• Title/Summary/Keyword: b-y Ions

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Full Geometry Optimizations of Bond-Stretch Isomers of C202+ Fullerene Dication by the Hybrid Density Functional B3LYP Methods

  • Lee, Ji-Hyun;Lee, Chang-Hoon;Park, Sung-S.;Lee, Kee-Hag
    • Bulletin of the Korean Chemical Society
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    • v.32 no.1
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    • pp.277-280
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    • 2011
  • We studied the relative stability and atomic structure of five $C_{20}^{2+}$ isomers obtained by two-electron ionization of a $C_{20}$ cage (the smallest fullerene). All the isomers are bond-stretch isomers, i.e., they differ in bond length. In particular, in one of the isomers with Ih symmetry, all the bond lengths are equal. Full geometry optimizations of the dipositive ion $C_{20}^{2+}$ were performed using the hybrid density functional (B3LYP/6-31G(d)) methods. All isomers were found to be true minima by frequency analysis at the level of B3LYP/6-31G(d) under the reinforced tight convergence criterion and a pruned (99,590) grid. The zero-point correction energy for the cage bond-stretch isomers was in the increasing order $D_{2h}<C_{2h}<C_2<T_h<I_h$ of $C_{20}^{2+}$. The energy difference among the isomers of cage dipositive ions was less than that among neutral cage isomers. Our results suggest that these isomers show bond-stretch isomerism and that they have an identical spin state and an identical potential energy curve. Although the predominant electronic configurations of the isomers are similar, the frontier orbital characteristics are different, implying that we could anticipate an entirely different set of characteristic chemical reactions for each type of HOMO and LUMO.

A Study on the Effect of the Kinds and Replacement Ratios of Mineral Admixtures on the Development of Chloride Invasion Resistance Property of Concrete Immersed in Salt Water (혼화재 종류 및 치환율이 염수에 침지한 콘크리트의 내염성능 향상에 미치는 영향에 관한 연구)

  • Yoo Jae-Kang;Kim Dong-Seuk;Park Sang-Joon;Won Chul
    • Proceedings of the Korean Institute of Building Construction Conference
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    • v.y2004m10
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    • pp.71-76
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    • 2004
  • This paper investigate that the effect of the concrete containing mineral admixtures(pozzolanic materials such as fly-ash, ground granulated blast-furnace slag, silica fume and meta kaolin) on the resistance properties to chloride ion invasion. The purposed testing procedure was applied to the concrete added mineral admixtures for $3\sim4$ replacement ratios under W/B ratios ranged from 0.40 to 0.55. Specimens were immersed in $3.6\%$ NaCl solution for 330 days, and penetration depth, water soluble chloride contents and acid soluble chloride contents were measured in 28, 91, 182 and 330 days. Then, diffusion coefficient were calculated using total chloride contents. As a results. the kinds of mineral admixture and replacement ratios had a great effect on the resistance property of the concrete to chloride ion invasion compared with the plain concrete. And the optimal replacement ratios of mineral admixture had a limitation for each admixtures. The amount of acid soluble chloride ions and water soluble chloride ions were varied with the kinds of mineral admixtures and the penetration depth from the concrete skin. Chloride diffusion coefficient of each concretes decreased with the time elapsed. and the diffusion coefficients of the concrete immersed salt water for 330 days had a establishment with the compressive strength measured before immersing.

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THEORY AND SIMULATION OF BROADBAND ELECTROSTATIC NOISE IN THE MAGNETOTAIL

  • Kim, S.Y.
    • Journal of Astronomy and Space Sciences
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    • v.11 no.2
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    • pp.250-272
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    • 1994
  • Various plasma instabilities driven by the ion beams have been proposed in order to explain the broadband electrostatic noise (BEN) in the earth's geomagnetic tail. Ion acoustic, ion-ion two stream, and electron acoustic instabilities have been proposed. Here we consider a theoretical investigation of the generation of BEN by cold streaming ion beams in the earth's magnetotail. Linear theory analysis and particle simulation studies for the plasma sheet, which consists of warm electrons and ions as well as cold streaming ion beams, have been done. Both beam-ion acoustic and ion-ion two stream instabilities easily occur when the beam and warm electron temperature ratio, $T_b/T_e$ is small enough. The numerical simulation results confirm the existence of broadband electrostatic noise whose frequency is ranged from $\omega$=0 to $\omega$$\omega_{pe}$.

