• Title/Summary/Keyword: interaction energies

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Properties of photoluminescence and time-resolved photoluminescence in doped GaAs (도핑된 GaAs의 형광 및 시간분해 형광 특성)

  • 추장희;서정철;유성규;신은주;이주인;김동호
    • Korean Journal of Optics and Photonics
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    • v.8 no.3
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    • pp.213-217
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    • 1997
  • We have measured photoluminescence (PL) and time-resolved PL in doped-GaAs. As increasing doping concentration, the PL spectra of n-type GaAs shift to higher energies while the PL spectra of p-type GaAs shift to lower energies than the bandgap of the undoped GaAs. The contribution of the Burstein-Moss effect overrules the band-gap narrowing in n-type GaAs, contrary to p-type GaAs. The PL rise time and decay time become shorter as increasing doping concentration. The PL rise and decay time in doped-GaAs depend on the type of majority carriers and their concentrations, which imply that the carrier-carrier interaction plays an important role in the energy relaxation processes.

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Study of Self-assembled Organic Layer Formation at the HATCN/Au Interface

  • Kim, Ji-Hoon;Won, Sangyeon;Kwon, Young-Kyun;Kahng, Se-Jong;Park, Yongsup
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.08a
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    • pp.150.2-150.2
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    • 2013
  • We elucidate the mechanism of the self-assembled organic layer formation at the organic/metal interface of hexaaza-triphenylene-hexacarbonitrile (HATCN)/Au(111) by first-principles calculations and Lowtemperature scanning tunneling microscope (STM). In this work, we used HATCN to deposit organic material which is well known as an efficient OLED charge generation material. Low-temperature STM measurements revealed that self-assembled hexagonal porous structure is formed at terraces of Au(111). We also found that the hexagonal porous structure has chirality and forms only small (<1000 $nm^2$) phaseseparated chiral domains that can easily change their chiral phase in subsequence STM images at 80 K. To explain the mechanism of these observation, we calculated the molecular-molecular and molecule-surface interaction energies by using density functional theory method. We found that the change of their chiral phase resulted from the competition between the two energies. These results have not only verified our experimental observations, but also revealed the delicate balance between different interactions that caused the self-assembed structures at the surface.

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Radiation shielding properties of weathered soils: Influence of the chemical composition and granulometric fractions

  • Pires, Luiz F.
    • Nuclear Engineering and Technology
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    • v.54 no.9
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    • pp.3470-3477
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    • 2022
  • Soils are porous materials with high shielding capability to attenuate gamma and X-rays. The disposal of radionuclides throughout the soil profile can expose the living organisms to ionizing radiation. Thus, studies aiming to analyze the shielding properties of the soils are of particular interest for radiation shielding. Investigations on evaluating the shielding capabilities of highly weathered soils are still scarce, meaning that additional research is necessary to check their efficiency to attenuate radiation. In this study, the radiation shielding properties of contrasting soils were evaluated. The radiation interaction parameters assessed were attenuation coefficients, mean free path, and half- and tenth-value layers. At low photon energies, the photoelectric absorption contribution to the attenuation coefficient predominated, while at intermediate and high photon energies, the incoherent scattering and pair production were the dominant effects. Soils with the highest densities presented the best shielding properties, regardless of their chemical compositions. Increases in the attenuation coefficient and decreases in shielding parameters of the soils were associated with increases in clay, Fe2O3, Al2O3, and TiO2 amounts. In addition, this paper provides a comprehensive description of the shielding properties of weathered soils showing the importance of their granulometric fractions and oxides to the attenuation of the radiation.

Ab Initio Quantum Mechanical Studies of 1,2-, 1,3-Dioxetanes and 1,3-Cyclodisiloxane; Energetics, Molecular Structures, Vibrational Frequencies (1,2-, 1,3-dioxetanes, 그리고 1,3-cyclodisiloxane의 분자구조, 에너지와 진동주파수에 대한 순 이론 양자 역학적 연구)

  • Choi Kun-Sik Choi;Seung-Joon Kim
    • Journal of the Korean Chemical Society
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    • v.47 no.4
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    • pp.325-333
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    • 2003
  • The geometrical parameters, vibrational frequencies, and relative energies for 1,2-, 1,3-dioxetanes, and 1,3-cyclodisiloxane have been investigated using high level ab initio quantum mechanical techniques with large basis sets. The geometries have been optimized at the self-consistent field(SCF), the single and double excitation configuration interaction(CISD), the coupled cluster with single and double excitation(CCSD), and the CCSD with connected triple excitations[CCSD(T)] levels of theory. The highest level of theory employed in this study is TZ2P CCSD(T). Harmonic vibrational frequencies and IR intensities are also determined at the SCF level of theory with various basis sets and confirm that all the optimized geometries are true minima. Also zero-point vibrational energies have been considered to predict the dimerization energies for 1,2- and 1,3-isomers.

