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Hydrothermal synthesis and comprehensive DFT evaluation of Ba2PrMnO6 double perovskite nanocrystals for next-generation spintronic and optoelectronic technologies
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Amid the growing demand for multifunctional and environmentally benign materials, lead-free double perovskites have emerged as a strategically important development in advanced functional materials research. This study presents the synthesis of Ba2PrMnO6 (BPMO) double perovskite nanocrystals for the first time via a hydrothermal method, and a comprehensive evaluation has been conducted using the density functional theory (DFT) framework. Structural, thermodynamic, electronic, optical, and mechanical properties were investigated through X-ray diffraction (XRD), ultraviolet-visible (UV-vis) spectroscopy, FESEM/EDX, FTIR, and density functional theory (DFT) calculations. XRD confirms a stable tetragonal I4/m phase with experimental lattice constants in excellent agreement with theory. UV-vis analysis reveals their semiconducting nature with a bandgap of 1.98 eV, consistent with DFT calculations, whereas electronic structure calculations show a combination of metallic and semiconducting behavior across spin channels. FESEM reveals nanoscale grains with an average particle size of ∼58 nm, while EDX confirms the elemental composition, purity and uniformity. FTIR identifies the presence of PrO6 and MnO6 octahedra in the sample. Optical spectra, dielectric response, and absorption features indicate the presence of strong orbital hybridization effects. Mechanical and thermodynamic stability demonstrates stable elastic behavior, phonon integrity, and predictable thermal trends, confirming the robustness of BPMO over a wide temperature range. A strong correlation between the lattice parameters, structural distortion, octahedral tilting, spin-polarized bandgap, and optical response underscores the potential of BPMO as a promising candidate for next-generation spintronic and optoelectronic applications. This journal is © The Royal Society of Chemistry,

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Publication Date
Thu Feb 29 2024
Journal Name
International Journal Of Design & Nature And Ecodynamics
Artificial Neural Network Assessment of Groundwater Quality for Agricultural Use in Babylon City: An Evaluation of Salinity and Ionic Composition
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Publication Date
Fri May 31 2019
Journal Name
Journal Of Engineering
Numerical Investigation of Heat Transfer Enhancement of Double Pipe Heat Exchanger Using Metal Foam Fins
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The influence of adding metal foam fins on the heat transfer characteristics of an air to water double pipe heat exchanger is numerically investigated. The hot fluid is water which flows in the inner cylinder whereas the cold fluid is air which circulates in the annular gap in parallel flow with water. Ten fins of metal foam (Porosity = 0.93), are added in the gap between the two cylinder, and distributed periodically with the axial distance. Finite volume method is used to solve the governing equations in porous and non-porous regions. The numerical investigations cover three values for Reynolds number (1000 ,1500, 2000), and Darcy number (1 x10-1, 1 x10-2, 1x10-3). The comparison betwee

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Publication Date
Sun Dec 30 2007
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Effect of Feed Concentration on the Production of Pregelatinized Starch in a Double Drum Dryer
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Double drum dryer is operated for producing pregelatinized maize starches using feed starch slurries of different
solids(7, 10 and13 g/100 g )content . Steam pressure (2,3,and 4 bar), the level of pool between the drums (4,7,and 10
cm) , and speed of drums rotation (3,4,and 6 rpm) are varied together with the feed solids content in a practical range of
values. The response of the dryer is registered by measuring several output variables, i.e. external drum temperature,
product moisture content, mass flow rate.

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Publication Date
Tue Dec 01 2020
Journal Name
Al-khwarizmi Engineering Journal
Impact of using Double Layers Perforated Liners on the Acoustic Treatments of the Combustor Systems
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The response of the combustor’s liner to the air-flow that passes through it is the key reason for the combustion chambers noise, hence the instabilities of those chambers that decreases the mechanical efficiency of such sections, by increased its mechanical vibrations, which increases the failure rate created during originating of the cracks spreading by the shakes producing by the series of high-level frequencies. Accordingly, any work debating the impact of the context of liners in the combustion chamber can provide grasping for the combustion noise generated by the undesirable vibrations, and benefits the industrial firms to design an ideal production procedure which increases the lifespan of the combustor. The goal of this wo

