• 제목/요약/키워드: diffusion barriers

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A Modified Enskog-Like Equation of Self-Diffusion Coefficients for Penetrable-Sphere Model Fluids

  • Suh, Soong-Hyuck;Liu, Hong-Lai
    • Bulletin of the Korean Chemical Society
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    • 제32권4호
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    • pp.1336-1340
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    • 2011
  • Molecular dynamics simulations have been performed to investigate the transport properties of self-diffusion coefficients in the penetrable-sphere model system. The resulting simulation data for the product of the packing fraction and the self-diffusion coefficient exhibit a transition from an increasing function of density in lower repulsive systems, where the soft-type collisions are dominant, to a decreasing function in higher repulsive systems, where most particle collisions are the hard-type reflections due to the low-penetrability effects. A modified Enskog-like equation implemented by the effective packing fraction with the mean-field energy correction is also proposed, and this heuristic approximation yields a reasonably good result even in systems of high densities and high repulsive energy barriers.

Kinetic Monte Carlo 시뮬레이션을 이용한 흡착 원자의 확산 계수 결정 (A method for determination of diffusion parameters of adatoms using kinetic monte calo simulation)

    • 한국진공학회지
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    • 제9권4호
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    • pp.419-427
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    • 2000
  • 본 연구는 원자의 주변 환경에 따른 각각의 확산 속도를 구할 수 있는 기구를 제시하였다. STM 또는 HRLEED 등의 실험과 kinetic Monte Carlo(KMC) 시뮬레이션 계산과의 비교를 통하여 테라스 위 흡착 원자의 확산장벽, step 끝 부착 원자의 탈착 확산 장벽, 잘 알려진 Schwoebel 장벽을 포함한 각각의 확산 장벽을 구할 수 있었다. 팔-넓이, 군집 밀도, 거칠기 등이 시뮬레이션 계산과 실험 결과를 비교하는 데에 가장 적절한 원자단위의 구조변수들임을 확인하였고, 특히 아직 잘 사용되지 않은 구조 계수인 가지폭이 확산 장벽을 구별하여 구하는 데에 중요한 역할을 하는 것을 확인하였다.

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Effect of Exchangeable Cation on Radionuclide Diffusion In Compacted Bentonite

  • Park, Jong-Won;Park, Hyun-Soo;Dennis W. Oscarson
    • Nuclear Engineering and Technology
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    • 제28권3호
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    • pp.274-279
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    • 1996
  • Diffusion coefficient is a critical parameter for predicting radiological source term(migration rate and flux of radionuclide) through given near field conditions in spent fuel or high level waste repository. The effect of exchangeable cation-$Na^+$ and $Ca^{2+} - on the diffusion of $I^- \;and^3H$ (as HTO) in compacted bentonite was examined using a through-diffusion method. Bentonite material used here was compacted to a density of 1.3 Mg/m$^3$, and Na-bentonite was saturated with a solution of 100 mol NaCl/m$^3$ and Ca-bentonite with 50 $mol\;CaCl_2$/m$^3$. The results show that effective diffusion coefficients are generally higher by a factor of two to five in Ca-than Na-clay. This is attributed to the larger particle size of Ca-compared to Na-bentonite; hence, Ca-bentonite has a greater proportion of relatively large pores, which make a greater contribution to mass transport than small pores. Although the nature of the exchangeable cation affects mass diffusion in compacted bentonite, the effect is small and not likely to influence performance assessment modeling of compacted bentonite-based barriers.