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Measurement of the negative ion mobility of $SF_6$ gas ($SF_6$ 기체중에서의 음이온 이동도 측정)

  • Baek, Y.H.;Kim, J.S.;Bae, S.D.;Koo, B.J.
    • Proceedings of the KIEE Conference
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    • 1988.11a
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    • pp.249-251
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    • 1988
  • In this paper, the negative ion mobility of $SF_6$ is determined using as a negative ion detector the burst pulse which is triggered in a positive point-plane gap by electrons detached from negative ions near the anode point. The result obtained for the negative ion mobility for zero field at atmospheric pressure is $0.57cm^2v^{-1}s^{-1}$.

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Crystal Growth of Nd:YAG for 1.06$\mu m$ Lasers

  • Yu, Y.M.;Jeoung, S.J.;Koh, J.C.;Ryu, B.H.
    • Proceedings of the Korea Association of Crystal Growth Conference
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    • 1998.06a
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    • pp.165-167
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    • 1998
  • Nd:YAG crystals were grown by Horizontal Bridgman method. The effects of sliding rate (growth rate) of Molydbenum container, growth atmosphere and concentration of Neodymium ions on crystal qualities were investigated. The size of the crystals grown was up to 150-200 mm in length, 70 mm in width and 25-35 mm in thickness. Crystals grown under the optimum conditions were violet, transparent and could not be observed any macroscopic defects. Under the polarizing microscopoc observations with crossed polar, striations, {211} facets and inclusions were detected. With the grown crystals, prototypes of laser rods for 1.06$\mu$m laser application were manufactured and then characterized. As a result, we can get high quality of Nd:YAG laser rods with <111> and <110> axis, 63 mm in length and6.3 mm in diameter.

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A Study on the Relationships between Substrate Bias Potential and Ion Energy Distributions (이온 플레이팅에서 기판 BIAS 전위와 이온 에너지 분포와의 상관관계 연구)

  • Sung, Y.M.;Shin, J.H.;Son, J.B.;Cho, J.S.;Park, C.H.
    • Proceedings of the KIEE Conference
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    • 1995.11a
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    • pp.472-474
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    • 1995
  • A Sputter ion Plating(SIP) system with a r.f. coil electrode and the Facing Target Sputter(FTS) source was designed for high-quality thin film formation. The rf discharge was combined with DC facing target sputtering in order to enhance ionization degree of a sputtered atoms. The energy of ions incident on the substrate depended on the health potential of DC biased substrate. The mean impact ion energy increased with negative bias voltage and rf power. The adhesive force of the TiN film formed was in the range of 30$\sim$50N, and markedly influenced by substrate bias voltage.

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The frequency and magnetic characteristics of YIG with the variation of $Al_2O_3$ additions ($Al_2O_3$조성변화에 따른 YIG의 주파수 및 자기특성)

  • 홍기원;김명호;장경욱;이준웅
    • Electrical & Electronic Materials
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    • v.8 no.6
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    • pp.787-794
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    • 1995
  • To improvement the magnetic and frequency properties of YIG(Yttrium-Iron Garnet) in microwave region, it is investigated that the effect of $Al^{3+}$ ions on magnetic and frequency characteristics of YIG, using samples of basic YIG composition( $Y_{3}$F $e_{5}$ $O_{l2}$) added with A1$_{2}$ $O_{3}$ from 0 to 2.5 [mol%]. The measurment is conducted mainly for the structural properties and magnetical properties. The structural properties is measured using SEM(Scanning Electro Microscope), EDX(Energy-dispersive X-ray spectrometer) and XRD(X-ray diffraction equipment). The magnetical properties is measured with B-H curve tracer and impedance analyzer. As a result, it is confin-ned that the effect of eddy current loss is minimized while maintaining high saturation flux density of YIG, when YIG is added with 0.5 [mol%] of A1$_{2}$ $O_{3}$.>.>.

