth materials (such as SmInZn, SmInCd, and SmTlZn). Thermodynamic properties were determined by the quasi-harmonic Debye model, whereas the FP-LAPW approaches within DFT method were utilized to derive electronic properties. The calculated structural parameters and the available experimental data have been examined, and it was observed that there was a good agreement between available experimental and calculated values of structural parameters. The electronic behavior of SmInZn, SmInCd and SmTlZn compounds shows the metallic character. We have examined a few thermodynamic characteristics. All calculated characteristics were found to match experimental or theoretical calculations.

A Qualitative Theoretical Study of Inorganic HTM-Free RbGeI3 Based Perovskite Solar Cells Using SCAPS 1D as a Pathway Towards 3.601% Efficiency

Thu, 02 Mar 2023 00:00:00 +0000

The presence of toxic lead in perovskite solar cells has hindered its commercial viability. In this present work, a mesoscopic inorganic lead-free perovskite solar cells based on RbGeI₃ was proposed and implemented using SCAPs simulation tool. The effect of electron transport material (ETM) and Absorber thickness were analyzed. When the device was first simulated, its power conversion efficiency (PCE), fill factor (FF), current density (J_sc), and open circuit voltage (V_oc) all reached values of 3.584% for PCE, 48.477% for FF, 25.385 mA/cm² for J_sc, and 0.291 V for V_oc. When the ETM and absorber are at their ideal thicknesses of 0.08 and 0.40, the development of efficiency becomes stable. Using the aforementioned parameters, the optimized PSC device produced the following values: PCE = 3.601%, J_sc = 25.386 mA/cm², V_oc = 0.291 V, and FF = 48.637%. The PCE improvement over the basic device without optimization is around 1.01 times. The findings indicate that perovskite solar cell lacking HTM has a substantial capacity to absorb photon energy and produce electrons. It has also shown how to create environmentally clean and economically viable technology.

Effect of Competing Ions on Multisorption (Cs+, Sr2+) by Composite Sorbents Based on Natural and Synthetic Zeolites

Oleksii Yu. Lonin, Volodymyr V. Levenets, Oleksandr P. Omelnyk, Andriy O. Shchur — Thu, 02 Mar 2023 00:00:00 +0000

In the course of the research, the effect of competing ions (Na⁺⁾ on multisorption (Cs⁺, Sr²⁺) by composite sorbents based on natural and synthetic zeolites under static conditions was studied. It was found that the maximum concentration of competing ions (0.4 g of NaCl per 100 ml of solution) leads to a decrease in cesium sorption by 20%, and strontium sorption decreases by 10%. At the same time, high rates of sorption of cesium and strontium are preserved. Thus, for a composite sorbent (clinoptilolite -30%: zeolite NaX -70%), the sorption of cesium was 67.9%, and the sorption of strontium was 87.6%. The analytical technique was developed on the basis of the PIXE (Proton Induced X-ray Emission) method and made it possible to qualitatively and quantitatively determine the content of isotopes. The work was performed at the analytical nuclear-physical complex "Sokil". The energy range of the electrostatic accelerator is 200-2000 keV. The complex made it possible to carry out all the main methods of analysis using ion beams. The targets were placed in the exit, at the Chamber for PIXE. To carry out measurements, a vacuum with a pressure of 10^-4 Pa was created in the chamber. To excite the atoms of cesium, strontium, a proton beam with an energy of Ер≈1400 keV was used. The characteristic X-ray radiation of the L-series of cesium atoms and K-series of strontium atoms was recorded by two detectors: XR-100CR Si-PIN X-Ray and Ge(HP). The sorption coefficient (Sorption, %) was used as a quantitative characteristic of the interaction of sorbents with cesium, strontium.

