Preferred Language
Articles
/
bsj-2615
Comparing Study of The Stability and spectral properties vibrations for some Tellurium (IV) compounds containing cycloctadienyl group by Quantum Mechanical Calculations
...Show More Authors

Density Functional Theory (DFT) with B3LYP hybrid exchange-correlation functional and 3-21G basis set and semi-empirical methods (PM3) were used to calculate the energies (total energy, binding energy (Eb), molecular orbital energy (EHOMO-ELUMO), heat of formation (?Hf)) and vibrational spectra for some Tellurium (IV) compounds containing cycloctadienyl group which can use as ligands with some transition metals or essential metals of periodic table at optimized geometrical structures.

Crossref
View Publication Preview PDF
Quick Preview PDF
Publication Date
Sun Aug 09 2015
Journal Name
No
Stability and Instability of Some Types of Delay Differential Equations
...Show More Authors

Publication Date
Sat Apr 04 2015
Journal Name
International Journal Of Advanced Technology In Engineering And Science
SYNTHESIS OF ZNO QUANTUM DOT BY SELF ASSEMBLY METHOD AND ZNO NANOROD BY HYDROTHERMAL METHOD
...Show More Authors

In this work, ZnO quantum dots (Q.dots) and nanorods were prepared. ZnO quantum dots were prepared by self-assembly method of zinc acetate solution with KOH solution, while ZnO nanorods were prepared by hydrothermal method of zinc nitrate hexahydrate Zn (NO3)2.6H2O with hexamethy lenetetramin (HMT) C6H12N4. The optical , structural and spectroscopic properties of the product quantum dot were studied. The results show the dependence of the optical properties on the crystal dimension and the formation of the trap states in the energy band gap. The deep levels emission was studied for n-ZnO and p-ZnO. The preparation ZnO nanorods show semiconductor behavior of p-type, which is a difficult process by doping because native defects.

Publication Date
Sat Dec 01 2018
Journal Name
Al-khwarizmi Engineering Journal
Mechanical Properties of Burnished Steel AISI 1008
...Show More Authors

Burnishing improves fatigue strength, surface hardness and decrease surface roughness of metal because this process transforms tensile residual stresses into compressive residual stresses. Roller burnishing tool is used in the present work on low carbon steel (AISI 1008) specimens. In this work, different experiments were used to study the influence of feed parameter and speed parameter in burnishing process on fatigue strength, surface roughness and surface hardness of low carbon steel (AISI 1008) specimens. The first parameter used is feed values which were (0.6, 0.8, and 1) mm at constant speed (370) rpm, while the second parameter used is speed at values (540, 800 and 1200) rpm and at constant feed (1) mm. The results of the fatigue

... Show More
View Publication Preview PDF
Crossref (1)
Crossref
Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Mechanical properties of epoxy-polyurethane polymer blends
...Show More Authors

Configured binary polymer blends of epoxy and Polyurethane was chosen varying proportions of these materials led to the production of homogeneous mixtures of Althermust Althermust and descent was poured polyurethane models required in the form of 4 mm thick plates

View Publication Preview PDF
Publication Date
Sun Jun 03 2012
Journal Name
Baghdad Science Journal
Mechanical properties of carrot fiber - epoxy composite
...Show More Authors

Interest has largely centered on the use of plant fibers to reinforce plastics, because these fibers are abundant and cheap. Carrot fibers (Curran) have been extracted from carrot, left over from carrot juice manufacture. The fibers of two sizes fine (50<µm) and coarse (100-150 µm) have been mixed with epoxy in four levels of loading (10, 20, 30, 40 wt %) respectively. Impact test, shore d hardness test and three point bending test of epoxy and carrot fiber-epoxy composites samples have been determined. The impact strength values of samples prepared with fine and coarse fibers increased as compared with pure epoxy sample. Hardness values increased, and the Young’s modulus values decreased with fiber content of both sizes.

