• Title/Summary/Keyword: L-J Potential

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A Study on the Phenomena at a Liquid-Vapor Interface by the Molecular Dynamics Method (분자동역학법을 이용한 기액계면현상에 관한 연구)

  • Choi, Hyun-Kue;Song, Chi-Sung;Kim, Hye-Min;Lee, Jung-Hye;Choi, Soon-Ho
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.29 no.1 s.232
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    • pp.159-168
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    • 2005
  • In recent studies, it was reported that there existed the temperature discontinuity at a liquid-vapor interface in an equilibrium state. However, from the viewpoint of the classical thermodynamics, it is highly questionable result although considering that the experiments related with a boundary layer is very difficult due to the extremely thin thickness of it. To clarify whether the temperature discontinuity over a liquid-vapor interface really exists, the computer simulations were performed. From the simulation results, it could be concluded that the misconception in a temperature calculation might result in non-uniform temperature distributions over an interface under an equilibrium state.

Monolithic porous carbon materials prepared from polyurethane foam templates

  • Pires, Joao;Janeiro, Andre;Oliveira, Filipe J.;Bastos, Alexandre C.;Pinto, Moises L.
    • Carbon letters
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    • v.18
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    • pp.11-17
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    • 2016
  • Monolithic carbon foams with hierarchical porosity were prepared from polyurethane templates and resol precursors. Mesoporosity was achieved through the use of soft templating with surfactant Pluronic F127, and macroporosity from the polyurethane foams was retained. Conditions to obtain high porosity materials were optimized. The best materials have high specific surface areas (380 and 582 m2 g-1, respectively) and high electrical conductivity, which make them good candidates for supports in sensors. These materials showed an almost linear dependence between the potential and the pH of aqueous solutions.

Experimental and Characteristic Analysis of Tubular Type Linear Oscillating Actuator with Halabch Magnetized PMs Mover (Halbach배열 영구자석 가동자로 구성된 Tubular형 직선 왕복 액추에이터의 특성해석 및 실험)

  • Jang, S.M.;Choi, J.Y.;Lee, S.H.;Lee, S.L.
    • Proceedings of the KIEE Conference
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    • 2003.07b
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    • pp.756-758
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    • 2003
  • In the machine tool industry, direct drive linear motor technology is of increasing interest as a means to achieve high acceleration, and to increase reliability. This paper deals with the characteristics of tubular type linear oscillating actuator with Halbach magnet array. The magnetic field solutions are derived analytically in terms of vector potential, two dimensional cylindrical coordinate system and Maxwell's equations. Motor thrust, flux linkage, back emf are then derived. The results are shown in good conformity with those obtained from the commonly used finite element method. Test results such as thrust measurements are also given to confirm the analysis.

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Mapping Within-field Variability Using Airborne Imaging Systems: A Case Study from Missouri Precision Agriculture

  • Hong, S.Y.;Sudduth, K.A.;Kitchen, N.R.;Palm, H.L.;Wiebold, W.J.
    • Proceedings of the KSRS Conference
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    • 2003.11a
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    • pp.1049-1051
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    • 2003
  • This study investigated the use of airborne image data to provide estimates of within -field variability in soil properties and crop growth as an alternative to extensive field data collection. Hyperspectral and multispectral images were acquired in 2000, 2001, and 2002 for central Missouri experimental fields. Data were converted to reflectance using chemically-treated reference tarps with known reflectance levels. Geometric distortion of the hyperspectral pushbroom sensor images was corrected with a rubber sheeting transformation. Statistical analyses were used to relate image data to field-measured soil properties and crop characteristics. Results showed that this approach has potential; however, it is important to address a number of implementation issues to insure quality data and accurate interpretations.

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Integral nuclear data validation using experimental spent nuclear fuel compositions

  • Gauld, Ian C.;Williams, Mark L.;Michel-Sendis, Franco;Martinez, Jesus S.
    • Nuclear Engineering and Technology
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    • v.49 no.6
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    • pp.1226-1233
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    • 2017
  • Measurements of the isotopic contents of spent nuclear fuel provide experimental data that are a prerequisite for validating computer codes and nuclear data for many spent fuel applications. Under the auspices of the Organisation for Economic Co-operation and Development (OECD) Nuclear Energy Agency (NEA) and guidance of the Expert Group on Assay Data of Spent Nuclear Fuel of the NEA Working Party on Nuclear Criticality Safety, a new database of expanded spent fuel isotopic compositions has been compiled. The database, Spent Fuel Compositions (SFCOMPO) 2.0, includes measured data for more than 750 fuel samples acquired from 44 different reactors and representing eight different reactor technologies. Measurements for more than 90 isotopes are included. This new database provides data essential for establishing the reliability of code systems for inventory predictions, but it also has broader potential application to nuclear data evaluation. The database, together with adjoint based sensitivity and uncertainty tools for transmutation systems developed to quantify the importance of nuclear data on nuclide concentrations, are described.