Monitoring of Radiation Defects Recovery in MgAl2O4 During Annealing by Optical Spectroscopy

Yurii Kazarinov, Ivan Megela, Oksana Pop — Thu, 02 Mar 2023 00:00:00 +0000

The extraordinary radiation resistance of single crystals and ceramics of magnesium-aluminum spinel to neutron irradiation is known, but the mechanisms that provide it are not yet understood. Irradiation of crystals with fast electrons creates defects partially similar to defects in neutron irradiation. The difference in the destructive effect is the significant level of ionization during electron irradiation. Therefore, to compare the results of irradiation by different sources, it is necessary to determine the parameters of radiation defects. One of them is the conditions of radiation damage recovery. When irradiating the crystals with electrons with an energy of 12.5 MeV to a fluence of 6.8∙10¹⁶ eV/cm², the concentration of defects such as F-centers 2.6∙10¹⁶ cm^-3 and V-centers 3∙10¹⁷ cm^-3 was obtained. TSL and optical absorption spectroscopy methods were used to determine the state of radiation defects in crystals during annealing. Since annealing at temperatures above 900 K leads to complete discoloration of all optically active centers, therefore, to determine the effect of annealing at higher temperatures, the crystals after annealing were irradiated with ultraviolet light. At temperatures above 900 K, cationic disorder begins to increase, but annealing at 1010 K for 30 minutes was not enough to completely restore the damage to the crystal lattice created by electron irradiation. This is expected, given the characteristic relaxation time of cation disorder, which reaches 1000 hours at this temperature. However, increasing the annealing temperature to 1050 K, in addition to the recovery of radiation defects, creates a noticeable additional difference in TSL, probably due to the formation of complexes from residual F-centers. However, determining the difference between irradiated and non-irradiated crystals gives a difference in the concentration of F-centers at the level of 10¹⁵ cm^-3.

Insinuation of Arrhenius Energy and Solar Radiation on Electrical Conducting Williamson Nano Fluids Flow with Swimming Microorganism: Completion of Buongiorno's Model

Muhammad Jawad — Thu, 02 Mar 2023 00:00:00 +0000

The enriched thermal mechanisms and progressive of nanomaterial has enthused scientists to give devotion to this area in current days. The versatile and synthesizing utilization of such particles embrace energy production, solar systems, heating and cooling monitoring processes, renewable energy systems, cancer treatments, hybrid-powered motors and Nano electronics. Furthermore, in this era of biotechnology and bioengineering, the bio convection of Nano fluids provides for some enthralling applications, such as enzymes, biosensors and biofuels. With such magnetic applications and attentions. A mathematical model is presented for evaluating the electrical conducting Williamson nano fluid with heat and mass transfer over a porous stretched sheet in the existence of bioconvection. The bioconvection of swimming microorganisms, thermal radiation,thermal conductivity and Arrhenius energy are new facets of this investigation. The higher order non-linear governing partial differential equations (PDEs) are solved by applying appropriate similarity variables and resulting couple of ordinary differential equations (ODEs) is produced. The developing set of ODEs is solved numerically by utilizing well known shooting technique with ND solve command in Wolfram MATHEMATICA and compare the result with pvb4c code in MATLAB. The graphs for different physical quantities of interest together with non-dimension velocity, temperature, concentration and density of micro-organisms profiles are discovered for involving parameters like .magnetic parameter, Brownian motion, Rayleigh number, Peclet number, Bioconvective Lewis number, parameter of thermophoresis and buoyancy ratio parameter. The influence of numerous parameters on flow and heat transfer characteristics are debated.

Structural, Electrical and Optical Studies of NixCd1-xS (x = 0.8, 0.6, 0.4 and 0.2) Nanoparticle System

Moly M. Rose, R. Sheela Christy, T. Asenath Benitta, J. Thampi Thanka Kumaran — Thu, 02 Mar 2023 00:00:00 +0000

This paper demonstrates the synthesis of Ni_xCd_1-xS (x=0.8,0.6,0.4,0.2) nanoparticles by microwave-assisted chemical precipitation method. The prepared samples were characterized by XRD, EDAX, SEM, UV-VIS, and PL spectroscopy. The energy-dispersive x-ray analysis confirms the existence of Nickel, Cadmium and Sulphur in proper ratios. The DC electrical resistances were measured in the temperature range of 300 K-500 K. The temperature resistance curves of all the samples show phase transitions above a particular temperature. The UV and PL spectra of all the samples were compared and studied.