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The problems of spatial modernization of the economy and new approaches to way out from crisis: Kazakhstan's experience

  • Kireyeva, Anel A.;Nurlanova, Nailya K.
    • 유통과학연구
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    • 제11권3호
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    • pp.39-48
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    • 2013
  • Purpose - This study aims to analyze the main problems of spatial modernization of the economy, and to develop new approaches to way out from crisis, to accelerate of innovations process from the cities-centers to the underdeveloped regions. Research design, data, methodology - The application of scientific methods in this research will allow to systematize the available data, from both a theoretical and empirical perspective. The study employs the method of ranking regions, the rate of innovation activity and comparative evaluation of R&D indicator. In addition, the authors proposed the method of modeling of innovation diffusion in the regions. Results - This study confirms that the need help for the underdeveloped regions, but we should clearly understand the limits of opportunities and to choose the right mechanisms. Further, this study shows it's important to maintain the regions with high innovation activity, as they are growth poles, which are play the role of translator's innovations to the periphery. Conclusions - According to the results of this theoretical and empirical study proved that modernization of the economy is realized faster in the regions with the best conditions for the diffusion of innovations, the higher the concentration of the population, a more developed infrastructure and reduced of administrative barriers.

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국내 골퍼들의 햇빛차단 행동 및 자외선차단 의복에 대한 태도 조사 (A Study on Korean Golfers' Sun Protective Behavior and Their Intention to Buy UV-protective Clothing)

  • 성희원;전양진
    • 한국의류학회지
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    • 제29권1호
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    • pp.189-197
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    • 2005
  • The purpose of this study was to find factors affecting sun protective behavior and intention to buy UV-protective clothing among Korean golfers. Health belief (HB) model and diffusion theory(DT) were used for the study. Dependent variable of HB model was sun protective behaviors (SPBs) and dependent variable of DT model was intention to buy (ITB) UV-protective clothing. Independent variables for HB model were cancer perception, perceived benefits, behavioral/psychological barriers and cues to actions, while independent variables of DT model were relative advantage, compatibility, complexity, friability, and observability, besides demographic variables. Perceived benefits and cues to action variables in addition to gender and age were significant determinants of SPB for Korean golfers. Also, relative advantage and compatibility. behavioral barriers and cues to action were significant in affecting intention to buy UV-protective clothes. Both HB model and extended DT model were useful to predict sun protective behavior of Korean golfers.

자외선 차단 의복에 대한 소비자 조사 -아웃도어 스포츠웨어를 중심으로- (A Study on UV Protective Clothing - An Emphasis on Outdoor Sports Consumers -)

  • 성희원;전양진;박혜선
    • 한국의류학회지
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    • 제29권8호
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    • pp.1136-1145
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    • 2005
  • The objective of this study was to determine factors affecting sun protective behavior and intention to buy UV protective clothing among outdoor sport persons in Korea. A self-administered questionnaire was distributed to mountain climbers, bikers and in-line skaters with a convenience sampling method. Two theoretical frameworks, health belief(HB) model and diffusion theory(DT) were used for the study. Based on HB model, sun protection behaviors(SPBs) were associated with cancer perception, perceived benefits, behavioral barriers and cues to actions based on the HB model. Based on DT model, intention to buy (ITB) was determined by an individual's perceived attributes of UV protective shirt. Appearance concern variables were added to the extended HB model. The extended DT model was proposed by adding the variables in the HB model and variables of appearance concern. Multiple regression analysis was applied. Results were as follows. First, perceived benefits, behavioral barriers, cues to action, and all three appearance concern variables as well as gender and age were significant determinants of SPB for Korean outdoor consumers. Second, relative advantage, compatibility, friability, behavioral barriers and cues to action with some appearance concern variables were significant in affecting intention to buy UV protective clothes. Extended HB model and extended DT model were useful to understand SPBs of Korean outdoor consumers.

Study on Anomalous Scaling Exponents for Molecular Thin Film Growth Using Surface Lateral Diffusion Model

  • Gong, Hye-Jin;Yim, Sang-Gyu
    • Bulletin of the Korean Chemical Society
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    • 제32권7호
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    • pp.2237-2242
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    • 2011
  • Anomalous scaling behaviors such as significantly large growth exponent (${\beta}$) and small reciprocal of dynamic exponent (1/z) values for many molecular crystalline thin films have been reported. In this study, the variation of scaling exponent values and consequent growth behaviors of molecular thin films were more quantitatively analysed using a (1+1)-dimensional surface lateral diffusion model. From these simulations, influence of step edge barriers and grain boundaries of molecular thin films on the various scaling exponent values were elucidated. The simulation results for the scaling exponents were also well consistent with the experimental data for previously reported molecular thin film systems.

