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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

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
Thu Dec 01 2011
Journal Name
Journal Of Engineering
EFFECT OF TOOL SHOULDER DIAMETER ON THE MECHANICAL PROPERTIES OF 1200 ALUMINUM FRICTION STIR SPOT WELDING

A friction stir spot welding (FSSW) process is an emerging solid state joining process in which the material that is being welded does not melt. In this investigation an attempt has been made to understand the effect of tool shoulder diameter on the mechanical properties of the joint. For this purpose four welding tools diameter (10,13, 16 and 19) mm at constant preheating time and plunging time were used to carry
out welding process. Effect of tool diameter on mechanical properties of welded joints was investigated using shear stress test and Microhardness of joint which welded was studied. Based on the stir welding experiments conducted in this study the results show that aluminum alloy (1200) can be welded using (FSSW) process with

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Publication Date
Fri Jun 01 2018
Journal Name
Journal Of Taibah University Medical Sciences
Effect of nano-titanium oxide addition on some mechanical properties of silicone elastomers for maxillofacial prostheses

Objective This study evaluated the effects of adding titanium oxide (TiO2) nanofillers on the tear strength, tensile strength, elongation percentage, and hardness of room-temperature-vulcanized (RTV) VST50F and high-temperature-vulcanized (HTV) Cosmesil M511 maxillofacial silicone elastomers. Methods Two types of maxillofacial elastomers, VST50F RTV and Cosmesil M511 HTV, were used. Nano-TiO2 powder was applied as a nanofiller. A total of 120 specimens were fabricated, 60 each of VST50F and Cosmesil M511. The specimens of each type of elastomer were divided into three equal groups on which tests were conducted for tear strength, tensile strength, and hardness i.e., 20 specimens were used for each test. Each group of 20 specimens was further

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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of Engineering
Gas Adsorption and Storage at Metal-Organic Frameworks

Dry gas is considered one of the most environmentally friendly sources of energy. As a result, developing an efficient strategy for storing this gas has become essential. In this work, MOF-199 was synthesized and characterized in order to investigate the MOF-199 in dry gas adsorption using a built-in volumetric system (methane, ethane, and propane from Basrah gas company). The MOF-199 (metal organic framework) was synthesized using the solvothermal method at 373K for 24h, and then it was characterized. The dry gas adsorption on MOF-199 was studied under various conditions (adsorbent dosage, contact time, temperature, and pressure). The isothermal adsorption of the dry gas had been studied on MOF-199 using two types of mo

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Publication Date
Wed Nov 02 2016
Journal Name
World Journal Of Pharmaceutical Research
HISTOGENESIS AND HISTOMORPHOMETRIC STUDY ON KIDNEY DISORDER BY LAMOTRIGINE IN POSTNATAL RAT

Background: Lamotrigine is a second generation Anti-epileptic drug; it is widely used for the treatment of epilepsy and bipolar disorder. Sufficient data is not available concerning its teratogenicity. Aim of the study: The study has been carried out to evaluate the effect of lamotrigine on Rat kidney development. Materials and Methods: The study was conducted on 10 pregnant Albino Rats (Rattus rattus) divided equally into two groups, control and experiment groups. Experiment group received lamotrigne 10mg/kg/day orally using naso-gastric tube from the first day of gestation until the first week after birth, while the control group received distilled water. Newborn kidneys were collected at day 7 postnatal and fixated in bouin’s solution,