Synthesis of SnS/SnO Nanostructure Material for Photovoltaic Application

Egwunyenga N. Josephine, Okunzuwa S. Ikponmwosa, Imosobomeh L. Ikhioya — Thu, 02 Mar 2023 00:00:00 +0000

Research Highlights

Successfully synthesized SnS/SnO nanostructured material using successors ionic layer absorption and reaction (SILAR) technique.
Granular nanocrystals were visible in the materials, and they were strewn unevenly and randomly throughout the glass surface.
It was found that the sample processed at room temperature had the largest energy band gap.
The transmittance in the visible area of the spectrum was stable and SnS/SnO was at its maximum in the UV region

In this research, the SILAR method was used to synthesize environmentally-friendly SnS/SnO material for photovoltaic application, where 0.1 M of tin (II) chloride dihydrate (SnCl₂.2H₂O) was used to create the cationic precursor solution, and 0.01 M of thioacetamide (C₂H₅NS) was used to create the anionic precursor solution. The X-ray diffraction patterns of SnS/SnO material deposited on glass substrate at various deposition temperatures recorded a major peak at 45^oC at 2 theta of 31.8997^o, which corresponds to the face-centered cubic crystal structure (FCC). Diffraction peaks are visible in the pattern at planes 111, 200, 210, 211, and 300, which correspond to angles of 26.58°, 31.89°, 39.61°, 44.18°, and 54.85°, respectively. It was discovered that the crystallite/grain size and the lattice parameters decrease as the temperature of the deposition material rises. Granular nanocrystals were visible in the materials, and they were strewn unevenly and randomly throughout the glass surface. The spectra of the absorbance demonstrate that as light radiation passed through SnS/SnO films, it absorbed radiation as the wavelength increased from the UV region to the ultraviolet region of the spectra. It was discovered that the precursor temperature influences the material's absorbance; as the temperature rises, the absorbance decreases, making SnS/SnO an excellent material for photovoltaic systems. The transmittance in the visible area of the spectrum was stable and SnS/SnO was at its maximum in the UV region, it increased as the wavelength increased in the NIR region. It was found that the sample processed at room temperature had the largest energy band gap. SnS/SnO reveals an increase in thickness from 114.42 – 116.54 nm which resulted in a downturn in the resistivity of the deposited film from 9.040×10⁹– 6.455×10⁹ (Ω·cm) while the conductivity of the deposited material increased from 1.106×10^-10 – 1.549×10^-10 (Ω·cm)^-1.

The The Green Synthesis of Copper Oxide Nanoparticles Using the Moringa Oleifera Plant and its Subsequent Characterization for Use in Energy Storage Applications

