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RISS 인기검색어
- 검색키워드
- 저자 : El-Mahallawi Iman S. (검색결과 2 건)
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Ibrahim Almishal Saeed Sameer,Hatem Tarek M.,El-Mahallawi Iman S. 한국물리학회 2022 Current Applied Physics Vol.40 No.-
The demand on new and highly efficient energy conversion systems and many other advanced applications have suggested perovskites to be important future candidate materials. Though a lot of work has been done to understand and model their structure and properties, further investigation is still needed. Consequently, the development and enhancement of computational methods including molecular dynamics and quantum chemical calculations is one of the main issues regarding the understanding and optimization of perovskites. In this work, Coulomb Buckingham interatomic potential function is investigated to analyze the structure of Calcium Titanate CaTiO3 through the application of Molecular Dynamics via LAMMPS open source code. The results are compared with the results of other potential functions representations, namely Vashishta-Rahman (VR) and Lennard-Jones (LJ) potentials. The understanding of the effect of potential representation on structural properties would lead to deduction of mechanical and thermal properties and to building a platform for adapting the different types of oxide perovskites, or even nonorganic halide perovskites, to enhance their technological aspects. The VR interaction potential was previously proven to be the most effective for describing the phase changes of perovskites and to match the experimental observations. It was also proven in previous studies that the radial distribution function (RDF) undergoes essential changes when replacing LJ with VR. According to the findings of this study, Buckingham potential is shown to produce much closer results to VR than LJ of the radial distribution function.
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Structure and thermoelectric behavior of polyaniline-based/ CNT-composite
Abd-Elsalam Ayat,Badr Hussein O.,Abdel-Rehim Ahmed A.,El-Mahallawi Iman S. 한국물리학회 2022 Current Applied Physics Vol.36 No.-
Thermoelectric materials have the capability of harvesting and converting the heat wasted into useful electrical current. Polymer thermoelectric composites have recently received attention and experienced a rapid development because of their low density, versatility, ease of synthesis and processing and low thermal conductivity. Herein, we report on synthesis and characterization of pristine polyaniline and polyaniline/carbon nanotubes network nanocomposite. In the preparation, aniline was polymerized via a facile chemical oxidative polymerization process, in which 30 wt% multiwall carbon nanotubes were in situ incorporated. Both pristine polyaniline and its composite were examined by XRD. For their thermoelectric performance, Seebeck coefficient and electrical conductivity were characterized using a home-built setup operated by keithley Multimeter (Model:2000). The fabricated composite exhibited superior increase in Seebeck coefficient and power factor to reach 141 μV/K and 0.004 μW/mK2, respectively at 95 ◦C. The corresponding I–V curves were further measured. The current was found to increase substantially to reach 2.2 mA at 1 V; almost one order of magnitude higher when compared to that of the pristine polyaniline sample.
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