• 제목/요약/키워드: Potential energy diagram

검색결과 17건 처리시간 0.021초

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

  • 김동언;손영기;임성한;오수익
    • 한국소성가공학회:학술대회논문집
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    • 한국소성가공학회 2003년도 추계학술대회논문집
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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

  • 최평호;김상섭;최병덕
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2012년도 제43회 하계 정기 학술대회 초록집
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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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축대칭 프레스가공 제품의 변형률 예측기술과 변형여유 해석에의 적용 (A method of calculating strain state and forming severity analysis for axisymmetric sheet formed parts.)

  • 박기철;남재복;최원섭
    • 한국소성가공학회:학술대회논문집
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    • 한국소성가공학회 1994년도 박판성형기술의 진보
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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.

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

  • 신성혜;김동수
    • 대한환경공학회지
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    • 제22권12호
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    • pp.2227-2238
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    • 2000
  • 수중 부유입자의 효과적인 제거 방안을 모색하고자 $CaCO_3$로 구성된 부유물의 계면화학적 특성을 고찰하였다. pH에 따른 전기영동도 측정에서는 수중 $OH^-$의 작용으로 pH가 상승함에 따라 electrokinetic potential은 음의 방향으로 변환하는 것으로 나타났다. 계면활성제는 부유물의 안정성에 영향을 끼치는 바, 계면활성제의 농도 및 전하에 따라 영향을 미치는 양상이 다르게 나타났다. 무기응집제의 경우에 있어서도 그 전하가 및 농도에 따라 부유물의 계면화학적 거동이 달라졌으며 이는 DLVO 이론에 의거하여 작성된 potential energy의 변화추이와 관련하여 이론적으로 해석될 수 있었다. Non-specific adsorption은 전기이중층의 압축을 초래하여 electrokinetic potential의 절대값 감소를 야기시켰으며 specific adsorption은 부유입자의 IEP 및 PZC가 상호 반대방향으로 이동하는 결과를 나타내었다.

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A Study of Hydrogen-Induced Metal Atom Rearrangement

  • Noh, Hak;Park, Choong-Nyeon;Flanagan, Ted B.
    • 한국수소및신에너지학회논문집
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    • 제7권1호
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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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    • 제42권5호
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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 $Np(OH)_4(CO_3)^{2-}$.

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) (Study on Thermodynamic Properties of Sulfidization for Uranium and Rare Earth Oxides)

  • 이정원;이재원;강권호;박근일
    • 자원리싸이클링
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    • 제21권1호
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    • pp.66-74
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    • 2012
  • 우라늄 및 희토류(RE: rare-earth) 산화물의 황화반응에 대한 $M-O_2-S_2$ 상태도 및 Gibbs 자유에너지 변화(${\Delta}G^{\circ}$)와 같은 열역학적 특성 자료를 비교, 분석하여 우라늄 및 회토류 산화물의 혼합상에서 황화반응에 의해 희토류산화물만 희토류황화물로의 선택적 반응이 가능한지를 조사하였다. 황화제로는 $CS_2$가 적합하였는데, $CS_2$는 다른 황화제보다 강한 황화재이며 반응온도를 낮출 수 있다. $CS_2$를 황화제로 이용하여 $U_2-O_2-S_2$$RE-O_2-S_2$의 상태도를 비교한 결과, $UO_2$은 반응하여 UOS로 전환되며 희토류산화물은 반응하여 희토류황화물이 되었다. 희토류산화물의 황화반응에 의한 ${\Delta}G^{\circ}$는 우라늄산화물의 ${\Delta}G^{\circ}$보다 낮았다. 따라서 희토류와 우라늄 산화물 혼합상은 $300{\sim}800^{\circ}C$에서의 황화반응 시에 평형상태에서 우라늄산황화물과 희토류황화물이 우선적으로 생성된다.

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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    • 제34권3호
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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.

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

  • 표상우;김윤명;이한성;김정수;이승희;김영관
    • 한국전기전자재료학회논문지
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    • 제13권5호
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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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