Ussing's flux ratio theorem for nonlinear diffusive transport with chemical interactions

  • Bracken, A.J.;McNabb, A.;Suzuki, M.
    • 제어로봇시스템학회:학술대회논문집
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    • 제어로봇시스템학회 1994년도 Proceedings of the Korea Automatic Control Conference, 9th (KACC) ; Taejeon, Korea; 17-20 Oct. 1994
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    • pp.747-752
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    • 1994
  • Ussing's flux ratio theorem (1978) reflects a reciprocal relationship behavior between the unidirectional fluxes in asymmetric steady diffusion-convection in a membrane slab. This surprising result has led to many subsequent studies in a wide range of applications, in particular involving linear models of time dependent problems in biology and physiology. Ussing's theorem and its extensions are inherently linear in character. It is of considerable interest to ask to what extent these results apply, if at all, in situations involving, for example, nonlinear reaction. A physiologically interesting situation has been considered by Weisiger et at. (1989, 1991, 1992) and by McNabb et al. (1990, 1991) who studied the role of albumin in the transport of ligands across aqueous diffusion barriers in a liver membrane slab. The results are that there exist reciprocal relationships between unidirectional fluxes in the steady state, although albumin is chemically interacting in a nonlinear way of the diffusion processes. However, the results do not hold in general at early times. Since this type of study first started, it has been speculated about when and how the Ussing's flux ratio theorem fails in a general diffusion-convection-reaction system. In this paper we discuss the validity of Ussing-type theorems in time-dependent situations, and consider the limiting time behavior of a general nonlinear diffusion system with interaction.

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The Characterization of Mn Based Self-forming Barriers on low-k Samples with or without UV Curing Treatment

  • 박재형;한동석;강민수;박종완
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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    • pp.352.2-352.2
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    • 2014
  • In this present work, we report a Cu-Mn alloy as a materials for the self-forming barrier process. And we investigated diffusion barrier properties of self-formed layer on low-k dielectrics with or without UV curing treatment. Cu alloy films were directly deposited onto low-k dielectrics by co-sputtering, followed by annealing at various temperatures. X-ray diffraction revealed Cu (111), Cu (200) and Cu (220) peaks for both of Cu alloys. The self-formed layers were investigated by transmission electron microscopy. In order to compare barrier properties between Mn-based interlayer interlayer, thermal stability was measured with various low-k dielectrics. X-ray photoelectron spectroscopy analysis showed that chemical compositions of self-formed layer. The compositions of the Mn based self-formed barriers after annealing were determined by the C concentration in the dielectric layers.

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Cu/Capping Layer/NiSi 접촉의 상호확산 (Interdiffusion in Cu/Capping Layer/NiSi Contacts)

  • 유정주;배규식
    • 한국재료학회지
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    • 제17권9호
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    • pp.463-468
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    • 2007
  • The interdiffusion characteristics of Cu-plug/Capping Layer/NiSi contacts were investigated. Capping layers were deposited on Ni/Si to form thermally-stable NiSi and then were utilized as diffusion barriers between Cu/NiSi contacts. Four different capping layers such as Ti, Ta, TiN, and TaN with varying thickness from 20 to 100 nm were employed. When Cu/NiSi contacts without barrier layers were furnace-annealed at $400^{\circ}C$ for 40 min., Cu diffused to the NiSi layer and formed $Cu_3Si$, and thus the NiSi layer was dissociated. But for Cu/Capping Layers/NiSi, the Cu diffusion was completely suppressed for all cases. But Ni was found to diffuse into the Cu layer to form the Cu-Ni(30at.%) solid solution, regardless of material and thickness of capping layers. The source of Ni was attributed to the unreacted Ni after the silicidation heat-treatment, and the excess Ni generated by the transformation of $Ni_2Si$ to NiSi during long furnace-annealing.