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Ab initio study of structural, mechanical and electronic properties of 3d transitional metal carbide in cubic rocksalt (rs), zincblende (zb), and cesium chloride (cc) structures by using LDA and GGA Approximation
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This study rigorously investigates three 3d transition metal carbide (TMC) structures via LDA and GGA approximations. It examines cohesive energy (Ecoh), Vickers hardness (Hv), mechanical stability, and electronic properties. Notably, most 3d TMCs exhibit higher cohesive energy than nitrides, and rs-TiC demonstrates a Vickers hardness of 25.66 GPa, outperforming its nitride counterpart. The study employs theoretical calculations to expedite research, revealing mechanical stability in CrC and MnC (GGA) and CrC (LDA in cc structure), while all 3d TMCs in rs and seven in zb structures show stability. Charge transfer and bonding analysis reveal enhanced covalency along the series, influenced by the interplay between p orbitals of carbon and d orbitals of the metal. Most 3d TMCs exhibit metallic properties, excluding zb-TiC and zb-FeC in all phases. An inverse correlation between elastic constant C44 and electronic states near the Fermi level (EF) emerges, guiding applications and design. This study efficiently uncovers 3d TMC properties, offering insights for applications and design.

Publication Date
Sun Dec 01 2024
Journal Name
Energy Storage
Comprehensive Study of PAN-NaBF4 Solid Polymer Electrolytes: Insights Into Optical, Structural, Thermal, Electrical, and Electrochemical Properties for Sodium-Ion Batteries
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This research explores the use of solid polymer electrolytes (SPEs) as a conductive medium for sodium ions in sodium‐ion batteries, presenting a possible alternative to traditional lithium‐ion battery technology. The researchers prepare SPEs with varying molecular weight ratios of polyacrylonitrile (PAN) and sodium tetrafluoroborate (NaBF4) using a solution casting method with dimethyl formamide as the solvent. Through optical absorbance measurements, we identified the PAN:NaBF4 (80:20) SPE composition as having the lowest energy band gap value (4.48 eV). This composition also exhibits high thermal stability based on thermogravimetric analysis results. Electrochemical impedance spectroscopy re

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Publication Date
Sun Jan 05 2014
Journal Name
Paripex - Indian Journal Of Research
Effect of heat treatment on the structural and optical properties of CuIn1-xGaxSe thin films
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The structural, optical properties of cupper indium gallium selenite (CuIn1-xGaxSe) have been studied. CuIn1-xGaxSe thin films for x=0.6 have been prepared by thermal evaporation technique, of 2000±20 nm thickness, with rate of deposition 2±0.1 nm/sec, on glass substrate at room temperature. Heat treatment has been carried out in the range (373-773) K for 1 hour. It demonstrated from the XRD method that all the as-deposited and annealed films have polycrystalline structure of multiphase. The optical measurement of the CIGS thin films conformed that they have, direct allowed energy gap equal to 1.7 eV. The values of some important optical parameters of the studied films such as (absorption coefficient, refractive index, extinction coeffici

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Publication Date
Sun Jan 12 2020
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability
The effect of doping process on the structural and optical properties of Ag2Se thin films.
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Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
The effect of the Doping with Cobalt Transition Metal on the Dielectric and Structural Properties of Fe<sub>0.5</sub>Co<sub>x</sub>Mg<sub>0.95-x</sub>O Nanoparticles Synthesized by Sol-Gel Assisted Auto-Combustion
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Abstract<p>The compound Fe<sub>0.5</sub>Co<sub>x</sub>Mg<sub>0.95-x</sub>O where (x= 0.025, 0.05, 0.075, 0.1) was prepared via the sol-gel technique. The crystalline nature of magnesium oxide was studied by X-ray powder diffraction (XRD) analysis, and the size of the sample crystals, ranging between (16.91-19.62nm), increased, while the lattice constant within the band (0.5337-0.4738 nm) decreased with increasing the cobalt concentration. The morphology of the specimens was studied by scanning electron microscopy (SEM) which shows images forming spherical granules in addition to the presence of interconnected chips. The presence of the elements involved in the super</p> ... Show More
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Publication Date
Thu Oct 15 2026
Journal Name
Journal Of Baghdad College Of Dentistry
Histological and mechanical evaluation of the osseointegration of titanium implants by the modifications of thread design and/or coating with flaxseed (An experimental study on rabbits)
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Background: Dental implant surface technologies have been evolving rapidly to enhance a more rapid bone formation on their surface and improve implant therapy.Implant threads should be designed to increase surface contact areathat induced better stability. In addition, implant surface coating with Flaxseed was used to enhance bone formation at the bone-implant interface. Materials and methods: Ninety-six commercially pure titanium (CpTi) screws were implanted in rabbits' tibiae and divided into three groups as dual-threaded group, flaxseed-coated group and control group. All groups were evaluated mechanically, histologically and radiographically after each healing periods (2, 4, 6 and 8) weeks and the resulting data were statistically analy