Thu, 02 Mar 2023 00:00:00 +0000

In this study, we describe the environmentally friendly synthesis of copper oxide (CuO) and its subsequent characterization for use in supercapacitors. Using extracts from dried, finely ground Moringa Oleifera as the reducing/capping agent, we created the CuO NP. The produced NPs were then examined using X-ray Diffractometer (XRD), Ultraviolet-Visible spectroscopy, energy dispersive spectroscopy (EDS), and scanning electron microscopy (SEM). Electrochemical analysis techniques like cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) review were utilized to look at the electrochemical behavior of CuO-based electrodes. The analysis that followed determined that the green synthesize CuO NPs displayed supercapacitive behavior. This suggests that the synthesized CuO NPs will naturally encourage application as supercapacitive electrodes because it has been found that NPs absorbance varies linearly with NPs concentration, the 0.6 moles of CuO NPs produced the highest absorbance reading of 0.35 at 398 nm. The reflection spectra demonstrate that the material exhibits low reflectance properties in the medium ultraviolet region. However, as the spectra move toward the visible light region, the reflectance rises to its maximum value of 16 percent in the short ultraviolet region. The calculated crystallite sizes are as follows: 0.2 mols CuO NP, 0.3 mols CuO NP, 0.4 mols CuO NP, 0.5 mols CuO NP, and 0.6 mols CuO NP at 43.14 nm, 43.68 nm, 24.23 nm, 5.70 nm, and 12.87 nm, respectively, where Average D = 25.93 nm is the average crystalline size across all samples. the emergence of cubic grains that resemble nanorods with tube-like holes, SEM images demonstrate that CuO NPs can be distinguished from one another as seen in 0.2 mole CuO NPs.

Preparation and Properties of ZrO2/SiC-H2O Nanofluids to Use for Energy Storage Application

Ahmed Hashim, Farhan Lafta Rashid, Noor Al-Huda Al-Aaraji, Bahaa H. Rabee — Thu, 02 Mar 2023 00:00:00 +0000

More than half of the energy used in total comes in the form of heat energy. An essential environmental protection technique to increase energy efficiency is learning how to employ thermal energy storage (TES) technology to fully use intermittent and unstable heat, such as solar heat utilization and industrial waste heat. Sensible heat storage, latent heat storage, and thermochemical heat storage are all types of thermal energy storage. This work describes the creation of ZrO2/SiC-H2O nanofluids and their characteristics for use in energy storage applications. Results reveal that increasing the concentration of ZrO2/SiC NPs from 0.3 gm/L to 1.2 gm/L at photon wavelength (=380nm) increased absorbance by roughly 83.7% and reduced transmittance by 81.2%. Additionally, when ZrO2/SiC NP concentrations rise, the absorbance rises as well, indicating improved nanofluid dispersion. Additionally, when the concentration of ZrO2/SiC NPs reached 1.2gm/L, the electrical conductivity of ZrO2/SiC-H2O nanofluids improved by nearly 74%, and the melting time reduced with an increase in the concentration of ZrO2/SiC nanoparticles.

Nanofluids of PEG/MgO/SiC-H2O as Excellent Heat Transfer Medium: Synthesis, Properties and Application

Farhan Lafta Rashid, Ahmed Hashim, Noor Al-Huda Al-Aaraji, Aseel Hadi — Thu, 02 Mar 2023 00:00:00 +0000

Today, one of the most significant and widely used engineering fields is heat transfer science. Saving energy and increasing efficiency are crucial given the need for energy management. Numerous sectors, including the cooling of machinery in power plants, the car industry, electronic equipment, and heat exchangers, heavily rely on fluid heat transfer. Improved design and functionality of thermal systems are made possible by increased heat transfer rate by fluids. This study presents the production, characteristics, and potential uses of PEG/MgO/SiC-H2O nanofluids as superior heat transfer media. Results indicate that when the quantity of MgO/SiC nanoparticles increased, the melting time reduced. Additionally, when the MgO/SiC NP concentration increased from 3 to 12 weight percent after 15 minutes, the reduction in melting time reached 65.5%. Additionally, when the concentration of MgO/SiC NPs was increased from 3 weight percent to 12 weight percent at photon wavelength (λ=400 nm), the electrical conductivity of PEG/MgO/SiC-H2O nanofluids increased by about 30.6%. At the same time, the absorbance increased by about 66.4% and the transmittance decreased by 58.8%.

