• Title/Summary/Keyword: Electronic equilibrium

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First-principles Calculations of the Phonon Transport in Carbon Atomic Chains Based on Atomistic Green's Function Formalism

  • Kim, Hu Sung;Park, Min Kyu;Kim, Yong-Hoon
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.425.1-425.1
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    • 2014
  • Thermal transport in nanomaterials is not only scientifically interesting but also technological important for various future electronic, bio, and energy device applications. Among the various computation approaches to investigate lattice thermal transport phenomena in nanoscale, the atomistic nonequilibrium Green's function approach based on first-principles density functional theory calculations appeared as a promising method given the continued miniaturization of devices and the difficulty of developing classical force constants for novel nanoscale interfaces. Among the nanometerials, carbon atomic chains, namely the cumulene (all-doulble bonds, ${\cdots}C=C=C=C{\cdots}$) and polyyne (alternation of single and triple bonds, ${\cdots}C{\equiv}C-C{\equiv}C{\cdots}$) can be considered as the extream cases of interconnction materials for nanodevices. After the discovery and realization of carbon atomic chains, their electronic transport properties have been widely studied. For the thermal transport properties, however, there have been few literatures for this simple linear chain system. In this work, we first report on the development of a non-equilibrium Green's function theory-based computational tool for atomistic thermal transport calculations of nanojunctions. Using the developed tool, we investigated phonon dispersion and transmission properties of polyethylene (${\cdots}CH2-CH2-CH2-CH2{\cdots}$) and polyene (${\cdots}CH-CH-CH-CH{\cdots}$) structures as well as the cumulene and polyyne. The resulting phonon dispersion from polyethylene and polyene showed agreement with previous results. Compared to the cumulene, the gap was found near the ${\Gamma}$ point of the phonon dispersion of polyyne as the prediction of Peierls distortion, and this feature was reflected in the phonon transmission of polyyne. We also investigated the range of interatomic force interactions with increase in the size of the simulation system to check the convergence criteria. Compared to polyethylene and polyene, polyyne and cumulene showed spatially long-ranged force interactions. This is reflected on the differences in phonon transport caused by the delicate differences in electronic structure.

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Electronic properties of graphene nanoribbons with Stone-Wales defects using the tight-binding method

  • M.W. Chuan;S.Z. Lok;A. Hamzah;N.E. Alias;S. Mohamed Sultan;C.S. Lim;M.L.P Tan
    • Advances in nano research
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    • v.14 no.1
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    • pp.1-15
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    • 2023
  • Driven by the scaling down of transistor node technology, graphene became of interest to many researchers following the success of its fabrication as graphene nanoribbons (GNRs). However, during the fabrication of GNRs, it is not uncommon to have defects within the GNR structures. Scaling down node technology also changes the modelling approach from the classical Boltzmann transport equation to the quantum transport theory because the quantum confinement effects become significant at sub-10 nanometer dimensions. The aim of this study is to examine the effect of Stone-Wales defects on the electronic properties of GNRs using a tight-binding model, based on Non-Equilibrium Green's Function (NEGF) via numeric computation methods using MATLAB. Armchair and zigzag edge defects are also implemented in the GNR structures to mimic the practical fabrication process. Electronic properties of pristine and defected GNRs of various lengths and widths were computed, including their band structure and density of states (DOS). The results show that Stone-Wales defects cause fluctuation in the band structure and increase the bandgap values for both armchair GNRs (AGNRs) and zigzag GNRs (ZGNRs) at every simulated width. In addition, Stone-Wales defects reduce the numerical computation DOS for both AGNRs and ZGNRs. However, when the lengths of the structures increase with fixed widths, the effect of the Stone-Wales defects become less significant.