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Publication Date
Tue Dec 01 2020
Journal Name
Al-khwarizmi Engineering Journal
Impact of using Double Layers Perforated Liners on the Acoustic Treatments of the Combustor Systems
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The response of the combustor’s liner to the air-flow that passes through it is the key reason for the combustion chambers noise, hence the instabilities of those chambers that decreases the mechanical efficiency of such sections, by increased its mechanical vibrations, which increases the failure rate created during originating of the cracks spreading by the shakes producing by the series of high-level frequencies. Accordingly, any work debating the impact of the context of liners in the combustion chamber can provide grasping for the combustion noise generated by the undesirable vibrations, and benefits the industrial firms to design an ideal production procedure which increases the lifespan of the combustor. The goal of this work is

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Publication Date
Thu Sep 30 2010
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
POWER GENERATION FROM “PRO” PROCESS USING FLAT SHEET TFC–ULP KOCH MEMBRANES
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The production of power using the process of pressure–retarded osmosis (PRO) has been studied both experimentally and theoretically for simulated sea water vs. river water and deionized water under two cases: the first is for simulated real conditions of sea water and river water and second under low brine solution concentration to examine the full profile of the power- pressure. The influence of concentration polarization (CP) on water flux has been examined as well.

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Publication Date
Sat Nov 02 2024
Journal Name
Desalination And Water Treatment
Green power generation from the Tigris River using pressure retarded osmosis process
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Sustainability including renewable energy and green power, is one of the important feature in recent years due to environmental constraints and the emission of CO2 from fossil fuel. Pressure retarded osmosis (PRO) process is considered one of the effective technology for power generation. This study assessed the application of pressure retarded osmosis to produce power from Tigris River water in Baghdad City, Iraq. Spiral wound TFC membrane was tested in the PRO process with different variables. The effect of different types of draw solutions (MgCl2, NaCl, Sodium Formate, KCl, Sodium Acetate), applied pressure (0 – 7 bar), and draw solution concentration (0.08 and 0.4 M) were tested in this work. The flux, recovery, and power density for

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Publication Date
Tue Oct 01 2024
Journal Name
Desalination And Water Treatment
Green power generation from the Tigris River using pressure retarded osmosis process
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Sustainability including renewable energy and green power, is one of the important feature in recent years due to environmental constraints and the emission of CO2 from fossil fuel. Pressure retarded osmosis (PRO) process is considered one of the effective technology for power generation. This study assessed the application of pressure retarded osmosis to produce power from Tigris River water in Baghdad City, Iraq. Spiral wound TFC membrane was tested in the PRO process with different variables. The effect of different types of draw solutions (MgCl2, NaCl, Sodium Formate, KCl, Sodium Acetate), applied pressure (0 – 7 bar), and draw solution concentration (0.08 and 0.4 M) were tested in this work. The flux, recovery, and power density for

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Publication Date
Tue Aug 01 2023
Journal Name
International Journal Of Electrical And Computer Engineering (ijece)
Energy generation by crystalline silicon photovoltaic network per meter square in Iraq
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<span lang="EN-US">Iraqi people have been without energy for nearly two decades, even though their geographic position provides a high intensity of radiation appropriate for the construction of solar plants capable of producing significant quantities of electricity. Also, the annual sunny hours in Iraq are between 3,600 to 4,300 hours which makes it perfect to use the photovoltaics arrays to generate electricity with very high efficiency compared to many countries, especially in Europe. This paper shows the amount of electric energy generated by the meter square of crystalline silicon in the photovoltaic (PV) array that already installed in 18 states in Iraq for each month of the year. The results of the meter-square of PV arr

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Publication Date
Mon Dec 03 2018
Journal Name
Journal Of Engineering
Biotreatment of Actual Potato Chips Processing Wastewater with Electricity Generation in Microbial Fuel Cell
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This study aimed to investigate the feasibility of treatment actual potato chips processing wastewater in a continuously operated dual chambers microbial fuel cell (MFC) inoculated with anaerobic sludge. The results demonstrated significant removal of COD and suspended solids of more than 99% associated with relatively high generation of current and power densities of 612.5 mW/m3 and 1750 mA/m3, respectively at 100 Ω external resistance.

 

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