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Ab initio structural and vibrational properties of GaAs diamondoids and nanocrystals
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Gallium arsenide diamondoids structural and vibrational properties are investigated using density functional theory at the PBE/6-31(d) level and basis including polarization functions. Variation of energy gap as these diamondoids increase in size is seen to follow confinement theory for diamondoids having nearly equiaxed dimensions. Density of energy states transforms from nearly single levels to band structure as we reach larger diamondoids. Bonds of surface hydrogen with As atoms are relatively localized and shorter than that bonded to Ga atoms. Ga-As bonds have a distribution range of values due to surface reconstruction and effect of bonding to hydrogen atoms. Experimental bulk Ga-As bond length (2.45 Å) is within this distribution range. Tetrahedral and dihedral angles approach values of bulk as we go to higher diamondoids. Optical-phonon energy of larger diamondoids stabilizes at 0.037 eV (297 cm-1) compared to experimental 0.035 eV (285.2 cm-1). Ga-As force constant reaches 1.7 mDyne/Å which is comparable to Ga-Ge force constant (1.74 mDyne/Å). Hydrogen related vibrations are nearly constant and serve as a fingerprint of GaAs diamondoids while Ga-As vibrations vary with size of diamondoids.

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Publication Date
Tue Aug 01 2017
Journal Name
Journal Of Multidisciplinary Engineering Science And Technology (jmest)
Study The Influence Of Sn Dopant On The Surface Topography And Some Physical Properties Of CdSe Films Prepared By Evaporation Technique
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Publication Date
Mon Nov 18 2024
Journal Name
Molecular Crystals And Liquid Crystals
Synthesis and liquid crystal properties of a new class of calamitic mesogens based on twin 1,3,4-thiadiazole derivatives with imine linkage
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Publication Date
Wed Sep 15 2021
Journal Name
Journal Of Baghdad College Of Dentistry
The effect of contact time between alginate impression material and type III dental stone on the surface properties of stone casts
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Background: Alginate impression material is the irreversible hydrocolloid material that is widely used in dentistry. The contact time between alginate and gypsum cast could have a detrimental effect on the properties of the gypsum cast. The objective of this study is to evaluate the impact of various contact time intervals of Alginate impressions & type III dental stone on surface properties of stone cast. Materials and Methods: Time intervals tested were 1hour, 6 hours and 9 hours. Surface properties of stone cast evaluated were surface detail reproduction, hardness and roughness. Surface detail reproduction was determined using cylindrical brass test block in accordance with ISO 1563. Surface roughness was measured by profilometer

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Publication Date
Wed Jul 01 2026
Journal Name
Iraqi Journal Of Applied Physics
Influence of Lithium Salts on Optical Properties, FTIR Analysis, and AC Conductivity of PVP/PVA Blends for Solid Polymer Electrolyte Applications
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Blends of polyvinyl pyrrolidone (PVP) and polyvinyl alcohol (PVA) in equal weight ratios (50 wt.% PVP + 50 wt.% PVA) were doped with 15% of various lithium salts (Li2CO3, LiNO3, Li2SO4H2O, and LiCl) and prepared using the solution-casting method, with dimethylformamide (DMF) as the solvent. The impact of these salts on the blends was analyzed and the results showed that the energy gap was decreased by adding lithium salts Li2CO3, LiNO3 and Li2SO4.H₂O. The minimum energy gap value was 3.5 eV obtained from PVP/PVA:15% Li2CO3. The optical constants were determined in the range of 300-1100 nm. The results showed that all the optical constants for doped blends were grown with the addition of lithium salts. The FTIR study confirms the c

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Publication Date
Sun Feb 10 2019
Journal Name
Journal Of The College Of Education For Women
The Properties of Thermal Waves Affecting Iraq
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This research aims at studying each of the cold and hot thermal wavelengths affecting
Iraq for a minimum climatic course of 11 years beginning from 1992 till 2002. Three stations
were selected including the parts of Iraq surface: Mosul, Baghdad and Basrah.
The wave days were also connected with the related climatic elements represented by
the wind direction and speeds and the relative humidity. It was shown that Iraq is affected by
the rates of hot thermal wave lengths greatly compared to the rates of cold wavelengths. The
results suggested that the highest rate of hot and cold wavelengths recorded over Basra station
was (3.5) days for the cold and (5) days for the hot. While the lowest rates was at Mosul
station

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Publication Date
Mon Apr 01 2002
Journal Name
Renewable Energy
The optoelectronic properties of CdSe:Cu photoconductive detector
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Publication Date
Tue May 01 2018
Journal Name
Thin Solid Films
Thermo-mechanical properties of cubic lanthanide oxides
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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

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Mechanical properties of epoxy-polyurethane polymer blends
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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

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Publication Date
Sun Jan 01 2023
Journal Name
International Conference Of Computational Methods In Sciences And Engineering Iccmse 2021
Some new properties of soft Lc-spaces
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Publication Date
Sun Jun 02 2019
Journal Name
Baghdad Science Journal
Properties of a Complete Fuzzy Normed Algebra
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          The aim of this paper is to translate the basic properties of the classical complete normed algebra to the complete fuzzy normed algebra at this end a proof of multiplication fuzzy continuous is given. Also a proof of every fuzzy normed algebra  without identity can be embedded into fuzzy normed algebra  with identity  and  is an ideal in  is given. Moreover the proof of the resolvent set of a non zero element in complete fuzzy normed space is equal to the set of complex numbers is given. Finally basic properties of the resolvent space of a complete fuzzy normed algebra is given.

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