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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of The Mechanical Behavior Of Materials
Concrete strength development by using magnetized water in normal and self-compacted concrete
Abstract<p>The main objective of this work was to adopt an environmentally friendly technology with enhanced results. The technology of magnetic water (MW) treatment system can be used in concrete mixture production instead of potable water (PW) to improve both workability and strength. Two types of concrete were adopted: normal concreter production with two grades 25 and 35 MPa and the self-compacted concrete (SCC) with 35 MPa grade. The concrete mixes containing MW instead of PW results showed that, for 25 MPa grade, an improvement in a compressive strength of 15.1, 14.8, and 10.2% was achieved for 7, 28, and 90 days, respectively. For 35 MPa grade, an improvement of 13.6, 11.5, and </p> ... Show More
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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of The Mechanical Behavior Of Materials
Concrete strength development by using magnetized water in normal and self-compacted concrete
Abstract<p>The main objective of this work was to adopt an environmentally friendly technology with enhanced results. The technology of magnetic water (MW) treatment system can be used in concrete mixture production instead of potable water (PW) to improve both workability and strength. Two types of concrete were adopted: normal concreter production with two grades 25 and 35 MPa and the self-compacted concrete (SCC) with 35 MPa grade. The concrete mixes containing MW instead of PW results showed that, for 25 MPa grade, an improvement in a compressive strength of 15.1, 14.8, and 10.2% was achieved for 7, 28, and 90 days, respectively. For 35 MPa grade, an improvement of 13.6, 11.5, and </p> ... Show More
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Publication Date
Sun Jan 01 2023
Journal Name
Second International Conference On Innovations In Software Architecture And Computational Systems (isacs 2022)
Structural flexibility and its impact on contemporary architecture

. The concepts of structural flexibility became one of the important goals in the design phases to reach high performance in architecture. The pioneering projects and ideas that linked architecture with technologies and scientific innovations appeared, with the aim of reaching projects that mix the concepts of flexibility with the development of machine thought and modern technology to meet the functional, environmental, and aesthetic requirements for human wellbeing. The aim of this paper is to identify the mechanisms used in order to reach flexible structural systems capable of accommodating technological changes and developments. The research hypothesizes that the structural design according to the concepts of flexibility achieves high s

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Publication Date
Sun Feb 10 2019
Journal Name
Journal Of The College Of Education For Women
Narrative Structures in Abu AL– Hassan AL- Shushtary Poetry

The Al-Shishtary is considered one of the well-known Andalus poets. His poetry represents a flood of kind emotions, springs from the sincere sources of Divine Love, and this is what we felt in his life and his literary prestige. He was a poet who was familiar withthe art of his timeknowsthe oldand popularintellectual assets ofIslamicSciencesof Sharee'a. This wide culture, which he had, is available to him through his many travels between the coasts of Syria, Egypt and others ... to become Imam of the religion way known as(Al-Shishtariyah)resonatedin the hearts ofthe general publicespecially the poor people. This showshis smoothand influential styleand his humanitarian andsimple words which resonate in the hearts of his followers, therefo

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Publication Date
Wed Aug 28 2019
Journal Name
Revista Aus
Synthesis and Identification of New Derivative of L-ascorbic Acid with Glycine and Some Metal Complexes

The reaction of starting materials (L-asCl2):bis[O,O-2,3;O,O-5,6-(chloro(carboxylic) methylidene)]- -L-ascorbic acid] with glycine gives new product bis[O,O-2,3,O,O-5,6-(N,O-di carboxylic methylidene N-glycine)-L-ascorbic acid] (L-as-gly) which is isolated and characterized by, Mass spectrum UV-visible and Fourier transform infrared spectrophotometer (FT-IR) . The reaction of the (L-as-gly) with M+2; Co(II) Ni(II) Cu(II) and Zn(II) has been characterized by FT- IR , Uv-Visible , electrical conductivity, magnetic susceptibility methods and atomic absorption and molar ratio . The analysis showed that the ligand coordinate with metal ions through mono dentate carboxylic resulting in six-coordinated with Co(II) Ni(II) Cu(II) ions while with

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Publication Date
Wed Jan 06 2016
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis, Characterization And Biological Evaluation of Schiff Base And Ligand Metal Complexes of Some Drug Substances

Synthesis, Characterization And Biological Evaluation of Schiff Base And Ligand Metal Complexes of Some Drug Substances