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.
Background: The most common reason for re-making a maxillofacial prosthesis is the degradation of the mechanical properties of the silicone. Aim of this study: To assess some mechanical properties of VST-50F maxillofacial silicone reinforced with a composite of silicon dioxide nanoparticle and polyamide-6 microparticle before and after artificial aging. Material and Method: Preparing 240 samples tested for tear strength, tensile strength and elongation percentage, hardness, and roughness before and after aging. The Silicon dioxide was added in concentrations of 1% by weight and Polyamide-6 in the concentration of 0.25% and 0.5% by weight to the VST-50F RTV maxillofacial silicone. The one-way ANOVA and post hoc tests were used for inferentia
... Show MoreThe polymers modified Poly(vinyl chloride) differ in their tendency to photo oxidation comparing with that unmodified. It has been studied Photostability for modified Poly(vinyl chloride) chains using Schiff’s bases derivative of (5-amino-1, 3, 4-thiadiazole-2-thiol) in a manner casting of plastic chips with thickness (40) in a solvent Tetrahydrofuran. It has been determined the effectiveness Photostability of these modified polymers through the photo degradation rate constant for photostabilizer (kd) for the modified Poly (vinyl chloride). Attributed efficiency of these Poly(vinyl chloride) chips in Photostability by replace the atom Cl Poly(vinyl chloride) chains ends more stable than light stabilizer.
سمير خلف فياض * و محسن طالب د.نوال عزت عبد اللطيف*, مجلة الهندسة والتكنولوجيا, 2010
The semiempirical (PM3) and DFT quantum mechanical methods were used to investigate the theoretical degradation of Indigo dye. The chemical reactivity of the Indigo dye was evaluated by comparing the potential energy stability of the mean bonds. Seven transition states were suggested and studied to estimate the actually starting step of the degradation reaction. The bond length and bond angle calculations indicate that the best active site in the Indigo dye molecule is at C10=C11. The most possible transition states are examined for all suggested paths of Indigo dye degradation predicated on zero-point energy and imaginary frequency. The first starting step of the reaction mechanism is proposed. The change in enthalpy, Gibbs free energ
... Show Morecapable of the measuring with a high degree of precision in a single instrument. Total stations device are used for station setting up, setting-outmany points from one station. Their major purpose of this work is to take advantage of total station for setting up building and to establish 3D representation using AutoCAD program. The area of the study was Civil Engineering Department at Baghdad University campus AL Jadiriyah. The completion of the work is done in two stages; 1. The field work: In this stage, the Total Station Nikon Nivo-5C was selected for the current study. This device was measured horizontal and vertical distance, elevations, and coordinates from a single set up. This data directly stored on memory. 2. The office work: In t
... Show MoreIn the present paper, three reliable iterative methods are given and implemented to solve the 1D, 2D and 3D Fisher’s equation. Daftardar-Jafari method (DJM), Temimi-Ansari method (TAM) and Banach contraction method (BCM) are applied to get the exact and numerical solutions for Fisher's equations. The reliable iterative methods are characterized by many advantages, such as being free of derivatives, overcoming the difficulty arising when calculating the Adomian polynomial boundaries to deal with nonlinear terms in the Adomian decomposition method (ADM), does not request to calculate Lagrange multiplier as in the Variational iteration method (VIM) and there is no need to create a homotopy like in the Homotopy perturbation method (H
... Show MoreThe need for participants’ performance assessments in academia and industry has been a growing concern. It has attendance, among other metrics, is a key factor in engendering a holistic approach to decision-making. For institutions or organizations where managing people is an important yet challenging task, attendance tracking and management could be employed to improve this seemingly time-consuming process while keeping an accurate attendance record. The manual/quasi-analog approach of taking attendance in some institutions could be unreliable and inefficient, leading to inaccurate computation of attendance rates and data loss. This work, therefore, proposes a system that employs embedded technology and a biometric/ w
... Show MoreThe aim of the current research is to know the degree to which middle school teachers and female teachers in the southern border schools use electronic educational alternatives in the field of education from their point of view and its relationship to some variables, and to achieve this goal, a random sample of (200) teachers was selected in southern border schools, and a questionnaire was prepared to collect The data, as well as the descriptive approach was used to achieve this goal. T-test and analysis of variance were used for the statistical treatment. The results concluded that the educational courses provided to male and female teachers are not sufficient. It has also been concluded that the use of electronic educational alternativ
... Show Morepriorities of materials research due to their promising properties, especially in the field of thermoelectricity. The efficiency or performance of thermoelectric devices is expressed in terms of the thermoelectric figure-of-merit (ZT) – a standard indicator of a material’s thermoelectric properties for use in cooling systems. The evaluation of ZT is principally determined by the thermoelectric characteristics of the nanomaterials. In this paper, a set of investigative computations was performed to study the thermoelectric properties of monolayer TMDCs according to the semiclassical treatment of the Boltzmann transport equation. It was confirmed that the thermoelectric properties of 2D materials can be greatly improved compared with thei
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