Exploring the Optical and Electrical Characteristics of MgO/SiC-H2O Nanofluids for Thermal Energy Storage

Farhan Lafta Rashid, Ahmed Hashim, M.H. Abbas, Aseel Hadi — Thu, 02 Mar 2023 00:00:00 +0000

Heat is transferred to storage medium during the charging phase of thermal energy storage (TES), and it is then released during the discharging phase. It may be used to industrial operations like metallurgical transformations or solar power facilities. Heat is stored in materials that alter temperature, phase, or chemical composition in sensible, latent, and thermochemical media, respectively. Optimal heat storage has a long history. This study describes investigating the optical and electrical properties of MgO/SiC-H2O nanofluids for applications including thermal energy storage. Results indicate that when MgO/SiC NP concentrations were raised to 1.2 gm/L, absorbance rose by approximately 66.9% and transmittance by about 54%. Additionally, the increase in MgO/SiC NP concentration will raise absorbance, which indicates improved nanofluid dispersion. Additionally, when MgO/SiC nanoparticle concentrations approach 1.2 gm/L, the electrical conductivity of nanofluids increases by roughly 49.2%, and the melting time reduces as the concentration of MgO/SiC nanoparticles rises.

Preparation of Nanofluids from Inorganic Nanostructures Doped PEG: Characteristics and Energy Storage Applications

Ahmed Hashim, Farhan Lafta Rashid, M.H. Abbas, Bahaa H. Rabee — Thu, 02 Mar 2023 00:00:00 +0000

Polymeric nanocomposites have drawn a lot of interest when it comes to innovative materials because of their enhanced optical, electrical, and magnetic properties. These materials have a high rising modulus, are flame resistant, and may also halt oxidation and agglomeration. These improvements in properties are related to interactions between nanoparticles and polymers. The addition of nanoparticles to polymers prolongs their life, changes their surface via passivation defect levels, and provides low cost, simple device manufacture, as well as adjustable electrical and optical properties. This study examines the properties and potential uses of nanofluids made from inorganic nanostructures doped with PEG. The results demonstrate that when the concentration of ZrO2/SiC NPs increased to 12wt%, the electrical conductivity of nanofluids increased by roughly 43.6%. Additionally, when the concentration of ZrO2/SiC nanoparticles increases, the melting time reduces. Additionally, when the concentration of ZrO2/SiC NPs increases from 3 weight percent to 12 weight percent within 15 minutes, the growth of melting time reaches 51.2%, and the absorbance increases by approximately 80.3% while transmittance decreases by about 82.5%.

Influence of Deposition Voltage on Strontium Sulphide Doped Silver for Optoelectronic Application

Thu, 02 Mar 2023 00:00:00 +0000

In the research electrochemical deposition technique was use in deposition of undoped SrS and doped SrS with silver were 0.01 mol of thioacetamide (C₂H₅NS), 0.1 mol of strontium chloride hexahydrate (SrCl2.6H2O), and 0.01 mol of silver nitrate (AgNO3) were utilized as the cationic, anionic, and dopant concentrations. The XRD spectra of the SrS and SrS doped silver showed prominent crystalline peaks at angles of 26.69°, 37.97°, 51.39°, and 65.56° for SrS and 26.42°, 33.42°, 37.98°, and 51.32° for SrS/Ag, respectively, with corresponding diffraction planes (111), (112), (200), and (211). However, the diffraction pattern shows that the peak intensity increases as the deposition voltage increases. The undoped SrS material morphology has a clove-like substance with precipitate; the large nano grain on the substrate's surface exhibits photon absorption but shows no traces of pinholes. When doped SrS is deposited at various precursor voltages, it forms uniform surfaces devoid of pinholes. The cell also penetrates the substrate being used for the deposition, as seen by the elemental makeup of the films. It was observed that SrS/Ag at 10V and 12V had little precipitate on the surfaces; this is because a carbon electrode was utilized, which tends to react with electrolyte at low voltages but does not do so at 14V. The films show that when the deposition voltage increased, the electrical resistivity decreased from 1.42 x 10⁹ to 1.37 x 10⁹Ω.m and the thickness decreased from 125.02 to 123.025nm. This further led to an increase in conductivity from 7.04 x 10⁸ to 7.29 x 10⁸ S/m. It was discovered that the absorbance decreases as the electromagnetic radiation's wavelength grows and the deposition voltage rises. According to research done on the deposited material, its energy bandgap lies between 1.55 and 2.51 eV.

