• 제목/요약/키워드: energy potential

검색결과 4,803건 처리시간 0.031초

Molecular dynamics simulation of bulk silicon under strain

  • Zhao, H.;Aluru, N.R.
    • Interaction and multiscale mechanics
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    • 제1권2호
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    • pp.303-315
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    • 2008
  • In this paper, thermodynamical properties of crystalline silicon under strain are calculated using classical molecular dynamics (MD) simulations based on the Tersoff interatomic potential. The Helmholtz free energy of the silicon crystal under strain is calculated by using the ensemble method developed by Frenkel and Ladd (1984). To account for quantum corrections under strain in the classical MD simulations, we propose an approach where the quantum corrections to the internal energy and the Helmholtz free energy are obtained by using the corresponding energy deviation between the classical and quantum harmonic oscillators. We calculate the variation of thermodynamic properties with temperature and strain and compare them with results obtained by using the quasi-harmonic model in the reciprocal space.

Calculation of Proton-Induced Reactions on Ti, Fe, Cu and Mo up to 60 MeV for TLA Application

  • Kim, Doohwan;Lee, Young-Ouk;Jonghwa Chang
    • Nuclear Engineering and Technology
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    • 제31권6호
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    • pp.595-607
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    • 1999
  • The reaction cross-sections of $^{nat}$Ti(p,X)$^{48}$ V, $^{nat}$Fe(p,X)$^{56}$ Co, $^{nat}$Cu(p,X)$^{65}$ Zn and $^{nat}$Mo(p,X)$^{96}$ Tc for TLA application are calculated in the frame of the ECIS-GNASH code system up to 60 MeV. The calculated results are compared with the experimental data taken from the EXFOR at the NEA Data Bank. A preliminary calculation with the global optical parameters of Varner et al. shows considerable differences from the experimental data at low energy range. The global optical parameters for the imaginary volume potential and the diffuseness of the imaginary potential are adjusted to achieve a better description of the experimental data in the vicinities of peak position below 16 MeV. 16 MeV.

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Vapor Phase Mercury Removal by Sulfur Impregnated Activated Carbons and Sulfur Impregnation Protocol

  • Lee, Si-Hyun;Cha, Sun-Young;Park, Yeong-Seong
    • Carbon letters
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    • 제2권1호
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    • pp.37-43
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    • 2001
  • Mercury has been identified as a potential health and environmental hazardous material. Activated carbon adsorption offers promising potential for the control of mercury emissions, and sulfur impregnated (sulfurized) activated carbons has been shown to be an effective sorbent for the removal of vapor phase $Hg{\circ}$ from sources. In this work, vapor phase mercury adsorption by sulfur impregnated activated carbons were investigated. Sulfur impregnated activated carbons were made by variation of impregnation temperature, and the comparison of adsorption characteristics with commercial virgin and sulfurized carbons were made. Factors affecting the adsorption capacity of virgin and sulfurized activated carbons such as pore characteristics, functional groups and sulfur impregnation conditions were discussed. It was found that the sulfur allotropes plays a critical role in adsorption of mercury vapor by sulfurized activated carbons.

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Theoretical Considerations on an Electrolytic Reduction Process for Reducing Spent Oxide Fuel

  • Park B. H.;Seo C. S.;Jung K.-J.;Park S. W.
    • 한국방사성폐기물학회:학술대회논문집
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    • 한국방사성폐기물학회 2005년도 Proceedings of The 6th korea-china joint workshop on nuclear waste management
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    • pp.86-91
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    • 2005
  • A metal product obtained from an electrolytic reduction process, possesses less volume and radioactivity than those of the unprocessed spent oxide fuels. The chemical composition of the metal product varies according to the process condition. In this work, a basic study was performed to evaluate the chemical forms of the spent oxide fuel components in an electrolytic reduction process with the operation conditions. One of the most important operation conditions is the cell potential applied for the reduction cell. It is expected that $PU_{2}O_3$ is difficult to reduce even though the cell potential is negative enough to reduce the lithium oxide when the activity of $Li_{2}O$ exceeds 0.003. The reduction of actinide oxides via the reduction of $Li_{2}O$ is assumed to have a greater reduction yield than a direct reduction of the actinide oxides.

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반응 경로의 일의적 함수 (제 1 보). 정의 및 근사 (A Unique Function of Reaction Path (I). Definition and Approximation)

  • 김호징;장효원
    • 대한화학회지
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    • 제32권2호
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    • pp.94-102
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    • 1988
  • principle of least motion의 정량적 표현을 제시하였다. potential energy surface상의 주어진 반응 경로에 대하여 전자 위치 변수의 함수, 그 함수의 norm과 반응 경로 평균 에너지를 일의적으로 정의하였고, 그들의 성질을 검토하였다. 함수의 norm과 평균 에너지를, 일분자 이성질체화 반응의 허용된 경로를 판별하는 척도로 사용할 수 있음을 제안하였다. 대칭성을 가진 분자에 대해서 계산하지 않고 허용된 경로를 판별하였으며 Woodward-Hoffmann 규칙의 적용과 같은 결과를 얻었다

