• Title/Summary/Keyword: Potential energy diagram

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Molecular Dynamic Simulation of Nano Indentation and Phase Transformation (분자동역학을 이용한 나노 인덴테이션과 상변화 해석 연구)

  • 김동언;손영기;임성한;오수익
    • Proceedings of the Korean Society for Technology of Plasticity Conference
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    • 2003.10a
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    • pp.339-346
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    • 2003
  • Molecular dynamic simulations of nano indentation on single-crystal silicon (100) surface were performed using diamond indentor. Silicon substrate and diamond indentor were modeled diamond structure with Tersoff potential model. Phase transformation of silicon, incipient plastic deformation, change of incident temperature distribution are investigated through the change of potential energy distribution, displacement-load diagram, the change of kinetic energy distribution and displacements of silicon atoms. Phase transformation is highly localized and consists of a high-density region surrounding the tip. Axial load linearly increased according to the indenting depth. Number of atoms with high kinetic energy increased at the interface between substrate and indentor tip.

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C-V 측정을 통한 다이오드 소자의 온도 특성 분석

  • Choe, Pyeong-Ho;Kim, Sang-Seop;Choe, Byeong-Deok
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.08a
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    • pp.284-284
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    • 2012
  • 본 연구에서는 다이오드 소자의 온도 증가에 따른 C-V 특성을 분석하였다. 180 kHz 주파수 조건에서 온도는 300 K에서 450 K까지 50 K 간격으로 가변하였다. 측정 결과 reverse bias 영역에서는 커패시턴스의 온도 의존성이 없었으나, forward bias 영역에서는 온도가 증가함에 따라 동일 전압에서의 커패시턴스가 증가하였다. 이로부터 온도가 증가 할수록 소자가 반전(inversion) 상태에서 축적(accumulation) 상태로 빨리 전환함을 확인하였으며, 1/C2-V 그래프로부터 온도 증가에 따른 전위장벽(Built-in potential, Vbi) 감소를 확인하였다. 전위장벽은 0.63 V에서 0.31 V로 온도 상승에 따라 약 0.1 V씩 감소하였다. 이는 energy band diagram에서 p-type 영역과 n-type 영역의 energy band 차가 감소해 공핍층 영역의 폭이 좁아짐을 의미한다. 공핍층의 두께 감소로 다이오드 전류의 급격한 증가뿐 아니라 위에서 언급한 바와 같은 C-V 특성을 보였다. 이번 연구에서는 기존의 보편화 된 I-V 측정을 통한 다이오드 소자 분석과는 달리 온도 변화에 따른 C-V 분석을 통해 소자 내부의 전위 장벽 및 공핍층 폭 감소에 따른 소자 특성 변화를 분석하였다.

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A method of calculating strain state and forming severity analysis for axisymmetric sheet formed parts. (축대칭 프레스가공 제품의 변형률 예측기술과 변형여유 해석에의 적용)

  • 박기철;남재복;최원섭
    • Proceedings of the Korean Society for Technology of Plasticity Conference
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    • 1994.06a
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    • pp.173-184
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    • 1994
  • A method of obtaining deformation severity of axisymmetric shape deep-drawn products was developed. Strain states of products produced by single or multi-stage drawing were predicted by using finite element analysis. This method used minimization of potential energy between the known shape of final product and the unknown in initial blank. And that was done numerically by nonlinear finite element method. Deformation theory of plasticity was used for practical purposes. From predicted strain states of drawn parts, deformation severity was found by using forming limit diagrams.

Interfacial Features of Colloidal Particles in Aqueous Environment and Change in Its Stability According to Influential Conditions (수중 콜로이드성 고형물의 계면화학적 특성 및 영향 인자 조건에 따른 안정성의 변화)

  • Shin, Sung-Hye;Kim, Dong-Su
    • Journal of Korean Society of Environmental Engineers
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    • v.22 no.12
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    • pp.2227-2238
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    • 2000
  • The interfacial features of suspension system made of $CaCO_3$ particles have been investigated for the purpose of designing its effective treatment process. For the examination of variation of electrokinetic potential as a function of pH. the value of potential was observed to shift in the negative direction, which was thought to be due to the adsorption of hydroxide ion on the particle surface. Adsorption of surfactant on suspended particles resulted in the change of surface charge and shift in electrokinetic potential, which was dependent upon the sign of head charge and concentration of surfactant. Addition of inorganic salts affected stability of suspension greatly and sedimentation rate of suspension was influenced by the electric valence and amount of ions produced by dissolution of inorganic coagulants. DLVO theory made it possible to construct a energy profile diagram and a close correlation was found between experimental result and theoretically derived consequences. Non-specific adsorption of indifferent electrolyte resulted in the compression of electrical double layer and specific adsorption induced the shift of IEP and PZC in the opposite direction.

