• ETRI Journal
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• 제21권4호
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• pp.65-82
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• 1999

We present a calculation model for an improved quantitative theoretical analysis of electronic and optical properties of strained-piezoelectric[111] InGaAs/GaAs superlattices (SLs). The model includes a full band-coupling between the four important energy bands: conduction, heavy, light, and spin split-off valence bands. The interactions between these and higher lying bands are treated by the k ${\cdot}$ p perturbation method. The model takes into account the differences in the band and strain parameters of constituent materials of the heterostructures by transforming it into an SL potential in the larger band-gap material region. It self-consistently solves an $8{\times}8$ effective-mass $Schr{\ddot{o}}dinger$ equation and the Hartree and exchange-correlation potential equations through the variational procedure proposed recently by the present first author and applied to calculate optical matrix elements and spontaneous emission rates. The model can be used to further elucidate the recent theoretical results and experimental observations of interesting properties of this type of quantum well and SL structures, including screening of piezoelectric field and its resultant optical nonlinearities for use in optoelectronic devices.

• Bulletin of the Korean Chemical Society
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• 제31권9호
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• pp.2588-2592
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• 2010

The potential energy surfaces (PESs) for the primary and secondary dissociations of the phenylarsane molecular ion (1a) were determined from the quantum chemical calculations using the G3(MP2)//B3LYP method. Several pathways for the loss of $H{\cdot}$ were determined and occurred though rearrangements as well as through direct bond cleavages. The kinetic analysis based on the PES for the primary dissociation showed that the loss of $H_2$ was more favored than the loss of $H{\cdot}$, but the $H{\cdot}$. loss competed with the $H_2$ loss at high energies. The bicyclic isomer, 7-arsa-norcaradiene radical cation, was formed through the 1,2 shift of an $\alpha$-H of 1a and played an important role as an intermediate for the further rearrangements in the loss of $H{\cdot}$ and the losses of $As{\cdot}$ and AsH. The reaction pathways for the formation of the major products in the secondary dissociations of $[M-H]^+$ and $[M-H_2]^{+\cdot}$. were examined. The theoretical prediction explained the previous experimental results for the dissociation at high energies but not the dissociation at low energies.

• Environmental Engineering Research
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• 제25권3호
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• pp.267-273
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• 2020

This Hydrokinetic energy system is the process of extracting energy from rivers, canals and others sources to generate small scale electrical energy for decentralized usage. This study investigates the application of Soil and Water Assessment Tool (SWAT) in Geographical Information System (GIS) environment to evaluate the theoretical hydrokinetic energy potentials of selected Rivers (Asa, Awun and Oyun) all in Asa watershed, Kwara state, Nigeria. SWAT was interfaced with an open source GIS system to predict the flow and other hydrological parameters of the sub-basins. The model was calibrated and validated using observed stream flow data. Calibrated flow results were used in conjunction with other parameters to compute the theoretical hydrokinetic energy potentials of the Rivers. Results showed a good correlation between the observed flow and the simulated flow, indicated by ash Sutcliffe Efficiency (NSE) and R² of 0.76 and 0.85, respectively for calibration period, and NSE and R² of 0.70 and 0.74, respectively for the validation period. Also, it was observed that highest potential of 154.82 MW was obtained along River Awun while the lowest potential of 41.63 MW was obtained along River Asa. The energy potentials obtained could be harnessed and deployed to the communities around the watershed for their energy needs.

• Bulletin of the Korean Chemical Society
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• 제33권6호
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• pp.1998-2004
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• 2012

We carried out DFT calculations for monohydrated sulfuric and phosphoric acids. We are interested in clusters which differ in orientation of hydrogen atoms only. Such molecular complexes are close in energy, since they lie in the vicinity of the global minimum energy structure on the flat potential energy surface. For monohydrated sulfuric acid we identified four different isomers. The monohydrated phosphoric acid forms five different conformers. These systems are difficult to study from the theoretical point of view, since binding energy differences in several cases are very small. For each structure, we calculated harmonic vibrational frequencies to be sure that if the optimized structures are at the local or global minima on the potential energy surface. The analysis of calculated -OH vibrational frequencies is useful in interpretation of infrared photodissociation spectroscopy experiments. We employed four different DFT functionals in our calculations. For each structure, we calculated binding energies, thermodynamic properties, and harmonic vibrational frequencies. Our analysis clearly shows that DFT approach is suitable for studying monohydrated inorganic acids with different hydrogen atom orientations. We carried out MP2 calculations with aug-cc-pVDZ basis set for both monohydrated acids. MP2 results serve as a benchmark for DFT calculations.