The Synchronous Control System Design of a Movable Weir using Coupling Structure (커플링구조를 이용한 가동위어의 동기제어시스템 설계)

  • Yang, Kyong-Uk;Byun, Jung-Hwan
    • The Journal of the Korea institute of electronic communication sciences
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    • v.12 no.5
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    • pp.837-844
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    • 2017
  • The weir to regulate water level in a tide generation tank is above and below carried by two electric cylinders which are mounted on right and left of weir itself. In this case, a movement difference between right and left cylinder causes unbalance of weir and friction between weir and guide. And then, the weir will not be sent to target point. In this study, a synchronous control system is developed to take accurate and quick equilibrium of the weir. The control system based on cross coupled structure consists of two I-PD controllers and a lead compensator. Each of the I-PD controllers is designed in order that the electric cylinder may exactly follow the reference signal without overshoot and input saturation. And the lead compensator is designed to achieve stable and accurate synchronization. Finally, the simulation result shows that the designed synchronous control system is effective for elimination of synchronous error.

Removal of Fluoride Ions from Electronic Industrial Wastewater Using Lime Stone Slurry (초미분말 석회석 현탁액을 이용한 전자산업 폐수 불소이온 제거연구)

  • Park, Hyeon Soo;Park, Yeon Soo;Jung, Goo Ill;Kim, Jae Woo;Jo, Young Min
    • Applied Chemistry for Engineering
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    • v.29 no.3
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    • pp.258-263
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    • 2018
  • This study attempted to utilize ultrafine precipitated calcium carbonate for fluoride removal from the wastewater of electronics industries. An average particle size of the calcium carbonate was $0.96{\mu}m$, and pH of the aqueous slurry was 10 with 70% in mass. The suspension solution showed approximately 2 mL/hr of the sedimentation rate. The present calcium carbonate solution could be comparable to the conventional aqueous calcium source, $Ca(OH)_2$, for the neutralization and removal of fluoride ions. Depending on the amount of an additional alkali source, less amounts of test Ca-source slurries were required to reach the solution pH of 7.0 than that of using the aqueous calcium hydroxide. It was also found from XRD analysis that more calcium fluoride precipitates were formed by the addition of calcium carbonate solution rather than that of calcium hydroxide. In addition, Minteq equilibrium modelling estimated various ion complexes of fluoride and calcium in this process.

A Study on the Heat Radiation of LED Luminaires and the Indoor Temperature Increase (LED 등기구의 발열과 실내온도 상승에 관한 연구)

  • Kim, Dong-Geon;Kil, Gyung-Suk
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.25 no.9
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    • pp.738-742
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    • 2012
  • This paper conducted a study on how the heat radiation of light emitting diode(LED) luminaires affects the indoor temperature increase. The effect was compared with that of a 20 W compact fluorescent lamp(CFL) and a 50 W MR16 halogen lamp which are most widely used inside of cruises, a LED downlight and a 4W MR16 LED replacing each of them. We installed a luminarie inside a thermally shielded chamber, measuring the temperature changes under the same volume every 5 minutes and compared the result with theoretically calculated heat radiation. The temperature changes in the chamber was measured four times, on seven hours' period in order to keep sufficient time once the temperature reaches the thermal equilibrium state. The results showed that the temperature of the 20 W E26 CFL and the 10 W LED downlight increased by $21.1^{\circ}C$ and $10.4^{\circ}C$ respectively, while that of the 50 W halogen MR16 and the 4 W LED MR16 increased by $33.9^{\circ}C$ and $4.8^{\circ}C$ respectively. The experimental heat radiation were calculated from the results and the experimental heat radiation of the CFL and the LED downlight were 171.5 cal and 86.5 cal, and those of the halogen MR16 and the LED MR16 were 275.3 cal and 36.5 cal. Therefore, the heat radiation was reduced by 49.5% and 86.7%, respectively, by replacing conventional light source with LED. In conclusion, we can expect a reduction of power consumption in air condition system and the effect on indoor temperature increase by application of LED luminaires.