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A Study of Hydrogen-Induced Metal Atom Rearrangement

  • Noh, Hak;Park, Choong-Nyeon;Flanagan, Ted B.
    • Transactions of the Korean hydrogen and new energy society
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    • v.7 no.1
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    • pp.111-115
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    • 1996
  • Metal atom rearrangement has been shown to take place under the influence of hydrogen-induced atomic diffusion (HIAD) in initially homogeneous fee palladiumalloys by electron microprobe analysis, optical microscopy, mechanical property tests and hydrogen isotherms. HIAD takes place in palladium alloys at moderate to elevated temperatures leading to phase segregation under conditions where segregation does not normally occur, i.e., in the absence of H over the time scale of the experiments. From these results, it is confirmed that dissolved hydrogen plays a dual role in some of these alloys, i.e. it catalyzes metal atom diffusion. This research demonstrates the potential utility of employing H-induced changes for phase diagram determination of Pd alloys and possibly for other alloy system.

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EFFECT OF CARBONATE ON THE SOLUBILITY OF NEPTUNIUM IN NATURAL GRANITIC GROUNDWATER

  • Kim, B.Y.;Oh, J.Y.;Baik, M.H.;Yun, J.I.
    • Nuclear Engineering and Technology
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    • v.42 no.5
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    • pp.552-561
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    • 2010
  • This study investigates the solubility of neptunium (Np) in the deep natural groundwater of the Korea Atomic Energy Research Institute Underground Research Tunnel (KURT). According to a Pourbaix diagram (pH-$E_h$ diagram) that was calculated using the geochemical modeling program PHREEQC 2.0, the redox potential and the carbonate ion concentration both control the solubility of neptunium. The carbonate effect becomes pronounced when the total carbonate concentration is higher than $1.5\;{\times}\;10^{-2}$ M at $E_h$ = -200 mV and the pH value is 10. Given the assumption that the solubility-limiting stable solid phase is $Np(OH)_4(am)$ under the reducing condition relevant to KURT, the soluble neptunium concentrations were in the range of $1\;{\times}\;10^{-9}$ M to $3\;{\times}\;10^{-9}$ M under natural groundwater conditions. However, the solubility of neptunium, which was calculated with the formation constants of neptunium complexes selected in an OECD-NEA TDB review, strongly deviates from the value measured in natural groundwater. Thus, it is highly recommended that a prediction of neptunium solubility is based on the formation constants of ternary Np(IV) hydroxo-carbonato complexes, even though the presence of those complexes is deficient in terms of the characterization of neptunium species. Based on a comparison of the measurements and calculations of geochemical modeling, the formation constants for the "upper limit" of the Np(IV) hydroxo-carbonato complexes, namely $Np(OH)_y(CO_3)_z^{4-y-2z}$, were appraised as follows: log $K^{\circ}_{122}\;=\;-3.0{\pm}0.5$ for $Np(OH)_2(CO_3)_2^{2-}$, log $K^{\circ}_{131}\;=\;-5.0{\pm}0.5$ for $Np(OH)_3(CO_3)^-$, and log $K^{\circ}_{141}\;=\;-6.0{\pm}0.5$ for $Np(OH)_4(CO_3)^{2-}$.