Studies on Rheological Properties and Cure Behaviors of Difunctional Epoxy/Biodegradable Poly(butylene succinate) Blends (2관능성 에폭시/생분해성 폴리부틸렌 숙시네이트 블렌드의 유변학적 특성 및 경화거동에 관한 연구)

  • 박수진;김승학;이재락;민병각
    • Composites Research
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    • v.15 no.6
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    • pp.8-15
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    • 2002
  • In this work, the effect of biodegradable poly(butylene succinate)(PBS) in difunctional epoxy(21:P) resin was investigated in terms of rheological properties, cure kinetics, thermal stabilities, and mechanical interfacial properties. Rheological properties of the blend system were measured under isothermal condition using a rheometer. Cross-linking activation energies($\textrm{E}_c$) were determined from the Arrhenius equation based on gel time and curing temperature. The $\textrm{E}_c$ was increased in the presence of 10 wt% PBS as compared with neat 2EP. From the DSC results of the blends, the cure activation energies($\textrm{E}_a$) showed a similar behavior with $\textrm{E}_c$ due to the increased intermolecular interaction between 2EP and PBS. The decomposed activation energies($\textrm{E}_t$) for the thermal stability derived from the integral method of Horowitz-Metzger equation, were also increased in 10 wt% PBS. In addition, 20 wt% PBS showed the highest critical stress intensity factor($\textrm{E}_{IC}$). which was explained by increasing the fracture toughness of the 2EP/PBS blend systems.

Studies on Cure Behavior and Rheological Properties of Tetrafunctional Epoxy/Biodegradable MAP Blends (4관능성 에폭시/생분해성 MAP 블렌드의 경화 거동 및 유변학적 특성에 관한 연구)

  • 박수진;김승학;이재락;김봉섭;홍성원
    • Polymer(Korea)
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    • v.26 no.6
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    • pp.767-777
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    • 2002
  • In this work, biodegradable modified aliphatic polyester (MAP) in tetrafunctional epoxy (4EP) resin was investigated in terms of cure kinetics, thermal stabilities, rheological properties, and mechanical interfacial properties. DSC results of the blends show that the cure activation energies (E$\_$a/) were increased in 10 wt% of MAP compared with neat 4EP, due to the increasing intermolecular interaction between 4EP and MAP. The decomposed activation energies (E$\_$t/) derived from Coats-Redfern method, were increased within the 10∼30 wt% composition range of MAP contents, resulting from increasing the cross-linking density of the blend system. Rheological properties of the blend system were investigated under isothermal condition using a rheometer. Cross-linking activation energies (E$\_$c/) were determined from the Arrhenius equation based on gel time and curing temperature. As a result, the E$\_$c/ showed a similar behavior with E$\_$a/. The fracture toughness (K$\_$IC/) of the mechanical interfacial properties was discussed in semi-IPN behaviors of the casting specimen.

Recent progress in the theoretical understanding of relativistic electron scattering and precipitation by electromagnetic ion cyclotron waves in the Earth's inner magnetosphere

  • Lee, Dae-Young
    • Journal of Astronomy and Space Sciences
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    • v.36 no.2
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    • pp.45-60
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    • 2019
  • The Earth's outer radiation belt has long received considerable attention mainly because the MeV electron flux in the belt varies often dramatically and at various time scales. It is now widely accepted that the wave-particle interaction is one of the major mechanisms responsible for such flux variations. The wave-particle interaction can accelerate electrons to MeV energies, explaining the observed flux increase events, and can also scatter the electrons' motion into the loss cone, resulting in atmospheric precipitation and thus contributing to flux dropouts. In this paper, we provide a review of the current state of research on relativistic electron scattering and precipitation due to the interaction with electromagnetic ion cyclotron (EMIC) waves in the inner magnetosphere. The review is intended to cover progress made over the last ~15 years in the theory and simulations of various issues, including quasilinear resonance diffusion, nonlinear interactions, nonresonant interactions, effects of finite normal angle on pitch angle scattering, effects due to rising tone emission, and ways to scatter near-equatorial pitch angle electrons. The review concludes with suggestions of a few promising topics for future research.