Game Theoretic Analysis for RFID Reader Collision (RFID 리더 주파수 간섭에 대한 게임 이론 관점에서의 해석)

  • Lee, Dong-Yul;Lee, Chae-Woo
    • Journal of the Institute of Electronics Engineers of Korea TC
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    • v.46 no.5
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    • pp.36-47
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    • 2009
  • There exists RFID reader-to reader frequency which can not recognize tag in dense reader nude because the interference causes low SIR. To solve this frequency, the many algorithms based on TDM have been proposed. But the most of existing algorithms not obtain the optimal time allocation but propose heuristic scheduling algorithm. In this paper, we apply game theory which deals with interest between players of game to RFID reader-to reader interference and analyze the time allocation problem of reader based on TDM in terms of cooperative game which the players bind agreements using Nash Bargaining Solution(NBS) and non-cooperative game which the players do not bind agreements using Nash Equilibrium(NE). The applied results show that in dense reader mode, NBS of cooperative game is superior to NE of non-cooperative game and present optimal time allocation in dense reader mode.

Electron Trapping and Transport in Poly(tetraphenyl)silole Siloxane of Quantum Well Structure

  • Choi, Jin-Kyu;Jang, Seung-Hyun;Kim, Ki-Jeong;Sohn, Hong-Lae;Jeong, Hyun-Dam
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.02a
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    • pp.158-158
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    • 2012
  • A new kind of organic-inorganic hybrid polymer, poly(tetraphenyl)silole siloxane (PSS), was invented and synthesized for realization of its unique charge trap properties. The organic portions consisting of (tetraphenyl)silole rings are responsible for electron trapping owing to their low-lying LUMO, while the Si-O-Si inorganic linkages of high HOMO-LUMO gap provide the intrachain energy barrier for controlling electron transport. Such an alternation of the organic and inorganic moieties in a polymer may give an interesting quantum well electronic structure in a molecule. The PSS thin film was fabricated by spin-coating of the PSS solution in THF organic solvent onto Si-wafer substrates and curing. The electron trapping of the PSS thin films was confirmed by the capacitance-voltage (C-V) measurements performed within the metal-insulator-semiconductor (MIS) device structure. And the quantum well electronic structure of the PSS thin film, which was thought to be the origin of the electron trapping, was investigated by a combination of theoretical and experimental methods: density functional theory (DFT) calculations in Gaussian03 package and spectroscopic techniques such as near edge X-ray absorption fine structure spectroscopy (NEXAFS) and photoemission spectroscopy (PES). The electron trapping properties of the PSS thin film of quantum well structure are closely related to intra- and inter-polymer chain electron transports. Among them, the intra-chain electron transport was theoretically studied using the Atomistix Toolkit (ATK) software based on the non-equilibrium Green's function (NEGF) method in conjunction with the DFT.

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Process Modeling and Optimization Studies in Drying of Current Transformers

  • Bhattacharya, Subhendu;D'Melo, Dawid;Chaudhari, Lokesh;Sharma, Ram Avatar;Swain, Sarojini
    • Transactions on Electrical and Electronic Materials
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    • v.13 no.6
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    • pp.273-277
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    • 2012
  • The vacuum drying process for drying of paper in current transformers was modeled with an aim to develop an understanding of the drying mechanism involved and also to predict the water collection rates. A molecular as well as macroscopic approach was adopted for the prediction of drying rate. Ficks law of diffusion was adopted for the prediction of drying rates at macroscopic levels. A steady state and dynamic mass transfer simulation was performed. The bulk diffusion coefficient was calculated using weight loss experiments. The accuracy of the solution was a strong function of the relation developed to determine the equilibrium moisture content. The actually observed diffusion constant was also important to predict the plant water removal rate. Thermo gravimetric studies helped in calculating the diffusion constant. In addition, simulation studies revealed the formation of perpetual moisture traps (loops) inside the CT. These loops can only be broken by changing the temperature or pressure of the system. The change in temperature or pressure changes the kinetic or potential energy of the effusing vapor resulting in breaking of the loop. The cycle was developed based on this mechanism. Additionally, simulation studies also revealed that the actual mechanism of moisture diffusion in CT's is by surface jumps initiated by surface diffusion balanced against the surrounding pressure. Every subsequent step in the cycle was to break such loops. The effect of change in drying time on the electrical properties of the insulation was also assessed. The measurement of capacitance at the rated voltage and one third of the rated voltage demonstrated that the capacitance change is within the acceptance limit. Hence, the new cycle does not affect the electrical performance of the CT.