Study on Thermodynamic Properties of Sulfidization for Uranium and Rare Earth Oxides (우라늄 및 희토류(稀土流) 산화물(酸化物)의 황화반응(黃化反應)에 대한 열역학적(熱力學的) 고찰(考察))

  • Lee, Jung-Won;Lee, Jae-Won;Kang, Kweon-Ho;Park, Geun-Il
    • Resources Recycling
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    • v.21 no.1
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    • pp.66-74
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    • 2012
  • In order to evaluate the feasibility of selective sulfidization of uranium and rare-earth(RE) oxides, an analysis on thermodynamic data, such as $M-O_2-S_2$ phase stability diagram and changes of Gibbs free energy for sulfidization of uranium and rare-earth oxides were carried out. Comparing $RE-O_2-S_2$ with $U-O_2-S_2$ phase stability diagram at wide range of sulfur potential, $UO_2$ remains unreacted, while RE oxides are sulfidized. The Gibbs free energy change(${\Delta}G^{\circ}$) of sulfidization of RE oxides is lower than that of uranium oxides. Thus, the selective formation of RE sulfides is possible during sulfidization of RE and uranium oxides at lower temperature. $CS_2$ was selected as a sulfidizing agent, because it is a stronger sulfidizing agent than other agents and reacts at lower temperature.

Landslide risk zoning using support vector machine algorithm

  • Vahed Ghiasi;Nur Irfah Mohd Pauzi;Shahab Karimi;Mahyar Yousefi
    • Geomechanics and Engineering
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    • v.34 no.3
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    • pp.267-284
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    • 2023
  • Landslides are one of the most dangerous phenomena and natural disasters. Landslides cause many human and financial losses in most parts of the world, especially in mountainous areas. Due to the climatic conditions and topography, people in the northern and western regions of Iran live with the risk of landslides. One of the measures that can effectively reduce the possible risks of landslides and their crisis management is to identify potential areas prone to landslides through multi-criteria modeling approach. This research aims to model landslide potential area in the Oshvand watershed using a support vector machine algorithm. For this purpose, evidence maps of seven effective factors in the occurrence of landslides namely slope, slope direction, height, distance from the fault, the density of waterways, rainfall, and geology, were prepared. The maps were generated and weighted using the continuous fuzzification method and logistic functions, resulting values in zero and one range as weights. The weighted maps were then combined using the support vector machine algorithm. For the training and testing of the machine, 81 slippery ground points and 81 non-sliding points were used. Modeling procedure was done using four linear, polynomial, Gaussian, and sigmoid kernels. The efficiency of each model was compared using the area under the receiver operating characteristic curve; the root means square error, and the correlation coefficient . Finally, the landslide potential model that was obtained using Gaussian's kernel was selected as the best one for susceptibility of landslides in the Oshvand watershed.

A Study on the Various Organic Electroluminescent Devices Using Lanthanide Chelate Metal Complexes (란탄계 금속 착화합물을 이용한 다양한 유기 전기 발광 소자의 연구)

  • 표상우;김윤명;이한성;김정수;이승희;김영관
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.13 no.5
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    • pp.437-443
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    • 2000
  • In this study several lanthanide complexes such as Eu(TTA)$_3$(Phen), Tb(ACAC)$_3$-(Cl-Phen) were synthesized and the white-light electroluminescence(EL) characteristics of their thin films were investigated where the devices having structures of anode/TPD/Tb(ACAC)$_3$(Cl-Phen)/Eu(TTA)$_3$(Phen)/Alq$_3$or Bebq$_2$/cathode and the low work function metal alloy such as Li:Al was used as the electron injecting electrode(cathode). Device structure of glass substrate/ITO/TPD(30nm)/Tb(ACAC)$_3$(Phen)(30nm)/Eu(TTA)$_3$(Phen)(6nm)/DCM doped Alq$_3$(10nm)/Alq$_3$(20nm)/Li:Al(100nm) was also fabricated and their EL characteristics were investigated where Eu(TTA)$_3$(Phen) and DCM doped Alq$_3$were used as red light-emitting materials. It was found that the turn-on voltage of the device with non-doped Alq$_3$was lower than that of the devices with doped Alq$_3$and the blue and red light emission peaks due to TPD and Eu(TTA)$_3$(Phen) with non-doped Alq$_3$were lower than those with DCM doped Alq$_3$Details on the white-light-emitting characteristics of these device structures were explained by the energy and diagrams of various materials used in these structure where the energy levels of new materials such as ionization potential(IP) and electron affinity(EA) were measured by cyclic voltametric method.

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