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Publication Date
Wed Mar 13 2019
Journal Name
Al-khwarizmi Engineering Journal
Investigation Microwave Furnace Effects on Mechanical Properties and Fatigue Life of AA 7075-T73 with Dry and Acid Treatments
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Microwave heating is caused by the ability of the materials to absorb microwave energy and convert it to heat. The aim of this study is to know the difference that will occur when heat treating the high strength aluminum alloys AA7075-T73 in a microwave furnace within different mediums (dry and acidic solution) at different times (30 and 60) minutes, on mechanical properties and fatigue life. The experimental results of microwave furnace heat energy showed that there were variations in the mechanical properties (ultimate stress, yielding stress, fatigue strength, fatigue life and hardness) with the variation in mediums and duration times when compared with samples without treatment. The ultimate stress, yielding stress and fatigue streng

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Publication Date
Sun Aug 16 2026
Journal Name
Journal Of Esthetic And Restorative Dentistry
Effectiveness of Cellulose Nanofibers Addition to Soft Denture Lining Material on Candida albicans Adherence and Physical and Mechanical Properties
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Purpose: Current denture liner materials suffer from low tear strength, poor abrasion resistance, weak bond strength to denture material, and increasing risk of denture stomatitis due to adherence. The aim of this study was to evaluate the effects of the addition of cellulose nanofibers (CNFs) to commercial soft denture liner material on the adherence of and physical and mechanical properties. Materials and Methods: CNFs at concentrations of 0.0, 0.5, and 1.0 wt.% were incorporated into a soft liner material. Antifungal effects were assessed by quantifying the adherence of . The Shore A hardness, tensile strength, peel bond strength, and surface roughness tests were employed to assess the properties of the denture liner materials. Chemica

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Scopus
Publication Date
Fri Sep 30 2011
Journal Name
Al-khwarizmi Engineering Journal
Coagulation-Flocculation process to treat Pulp and Paper Mill Wastewater by Fenugreek Mucilage Coupled with Alum and Polyaluminum Chloride
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The wastewater arising from pulp and paper mills is highly polluted and has to be treated before discharged into rivers. Coagulation-flocculation process using natural polymers has grown rapidly in wastewater treatment. In this work, the performance of alum and Polyaluminum Chloride (PACl) when used alone and when coupled with Fenugreek mucilage on the treatment of pulp and paper mill wastewater were studied. The experiments were carried out in jar tests with alum, PACl and Fenugreek mucilage dosages range of 50-2000 mg/L, rapid mixing at 200 rpm for 2 min, followed by slow mixing at 40 rpm for 15 min and settling time of 30 min. The effectiveness of Fenugreek mucilage was measured by the reduction of turbidity and Chemical Oxygen Demand

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Publication Date
Wed Jan 01 2020
Journal Name
Materials Research Express
Heavy metal free thermal stabilizing-flame retarding modifier for plasticized poly(vinyl chloride)
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Abstract<p>Our research aimed to find a new material that can be an efficient heavy metal free flame retardant for plasticized poly(vinyl chloride) comparable to the conventional flame retardants. One of these extraordinary materials is Oxydtron using as an admixture for concrete. Oxydtron showed unexpected efficiency as a flame retardant agent and an excellent heat stabilizer as well. Limiting oxygen index (LOI), static heat stability, Congo-red, and differential scanning calorimetry (DSC) were carried out. The thermal tests proved that Oxydtron is suitable to improve plasticized poly(vinyl chloride) performance at high temperatures applications in terms of flame retarding and thermal stability</p> ... Show More
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Publication Date
Thu Oct 15 2026
Journal Name
Sciences Journal Of Physical Education
Using two types of electronic questions by applying the Quiz Creator program in the method of guided discovery and its effect on learning and maintaining a motor chain on the throat
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