Game Theory Based Coevolutionary Algorithm: A New Computational Coevolutionary Approach

  • Sim, Kwee-Bo;Lee, Dong-Wook;Kim, Ji-Yoon
    • International Journal of Control, Automation, and Systems
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    • v.2 no.4
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    • pp.463-474
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    • 2004
  • Game theory is a method of mathematical analysis developed to study the decision making process. In 1928, Von Neumann mathematically proved that every two-person, zero-sum game with many pure finite strategies for each player is deterministic. In the early 50's, Nash presented another concept as the basis for a generalization of Von Neumann's theorem. Another central achievement of game theory is the introduction of evolutionary game theory, by which agents can play optimal strategies in the absence of rationality. Through the process of Darwinian selection, a population of agents can evolve to an Evolutionary Stable Strategy (ESS) as introduced by Maynard Smith in 1982. Keeping pace with these game theoretical studies, the first computer simulation of coevolution was tried out by Hillis. Moreover, Kauffman proposed the NK model to analyze coevolutionary dynamics between different species. He showed how coevolutionary phenomenon reaches static states and that these states are either Nash equilibrium or ESS in game theory. Since studies concerning coevolutionary phenomenon were initiated, there have been numerous other researchers who have developed coevolutionary algorithms. In this paper we propose a new coevolutionary algorithm named Game theory based Coevolutionary Algorithm (GCEA) and we confirm that this algorithm can be a solution of evolutionary problems by searching the ESS. To evaluate this newly designed approach, we solve several test Multiobjective Optimization Problems (MOPs). From the results of these evaluations, we confirm that evolutionary game can be embodied by the coevolutionary algorithm and analyze the optimization performance of our algorithm by comparing the performance of our algorithm with that of other evolutionary optimization algorithms.

Constant Correlation Factors between Temkin and Langmuir or Frumkin Adsorption Isotherms at Poly-Pt, Re, and Ni/Aqueous Electrolyte Interfaces

  • Chun Jang H.;Jeon Sang K.;Chun Jin Y.
    • Journal of the Korean Electrochemical Society
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    • v.7 no.4
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    • pp.194-200
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    • 2004
  • The constant correlation factors between the Temkin and the Langmuir or the Frumkin adsorption isotherms of over-potentially deposited hydrogen (OPD H) for the cathodic H2 evolution reaction (HER) at poly-Pt and Re/0.5M $H_2SO_4$ and poly-Ni/0.05 M KOH aqueous electrolyte interfaces have been experimentally and consistently found using the phase-shift method. At intermediate values of the fractional surface coverage $(\theta),\;i.e.,\;02<{\theta}<0.8$, the Langmuir and Temkin adsorption isotherms of OPD H for the cathodic HER are correlated to each other even though the adsorption conditions or processes are different from each other. At the same range of $\theta$, correspondingly, the Frumkin and Temkin adsorption isotherms of OPD H for the cathodic HER are correlated to each other. The equilibrium constants $(K_o)$ for the Temkin adsorption isotherms $({\theta}\;vs.\; E)$ are consistently ca. 10 times greater than those (K, Ko) for the corresponding Langmuir or Frumkin adsorption isotherms ($({\theta}\;vs.\; E)$. The interaction parameters (g) for the Temkin adsorption isotherms $({\theta}\;vs.\; E)$ are consistently ra. 4.6 greater than those (g) for the corresponding Langmuir or Frumkin adsorption isotherms $({\theta}\;vs.\; E)$. These numbers (10 times and 4.6) can be taken as constant correlation factors between the corresponding adsolftion isotherms (Temkin, Langmuir, Frumkin) at the interfaces. The Temkin adsorption isotherm corresponding to the Langmuir or the Frumkin adsorption isotherm, and vice versa, can be effectively verified or confirmed using the constant correlation factors. Both the phase-shift methodand constant correlation factors are useful and effective for determining or confirming the suitable adsorption isotherms (Temkin, Langmuir, Frumkin) of intermediates for sequential reactions in electrochemical systems.