Exceptionally stable green-synthesized gold nanoparticles for highly sensitive and selective colorimetric detection of trace metal ions and volatile aromatic compounds

  • Singh, Karanveer;Kukkar, Deepak;Singh, Ravinder;Kukkar, Preeti;Kim, Ki-Hyun
    • Journal of Industrial and Engineering Chemistry
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    • v.68
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    • pp.33-41
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    • 2018
  • The manuscript reports synthesis of exceptionally stable gold nanoparticles (GNPs) using Momordica charantia fruit extract. The synthesis approach was optimized by refining three experimental variables including source of the fruit extract (peel, seed, and seed coat), pH of the solution, and temperature of the reaction medium. As synthesized GNPs showed excellent stability against various thiolated compounds (e.g., thioglycolic acid, thiourea, ${\text\tiny{L}}-cystine$, 1-dodecanethiol, and cysteamine hydrochloride). Moreover, these nanoparticles showed distinctive colorimetric responses against $Cd^{2+}$ and thiophenol (TP) from their potential interferences. The limit of detection (LOD) values for $Cd^{2+}$ and TP were determined as 0.186 and $0.154{\mu}M$, respectively.

Optimization of the extraction of phytochemicals from black mulberry (Morus nigra L.) leaves

  • Nastic, Natasa;Borras-Linares, Isabel;Lozano-Sanchez, Jesus;Svarc-Gajic, Jaroslava;Segura-Carretero, Antonio
    • Journal of Industrial and Engineering Chemistry
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    • v.68
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    • pp.282-292
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    • 2018
  • This study aimed to compare the chemical composition of Morus nigra leaves extracts, obtained by maceration, accelerated solvent (ASE) and supercritical fluid extraction (SFE) under different extraction conditions. With regards to chemical composition, mainly phenolic acids and flavonoids were identified. HPLC-ESI-QTOF-MS allowed the identification of 13 new compounds reported in M. nigra leaves for the first time. ASE as a fast, green and innovative approach, seems to be the best choice for extracting compounds of different polarities within the shortest extraction time. The present study also highlights the potential application of M. nigra extracts as constituents of new added-value formulations.

FIRST PRINCIPLE CALCULATIONS OF MCD SPECTRA FOR SANDWICHED Co(110) SYSTEMS

  • Hong, Soon-C.;Lee, Jae-Il;Wu, R.;Freeman, A.J.
    • Journal of the Korean Magnetics Society
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    • v.5 no.5
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    • pp.575-578
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    • 1995
  • X-ray magnetic-circular-dichroism (MCD) spectra, orbital ($$) and spin magnetic moments ($$) for Co(110) monolayers a free standing mode or sandwiched between Pd(Pd/1Co/Pd)and Cu layers (Cu/1Co/Cu) are calculated using the thin film full potential linearized augmented plane wave energy band method. In contrast to the double peak structure predicted for the Co(0001) surface, only a minor side peak is found in the MCD spectra for Cu/Co/Cu, while MCD spectra for the other systems show a single peak structure. The MCD sum rules originally derived from a single ion model are found in the band approach to be valid for the systems investigated. However, for the spin sum rule, the magnetic dipole term ($$) is not negligible and needs to be included.

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3D stability of shallow cavity roof with arbitrary profile under influence of pore water pressure

  • Luo, W.J.;Yang, X.L.
    • Geomechanics and Engineering
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    • v.16 no.6
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    • pp.569-575
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    • 2018
  • The stability of shallow cavities with an arbitrary profile is a difficult issue in geotechnical engineering. This paper investigates this problem on the basis of the upper bound theorem of limit analysis and the Hoek-Brown failure criterion. The influence of pore pressure is taken into consideration by regarding it as an external force acting on rock skeleton. An objective function is constructed by equating the internal energy dissipation to the external force work. Then the Lagrange variation approach is used to solve this function. The validity of the proposed method is demonstrated by comparing the analytical solutions with the published research. The relations between shallow and deep cavity are revealed as well. The detaching curve of cavity roof with elliptical profile is obtained. In order to facilitate the application of engineering practice, the numerical results are tabulated, which play an important role in tunnel design and stability analysis of roof. The influential factors on potential collapse are taken into consideration. From the results, the impact of various factors on the extent of detaching is seen intuitively.

State-of-the-art and challenges of non-destructive techniques for in-situ radiological characterization of nuclear facilities to be dismantled

  • Amgarou, Khalil;Herranz, Margarita
    • Nuclear Engineering and Technology
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    • v.53 no.11
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    • pp.3491-3504
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    • 2021
  • This paper reports on the state-of-the-art of the main non-destructive assay (NDA) techniques usually used for in-situ radiological characterization of nuclear facilities subject to a decommissioning programme. For the sake of clarity and coherence, they have been classified as environmental radiation monitoring, surface contamination measurements, gamma spectrometry, passive neutron counting and radiation cameras. Particular mention is also made here to the various challenges that each of these techniques must currently overcome, together with the formulation of some proposals for a potential evolution in the future.