The Computational Investigation of IR and UV-Vis Spectra of 2-isopropyl-5-methyl-1,4-benzoquinone Using DFT and HF Methods

Salah M.A. Ridha, Zahraa Talib Ghaleb, Abdulhadi Mirdan Ghaleb — Thu, 02 Mar 2023 00:00:00 +0000

A theoretical study on the thymoquinone compound has been performed through two theoretical methods, DFT/B3LYP and HF with 6-31G, 6-31G(d, p) and 6-31++G(d, p) basis sets using Gaussian 09 program. Some theoretical properties, like vibrational and electronic properties especially UV-Vis and FT-IR spectra, of the title compound were analyzed and then compared with available experimental data. The calculated harmonic vibrational frequencies have been scaled with standard scaling factors 0.9 and 0.965 for HF and DFT/B3LYP, respectively and then compared with available experimental FT-IR spectrum. Furthermore, the statistical analysis was investigated to evaluate the performance of both the HF and DFT methods, including root mean square error (RMSE), mean absolute error (MAE) and mean percentage error (MPE). According to the assigned vibrational modes of the title compound, it could be concluded that the DFT/B3LYP method with 6-31++G(d, p) basis set had the best agreement with experimental data. UV-Vis absorption spectra, excitation energies, maximum absorption wavelength, electronic transitions and oscillator strengths of the title compound were calculated by time dependent density functional theory ( TD-DFT) method using the same basis set and compared with available experimental data. The results showed the best performer was HF method with 6-31G basis set.

Molecular Geometry, Homo-Lumo Analysis and Mulliken Charge Distribution of 2,6-Dichloro-4-Fluoro Phenol Using DFT and HF Method

Surbhi, Deeya Shalya, Sarvendra Kumar — Thu, 02 Mar 2023 00:00:00 +0000

Phenolic compounds are used in human diet, commonly present in plants. Foremost polyphenolic compounds found in plants are flavanols, flavonoids, flavonones, iso-flavones, phenolic acids, flavonoids, chalcones, lignans etc. These compounds possess antimicrobial, antiviral and anti-inflammatory properties along with high antioxidative activity. The antioxidative activity of phenolic compounds depends on their structure. The polyphenols are very useful for the treatment of inflammation, cancer, anti-ageing purposes in cosmetic formulations, and nutraceutical applications. This article focused on substituted phenol, taking into concern their potential health benefits. The recent rise in machine-learning methods has engendered many advances in the molecular sciences. Using desired level of electronic structure theory from density functional theory, we can calculate the properties (electronic structure, force field, energy) of atomistic systems. The full electron density carries with it a considerable computational cost. While the DFT calculation loses accuracy when the molecule is either extended or compressed, Δ-DFT corrects these errors. Here, molecular point group symmetries are used to obtain chemical accuracy. The optimal 2,6-dichloro-4-fluoro phenol molecular geometry was derived using the 6-311+G (d, p) basis set and DFT/B3LYP (density functional theory) and Hartree-Fock (HF) techniques. A detailed interpretation of Homo-Lumo analysis of 2,6-dichloro-4-fluoro phenol is also listed. Using the 6-311+G (d, p) basis set and the Hartree-Fock (HF) method, the Mulliken charge distribution of this molecule has also been computed.