View Publication Preview PDF
Crossref
Publication Date
Tue May 01 2018
Journal Name
Thin Solid Films
Thermo-mechanical properties of cubic lanthanide oxides
...Show More Authors

This contribution investigates the effect of the addition of the Hubbard U parameter on the electronic structural and mechanical properties of cubic (C-type) lanthanide sesquioxides (Ln2O3). Calculated Bader's charges confirm the ionic character of Lnsingle bondO bonds in the C-type Ln2O3. Estimated structural parameters (i.e., lattice constants) coincide with analogous experimental values. The calculated band gaps energies at the Ueff of 5 eV for these compounds exhibit a non-metallic character and Ueff of 6.5 eV reproduces the analogous experimental band gap of cerium sesquioxide Ce2O3. We have thoroughly investigated the effect of the O/Ce ratios and the effect of hafnium (Hf) and zirconium (Zr) dopants on the reduction energies of C

... Show More
View Publication
Scopus (14)
Crossref (13)
Scopus Clarivate Crossref
Publication Date
Sun Feb 03 2019
Journal Name
Iraqi Journal Of Physics
Investigation of density and form factor of some F isotopes using Hartree-Fock and shell model calculations
...Show More Authors

Structure of unstable 21,23,25,26F nuclei have been investigated
using Hartree – Fock (HF) and shell model calculations. The ground
state proton, neutron and matter density distributions, root mean
square (rms) radii and neutron skin thickness of these isotopes are
studied. Shell model calculations are performed using SDBA
interaction. In HF method the selected effective nuclear interactions,
namely the Skyrme parameterizations SLy4, Skeσ, SkBsk9 and
Skxs25 are used. Also, the elastic electron scattering form factors of
these isotopes are studied. The calculated form factors in HF
calculations show many diffraction minima in contrary to shell
model, which predicts less diffraction minima. The long tail

... Show More
View Publication Preview PDF
Crossref
Publication Date
Thu Jan 30 2020
Journal Name
Neuroquantology
HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
...Show More Authors

A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolut

... Show More
View Publication Preview PDF
Scopus (59)
Crossref (48)
Scopus Crossref
Publication Date
Fri Jan 19 2018
Journal Name
Journal Of Global Pharma Technology
Synthesis, Characterization and Study of Electrical Properties of Some New Aromatic Polyester
...Show More Authors

This research discloses the synthesis of various polyester resins, the polyesters containing homoring aromatic and others heterocyclic were synthesized by the condensation polymerization of suitable monomers (which are containing variety function groups in different structures) with phthalic anhydride. The main objective is synthesis of new polyester with keeping a reasonable electrical insulating behavior. The structural of polymer was characterized by Fourier Transform infra-red spectroscopy FTIR and HNMR. The dielectric constant (real ε' and imaginary parts ε") and AC conductivity (σAC) for all the polyester samples are studied by varying the frequency (30, 50, 70, 90, 120, 300, 500Hz and 1KHZ) at 25⁰ C. Indeed, study of the electri

... Show More
Publication Date
Sun Jun 01 2014
Journal Name
Baghdad Science Journal
Study the Spectral Properties of Coumarine -47 Dissolved in Chloroform: Rafah Abdul Hadi Omer|Mohammed T. Hussian|Lamia Kand Kalif
...Show More Authors

The spectral propetties (absorption and fluorescence) of Coumarine-47 laser dye have been studied. This type of laser dye belong the Coumarine family and it has dissolved in chloroform at different concentrations (1x10-5, 5x10-5, and 1x10-4 M) at room temperature. The achieved results have been pointed out to increase in the absorption and fluorescence as the concentration increased which are agreements with Beer – Lambert law. These have been also showed an expansion in the spectral range of absorption and fluorescence with a noticed shift in the direction of longer wavelength (Red-shift) with increasing concentration. The quantum efficiency of the dissolved C47 in chloroform has been computed by using the brevious concentrations

... Show More
View Publication
Crossref