• 대한기계학회논문집
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• 제13권3호
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• pp.323-329
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• 1989

본 연구에서는 판이론으로서는 해석이 불가능한 집중하중작용점에서 응력을 해석할 목적으로 3차원탄성이론과 변링포텐셜(POTENTIAL) 이론을 이용하여 유근평판의 집중하중작용점에서의 응력을 해석하는 방법을 제안하고저 한다.

• 조명전기설비학회논문지
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• 제20권5호
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• pp.92-98
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• 2006

본 논문은 봉상접지전극 주변에서 접지전극간 전위간섭에 대해 다루었다. 접지전극 상호간의 전위간섭을 저감하는 기법을 제안하기 위해서 실규모 접지전각에서 발생될 수 있는 대지전위와 전위간섭을 이론적 해석과 축소모델 실험을 이용하여 실험적으로 분석하였다. 반구형 수조모의접지 실험장치로 접지전극 상호간 이격거리에 따른 전위 상승과 전위간섭계수를 측정하고, CDEGS 소프트웨어를 이용하여 이들 현상을 해석하였다. 그 결과 전위상승과 전위간섭계수는 접지전극의 이격거리에 강하게 의존하였으며, 실측결과는 이론적 계산결과와 잘 일치는 결과를 얻었다.

• Journal of Astronomy and Space Sciences
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• 제23권3호
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• pp.209-216
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• 2006

Ion acoustic solitary wave in a plasma consisting of electrons and ions with an external magnetic field is reinvestigated using the Sagdeev's potential method. Although the Sagdeev potential has a singularity for n < 1, where n is the ion number density, we obtain new solitary wave solutions by expanding the Sagdeev potential up to ${\delta}n^4$ near n = 1. They are compressiv (rarefactive) waves and shock type solitary waves. These waves can exist all together as a superposed wave which may be used to explain what would be observed in the solar wind plasma. We compared our theoretical results with the data of the Freja satellite in the study of Wu et al. (1996). Also it is shown that these solitary waves propagate with a subsonic speed.

• 환경위생공학
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• 제13권2호
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• pp.26-33
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• 1998

It has been referred as a problem that heat source/sink is distance from heat demand area in using unused energy. To solve the distance problem in using unused energy, the water from city water system like tap water, rain water, waste water used as unused energy. To survey the potential of the water of city water system, it is developed that the calculation method of the potential using unit method. The amount of theoretical unused energy and energy saving in the Osaka City, Japan were estimated by using that method.

• 한국환경과학회지
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• 제15권5호
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• pp.493-501
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• 2006

The increase in environmental loads and energy consumptions has resulted in the need of developed new forms of energy for a sustainable use for the society. Recently, the viability of using unused energy has attracted a great deal of attention. From the view point of using unused energy, the most critical problem can be referred to as the distance between the heat source/sink and heat demand area. The water resource in the city water system was used to solve this distance problem with unused energy. The calculation method of the potential use unit was used to survey the potential of the water resource in the city water system. The amount of theoretical unused energy and energy savings in the model city were estimated using this method. It is estimated that the amounts of energy savings and $CO_2$ reduction correspond to 131.3 GWh and 29280[t-C], respectively, per annual basis.

• Journal of Electrochemical Science and Technology
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• 제4권3호
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• pp.93-101
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• 2013

The electrodeposition of indium onto a copper electrode from an aqueous sulfate solution containing $In^{3+}$ was studied by means of cyclic voltammetry and chronoamperometry. Reduction and oxidation of indium on copper were investigated by using cyclic voltammograms at different negative limiting potentials and at different scan rates in cumulative cycles. Cyclic voltammograms indicated that reduction and oxidation processes of indium could involve various reactions. Chronoamperometry was carried out to analyze the nucleation mechanism of indium in the early stage of indium electrodeposition. The non-dimensional plot of the current transients at different potentials showed that the shape of the plot depended on the applied potential. The nucleation of indium at potential step of -0.6~-0.8 V was close to progressive nucleation limited by diffusion. However the non-dimensional plot of current transients for the indium nucleation showed different behaviors from theoretical curves at the potential step lower than -0.8 V.