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State-of-the-art in Quantum Computing Software (양자컴퓨팅 소프트웨어 최신 기술 동향)

  • Cho, E.Y.;Kim, Y.C.;Jung, H.B.;Cha, G.I.
    • Electronics and Telecommunications Trends
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    • v.36 no.6
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    • pp.67-77
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    • 2021
  • Since Richard Feynman presented the concept of quantum computers, quantum computing have been identified today overcoming the limits of supercomputing in various applications. Quantum hardware has steadily developed into 50 to hundreds of qubits of various quantum hardware technologies based on superconductors, semiconductors, and trapped ions over 40 years. However, it is possible to use a NISQ (Noisy Intermediate Scale Quantum) level quantum device that currently has hardware constraints. In addition, the software environment in which quantum algorithms for problem solving in various applications can be executed is pursuing research with quantum computing software such as programming language, compiler, control, testing and verification. The development of quantum software is essential amid intensifying technological competition for the commercialization of quantum computers. Therefore, this paper introduces the trends of the latest technology, focusing on quantum computing software platforms, and examines important software component technologies.

Effects of Surface Characteristics of TiO2 Nanotublar Composite on Photocatalytic Activity (TiO2 복합 광촉매의 표면 특성과 광촉매 효율)

  • Lee, Jong-Ho;Youn, Jeong-Il;Kim, Young-Jig;Oh, Han-Jun
    • Korean Journal of Materials Research
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    • v.24 no.10
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    • pp.556-564
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    • 2014
  • To synthesize a high-performance photocatalyst, N doped $TiO_2$ nanotubes deposited with Ag nanoparticles were synthesized, and surface characteristics, electrochemical behaviors, and photocatalytic activity were investigated. The $TiO_2$ nanotubular photocatalyst was fabricated by anodization; the Ag nanoparticles on the $TiO_2$ nanotubes were synthesized by a reduction reaction in $AgNO_3$ solution under UV irradiation. The XPS results of the N doped $TiO_2$ nanotubes showed that the incorporated nitrogen ions were located in interstitial sites of the $TiO_2$ crystal structure. The N doped titania nanotubes exhibited a high dye degradation rate, which is effectively attributable to the increase of visible light absorption due to interstitial nitrogen ions in the crystalline $TiO_2$ structure. Moreover, the precipitated Ag particles on the titania nanotubes led to a decrease in the rate of electron-hole recombination; the photocurrent of this electrode was higher than that of the pure titania electrode. From electrochemical and dye degradation results, the photocurrent and photocatalytic efficiency were found to have been significantly affected by N doping and the deposition of Ag particles.

Synthesis and photoluminescence of Ca3Si3O8F2: Ce4+, Eu3+, Tb3+ phosphor

  • Suresh, K.;PoornachandraRao, Nannapaneni V.;Murthy, K.V.R.
    • Advances in materials Research
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    • v.3 no.4
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    • pp.227-232
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    • 2014
  • $Ce^{4+}$, $Eu^{3+}$, $Tb^{3+}$ co-doped $Ca_3Si_3O_8F_2$ phosphor was synthesized via solid state reaction method using $CaF_2$, $CaCO_3$ and $SiO_2$ as raw materials for the host and $Eu_2O_3$, $CeO_2$, and $Tb_4O_7$ as activators. The luminescent properties of the phosphor was analysed by spectrofluorophotometer at room temperature. The effect of excitation wavelengths on the luminescent properties of the phosphor i.e. under near-ultraviolet (nUV) and visible excitations was investigated. The emission peaks of $Ce^{4+}$, $Eu^{3+}$, $Tb^{3+}$ co-doped $Ca_3Si_3O_8F_2$ phosphor lays at 480(blue band), 550(green band) and 611nm (red band) under 380nm excitation wavelength, attributed to the $Ce^{4+}$ ion, $Tb^{3+}$ ion and $Eu^{3+}$ ions respectively. The results reveal that the phosphor emits white light upon nUV (380nm) / visible (465nm) illumination, and a red light upon 395nm / 535nm illumination. RE ions doped $Ca_3Si_3O_8F_2$ is a promising white light phosphor for LEDs. The emission colours can be seen using Commission international de l'eclairage (CIE) co-ordinates. A single host phosphor emitting different colours under different excitations indicates that it is a potential phosphor having applications in many fields.