Semi-Empirical Investigation of Electronic, Vibrational and Thermodynamic Properties of Perylene Molecule (C20H12)

Thu, 02 Mar 2023 00:00:00 +0000

This work investigates computationally the spectroscopic and thermodynamics properties of the perylene molecule (C₂₀H₁₂) in the gas phase by utilizing a semi-empirical method [Hyper Chem8.0 and WinMopac7.0] programs, via (MNDO-PM3). This method is providing more simplicity and quick performance. The electronic properties such as total energy, dissociation energy, molecular orbital, ionization potentials, electronic affinity, and energy gap were calculated. However, vibration analysis and UV-visible spectra have been calculated. Moreover, the thermodynamic properties at the standard temperature such as heat of formation, entropy, enthalpy, heat capacity, and Gibbs free energy were calculated.

Semi-Empirical Predictions for Hardness of Rare Earth Pyrochlores; High-Permittivity Dielectrics and Thermal Barrier Coating Materials

Thu, 02 Mar 2023 00:00:00 +0000

Herein, we have formulated a simplistic semi-empirical model for Vicker’s hardness of rare earth based pyrochlore compounds. We have considered the structured 97 pyrochlore compounds for Vicker’s hardness calculations. The plasmon energy (ħω_p) depends on basic parameters of the material such as N_e-effective number of free electrons per unit volume participating in plasma oscillations, e-electronic charge and m-mass of an electron. The proposed model predicts that the experimental and theoretical values of Vicker’s hardness increases as plasmon energy of pyrochlore increases. We have found that the calculated values are in better agreement with available experimental and theoretical data, which supports the validity of the model. This model supports the modeling of emerging functional pyrochlore compounds and helps to understand their mechanical properties for excellent thermal stability, superconductivities, batteries, ferroelectricity, water spitting, high ionic conductivity, good photoluminescence, inherent oxygen vacancies, exotic magnetism, and now-a-days most importantly in nuclear waste encapsulation and aerospace industry

Structural, Electrical and Optical Studies of ZnxCu1-xS (x = 0.8, 0.6, 0.4 and 0.2) Nanoparticles

Moly M. Rose, R. Sheela Christy, T. Asenath Benitta, J. Thampi Thanka Kumaran — Thu, 02 Mar 2023 00:00:00 +0000

Zn_xCu_1-xS (x = 0.8, 0.6, 0.4 and 0.2) nanoparticles were synthesized by microwave assisted chemical precipitation method. The as-synthesized nanoparticles were characterized by X ray diffraction, SEM and TEM analysis to study the crystal structure, size and surface morphology. The energy dispersed x-ray analysis confirms the presence of Zinc, Copper and Sulphur in proper ratio. The D.C. electrical resistance was measured in the temperature range 300K-500K. All the samples show phase transition above a particular temperature. UV, PL and Raman spectra of all the samples were compared and studied.

Interactions of Fibrillar Proteins with Lipids: A Molecular Docking Insight

Thu, 02 Mar 2023 00:00:00 +0000

The aggregation of misfolded proteins into specific ordered aggregates, amyloid fibrils, associated with more than forty human diseases, currently attracts great research attention in biomedical and nanotechnological aspects. These aggregates and their oligomeric intermediates are thought to exert their toxic action predominantly at the level of cell membranes. In addition, membrane lipids were found in many amyloid deposits in vivo suggesting that lipid molecules are able to incorporate into fibril structure affecting their morphology and mechanical properties. However, the biological implications and structural prerequisites of fibril-lipid interactions still remain unclear. In the present study the molecular docking techniques was employed to explore the interactions between the amyloid fibrils and lipids in the model systems containing the fibrillar forms of lysozyme, insulin, Aβ (1-42) peptide and N-terminal (1-83) fragment of apolipoprotein A-I, as a protein component and cholesterol, cardiolipin or phosphatidylcholine as a lipid component. Using the PatchDock web server and BIOVIA Discovery Studio software, the structural peculiarities of fibril-lipid associates were uncovered. The van der Waals and alkyl/π-alkyl interactions were found to prevail in stabilization of all types of fibril-lipid complexes. The analysis of most energetically favorable docking positions revealed a preferable surface location of lipids and partial penetration of acyl chains of cardiolipin and phosphatidylcholine into fibril grooves.