A Study on the Hydrated and Dehydrated $Mn^{2+}$-Exchanged Zeolite A ($Mn^{2+}$-치환 제올라이트 A 의 수화 및 탈수 구조에 관한 연구)

  • Jong Yul Park;Yang Kim;Un Sik Kim;Sang Gu Choi
    • Journal of the Korean Chemical Society
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    • v.33 no.6
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    • pp.623-632
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    • 1989
  • The positions and interaction energies of framework atoms and water molecules of $Mn^{2+}$-exchanged zeolite A were calculated using some potential energy functions and an optimization program. The sum of interaction energies of framework atoms in dehydrated $Mn_{4,5}Na_3-A$ was approximately the same as those of thermally stable $Ca^{2+}$-or $Mg^{2+}$-exchanged zeolite A. Since $Mn^{2+}$ ions can form good coordination bonds with framework oxygens even in dehydrated state, $Mn^{2+}$-exchanged zeolite A is considered to be thermally stable. The optimized positions of framework atoms and ions in this work are agreed well with the crystallographic data. Three groups of water molecules are found in hydrated $Mn^{2+}$-exchanged zeolite A; W(I) group of water molecules having only hydrogen bonds, W(II) group coordinated to $Na^+$ ion, and W(III) group coordinated to $Mn^{2+}$ ion. The average binding energy of each group of water molecules decrease in the order of W(III) > W(II) > W(I). The activation energies in the dehydration reaction of each group of water molecules increased in accordance with their binding energy.

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Generalized Integral Hellmann-Feynam Theorem and Configuration Interaction in Crystal Field Theory (광의의 Integral Hellmann-Feynman Theorem과 결정장론에서의 배치간 작용의 효과)

  • Ho Jing Kim
    • Journal of the Korean Chemical Society
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    • v.20 no.3
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    • pp.198-205
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    • 1976
  • The integral Hellmann-Feynman Theorem of Parr is generalized to give a full significance to the off-diagonal form, and certain aspects of it are discussed. By use of the generalized form of the theorem, effects of configuration interaction to the crystal field theory are examined, taking perturbation energies of all order collectively into account. Thus, it is shown that there do not exist, especially when the field is strong, the radial integral which is common to all states characterized by ${\Gamma}$, S and m, and could be parametrized. If, however, one restricts the perturbing excited states only to those angularly undistorted and radially equally distorted, there results simple scaling of the crystal field parameter 10 Dq and Condon-Slater parameter $F^n$ defined within the framework of the classical crystal field theory.

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Short-duration Electron Precipitation Studied by Test Particle Simulation

  • Lee, Jaejin;Kim, Kyung-Chan;Lee, Jong-Gil
    • Journal of Astronomy and Space Sciences
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    • v.32 no.4
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    • pp.317-325
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    • 2015
  • Energy spectra of electron microbursts from 170 keV to 340 keV have been measured by the solid-state detectors aboard the low-altitude (680 km) polar-orbiting Korean STSAT-1 (Science and Technology SATellite). These measurements have revealed two important characteristics unique to the microbursts: (1) They are produced by a fast-loss cone-filling process in which the interaction time for pitch-angle scattering is less than 50 ms and (2) The e-folding energy of the perpendicular component is larger than that of the parallel component, and the loss cone is not completely filled by electrons. To understand how wave-particle interactions could generate microbursts, we performed a test particle simulation and investigated how the waves scattered electron pitch angles within the timescale required for microburst precipitation. The application of rising-frequency whistler-mode waves to electrons of different energies moving in a dipole magnetic field showed that chorus magnetic wave fields, rather than electric fields, were the main cause of microburst events, which implied that microbursts could be produced by a quasi-adiabatic process. In addition, the simulation results showed that high-energy electrons could resonate with chorus waves at high magnetic latitudes where the loss cone was larger, which might explain the decreased e-folding energy of precipitated microbursts compared to that of trapped electrons.