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Analysis of Functional Criteria for Buffer Material in a High-level Radioactive Waste Repository

  • W. J. Cho;Lee, J. O.;K. S. Chun;Park, Hyun-Soo
    • Nuclear Engineering and Technology
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    • 제31권1호
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    • pp.116-132
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    • 1999
  • This study is intended to analyze the requirements of a buffer material that is one of the major components of the engineered barriers in a high-level radioactive waste repository. The characteristics of potential materials for the buffer in the repository were analyzed and a candidate material was selected. And, based on the current knowledge and the information from various sources, the requirements of a buffer material were evaluated. Finally its quantitative functional criteria on the generic viewpoint has been recommended to be supplied as a guideline for the development of the reference disposal concept and the related buffer material in Korea. The criteria are composed of seven major items, such as hydraulic conductivity, retardation capacity, swelling potential and swelling pressure, thermal conductivity, longevity, organic matter content, and mechanical properties.

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Study of Electrochemical Cs Uptake Into a Nickel Hexacyanoferrate/Graphene Oxide Composite Film

  • Choi, Dongchul;Cho, Youngjin;Bae, Sang-Eun;Park, Tae-Hong
    • Journal of Electrochemical Science and Technology
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    • 제10권2호
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    • pp.123-130
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    • 2019
  • We investigated the electrochemical behavior of an electrode coated with a nickel hexacyanoferrate/graphene oxide (NiPB/GO) composite to evaluate its potential use for the electrochemical separation of radioactive Cs as a promising approach for reducing secondary Cs waste after decontamination. The NiPB/GO-modified electrode showed electrochemically switched ion exchange capability with excellent selectivity for Cs over other alkali metals. Furthermore, the repetitive ion insertion and desertion test for assessing the electrode stability showed that the electrochemical ion exchange capacity of the NiPB/GO-modified electrode increased further with potential cycling in 1 M of $NaNO_3$. In particular, this electrochemical treatment enhanced Cs uptake by nearly two times compared to that of NiPB/GO and still retained the ion selectivity of NiPB, suggesting that the electrochemically treated NiPB/GO composite shows promise for nuclear wastewater treatment.

Mechanism Development and Position Control of Smart Buoy Robot

  • Park, Hwi-Geun;Kim, Hyun-Sik
    • 한국해양공학회지
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    • 제35권4호
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    • pp.305-312
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    • 2021
  • There is a gradual increase in the need for energy charging in marine environments because of energy limitations experienced by electric ships and marine robots. Buoys are considered potential energy charging systems, but there are several challenges, which include the need to maintain a fixed position and avoid hazards, dock with ships and robots in order to charge them, be robust to actions by birds, ships, and robots. To solve these problems, this study proposes a smart buoy robot that has multiple thrusters, multiple docking and charging parts, a bird spike, a radar reflector, a light, a camera, and an anchor, and its mechanism is developed. To verify the performance of the smart buoy robot, the position control under disturbance due to wave currents and functional tests such as docking, charging, lighting, and anchoring are performed. Experimental results show that the smart buoy robot can operate under disturbances and is functionally effective. Therefore, the smart buoy robot is suitable as an energy charging system and has potential in realistic applications.

Oscillating Water Column (OWC) Wave Energy Converter Part 1: Fixed OWC

  • Yang, Hyunjai;Jung, Hyen-Cheol;Koo, WeonCheol
    • 한국해양공학회지
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    • 제36권4호
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    • pp.280-294
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    • 2022
  • This study reviews the recent development and research results of a fixed oscillating water column (OWC) wave energy converter (WEC). The OWC WEC can be divided into fixed and floating types based on the installation location and movement of the structure. In this article, the study on a stationary OWC WEC, which is close to commercialization through the accumulation of long-term research achievements, is divided into five research categories with a focus on primary energy conversion research. These research categories include potential-flow-based numerical analysis, wave tank experiments, computational fluid dynamics analyses toward investigation of fluid viscous effects, U-shaped OWC studies that can amplify water surface displacement in the OWC chamber, and studies on OWC prototypes that have been installed and operated in real sea environments. This review will provide an overview of recent research on the stationary OWC WEC and basic information for further detailed studies on the OWC.

ELECTROMAGNETIC MEANING OF GIBB'S FREE ENERGY, ELECTOLYSIS, CELL REACTION AND BROWN GAS

  • Oh, Hung-Kuk
    • 한국감성과학회:학술대회논문집
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    • 한국감성과학회 2001년도 춘계학술대회 논문집
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    • pp.10-14
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    • 2001
  • Physical chemistry states that electric potential is due to Gibb's free energy from chemical reaction of the electric cell. However we have not the electromagnetic meaning of Gibb's free energy. the free energy is discovered to be a kinetic energy part of the rotating electromagnetic wave ($\pi$-ray), which is different from conventional Coulomb attraction energy and can anticipate that there is a current difference between before and after the electric load. This paper manipulates the relationship between $\pi$-rays (Gibb's free energy) and electrolysis, cell reaction and brown gas reaction.

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