Evaluation of the Influence of Body Mass Index and Signal-to-Noise Ratio on the PET/CT Image Quality in Iraqi Patients with Liver Cancer

Aya B. Hade, Samar I. Essa — Thu, 02 Mar 2023 00:00:00 +0000

Image quality has been estimated and predicted using the signal to noise ratio (SNR). The purpose of this study is to investigate the relationships between body mass index (BMI) and SNR measurements in PET imaging using patient studies with liver cancer. Three groups of 59 patients (24 males and 35 females) were divided according to BMI. After intravenous injection of 0.1 mCi of ¹⁸F-FDG per kilogram of body weight, PET emission scans were acquired for (1, 1.5, and 3) min/bed position according to the weight of patient. Because liver is an organ of homogenous metabolism, five region of interest (ROI) were made at the same location, five successive slices of the PET/CT scans to determine the mean uptake (signal) values and its standard deviation. We obtained the liver's Signal-to-Noise Ratio from the ratio of both. Weight, height, SNR, and Body Mass Index were determined using a spreadsheet, and graphs were created to show the relationship between these variables. The graphs demonstrated that SNR decreases when BMI increases and that, despite an increase in injection dose, SNR also decreases. This is because heavier individuals take higher doses and, according to reports, have lower SNR. These results show that, despite receiving larger FDG doses, heavier patients' images, as measured by SNR, are of lower quality than thinner patients' images.

Enhancement of the TPD/AgO NPs Hybrid Photodetector by Adding PEDOT PSS

Shahlaa Majid J., Omar Adnan — Thu, 02 Mar 2023 00:00:00 +0000

A photodetector was prepared by fusing AgO nanoparticles with a TPD polymer and depositing a TPD:AgO mixture on PS substrates using a spin coating technique. The response time of the synthesized (PSi/TPD:AgO) detector (by using a tungsten lamp with a 250 W/cm²) and its value (0.35 s) were measured in seconds. The detection, specificity, and photoresponse were (6.23 x 108 W^-1, 3.611 x 108 W^-1Hz^1/2cm, and 19.072 x 10^-3 A/W). Hall measurements show that n-type nanoparticles have a carrier concentration of about (-1.15 x 1017 cm⁻³).With the addition of PEDOTPSS material, the detection, specificity, optical response, and detector response time were improved to (80.06 x 108 W^-1, 46.4 x 108 W^-1Hz^1/2cm, 2019.48 x 10^-3 A/W, and 5.3 ms), respectively.

Synthesis of Graphene via ARC Discharge and Its Characterization: A Comparative Approach

Michael O. Awoji, Audu D. Onoja, Mathias I. Echi — Thu, 02 Mar 2023 00:00:00 +0000

Herein, few layer graphene was synthesize using two arc discharge chambers of different volumes to ascertain the influence of chamber size on the quality and yield of graphene. In both arc discharge chambers (A and B), graphite rods were ignited at arc current of 200 A and pressure of 500 Torr to produce vaporized carbon atoms which were deposited on the chamber wall. The synthesized graphene was characterized using the combined effect of UV spectroscopy, X-ray diffraction, Raman spectroscopy, scanning electron spectroscopy and transmission electron spectroscopy. It was observed that, an increase in the chamber size led to an increase in the number of graphene layers (4 – 6 layers) and an increase in the crystalline size D (9.6 – 17.4 nm) as revealed by XRD results. Raman analysis shows lower value of I_D/I_G of 0.62 indicating the presence of lower defect in chamber A as compared to the I_D/I_G value of 0.93 observed in chamber B. A graphene yield of 0.96 g was obtained from chamber A while 0.67 g of the same product was obtained from chamber B. The fabricated arc discharge systems suggest that a larger chamber size could promote a better yield of graphene on an industrial scale. Hence, the research is relevant to the development of larger amounts of quality FLG for industrial device applications.