• Title/Summary/Keyword: ground state properties

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Numerical Study on Properties of Metals and Expansion of Metal Hydrides (금속의 특성 및 금속수소화물의 팽창에 관한 수치해석)

  • Jung, Y.G.;Park, K.S.
    • Transactions of the Korean hydrogen and new energy society
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    • v.15 no.4
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    • pp.257-265
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    • 2004
  • Numerical analysis, as EAM(Embedded Atom Method), in the atomic level is necessary to analyze the relation between the hydrogen and hydrogen absorption metals. EAM established on density functional theory was developed as a new means for calculating various properties and phenomena of realistic metal systems. In this study, we had constructed the EAM program from constitutive formulae and parameters of the hydrogen, nickel and palladium for the purpose of predicting the expansion behavior on hydrogen absorbing. In result, not only the ground state properties of metals but also lattice constants and the volume expansion ratio of metal hydrides show good agreement with Daw's data and experiment data.

Synthetic deterioration assessment of the five storied stone pagoda in the Mooryangsa temple, Buyeo, Korea (부여 무량사오층석탑의 종합 풍화훼손도 평가)

  • Song, Chi-young;Lee, Mi-hye;Jo, Young-hoon;Lee, Chan-hee
    • 보존과학연구
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    • s.27
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    • pp.103-128
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    • 2006
  • Rock properties of the five storied stone pagoda in the Mooryangsa temple are consist mainly in medium grained biotite granite with partly pegmatite veinlet. A part of the foundation stone is substituted in identical rock properties of the pagoda. The upper part of the pagoda is used purples and stone, gray shale and granodiorite. The most serious problem of the pagoda is structual instability from centered subsidence of the ground in northwestern direction remarkably. In southern view, the upper part of the pagoda also is slanted a little in right, it will need reinforcement by engineering method for structual stability of the stone pagoda. Weathering states of the stone pagoda are affected results of natural and artifical factors due to the surface-exfoliation, fine-fissure, crack, falling offs. On the rock surface of the pagoda, ferro-manganese hydroxide compounds are coated along the rainpathway. Also, bryophyte range concentration spreads raindrops face of roof rock properties, which areadd biological weathering effects. For the synthetic evaluation of the deterioration state, we make detailed surface weathering maps, it will be contribute to investigation for future conservation schemes.

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Flowability and mechanical characteristics of self-consolidating steel fiber reinforced ultra-high performance concrete

  • Moon, Jiho;Youm, Kwang Soo;Lee, Jong-Sub;Yun, Tae Sup
    • Steel and Composite Structures
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    • v.43 no.3
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    • pp.389-401
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    • 2022
  • This study investigated the flowability and mechanical properties of cost-effective steel fiber reinforced ultra-high performance concrete (UHPC) by using locally available materials for field-cast application. To examine the effect of mixture constituents, five mixtures with different fractions of silica fume, silica powder, ground granulated blast furnace slag (GGBS), silica sand, and crushed natural sand were proportionally prepared. Comprehensive experiments for different mixture designs were conducted to evaluate the fresh- and hardened-state properties of self-consolidating UHPC. The results showed that the proposed UHPC had similar mechanical properties compared with conventional UHPC while the flow retention over time was enhanced so that the field-cast application seemed appropriately cost-effective. The self-consolidating UHPC with high flowability and low viscosity takes less total mixing time than conventional UHPC up to 6.7 times. The X-ray computed tomographic imaging was performed to investigate the steel fiber distribution inside the UHPC by visualizing the spatial distribution of steel fibers well. Finally, the tensile stress-strain curve for the proposed UHPC was proposed for the implementation to the structural analysis and design.

Development of fiber reinforced self-compacting concrete (FRSCC): Towards an efficient utilization of quaternary composite binders and fibers

  • Fediuk, Roman;Mosaberpanah, Mohammad A.;Lesovik, Valery
    • Advances in concrete construction
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    • v.9 no.4
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    • pp.387-395
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    • 2020
  • This study has been carried out in two-phases to develop Fiber Reinforced Self-Compacting Concrete (FRSCC) performance. In the first phase, the composition of the quaternary composite binder compromised CEM I 42.5N (58-70%), Rice Husk Ash (25-37%), quartz sand (2.5-7.5%) and limestone crushing waste (2.5-7.5%) were optimized. And in the second phase, the effect of two fiber types (steel brass-plated and basalt) was investigated on the SCC optimized with the optimum CB as disperse reinforcement at 6 different ratios of 1, 1.2, 1.4, 1.6, 1.8, and 2.0% by weight of mix for each type. In this study, the theoretical principles of the synthesis of self-compacting dispersion-reinforced concrete have been developed which consists of optimizing structure-formation processes through the use of a mineral modifier, together with ground crushed cement in a vario-planetary mill to a specific surface area of 550 m2 / kg. The amorphous silica in the modifier composition intensifies the binding of calcium hydroxide formed during the hydration of C3S, helps reduce the basicity of the cement-composite, while reducing the growth of portlandite crystals. Limestone particles contribute to the formation of calcium hydrocarbonate and, together with fine ground quartz sand; act as microfiller, clogging the pores of the cement. Furthermore, the results revealed that the effect of fiber addition improves the mechanical properties of FRSCC. It was found that the steel fiber performed better than basalt fiber on tensile strength and modulus of elasticity; however, both fibers have the same performance on the first crack strength and sample destruction of FRSCC. It also illustrates that there will be an optimum percentage of fiber addition.

PL Study on the Oxygen-Plasma-Treated ZnO Thin Film (산소 플라즈마 처리 후 ZnO 박막에 대한 PL 연구)

  • Cho, Jae-Won;Rhee, Seuk-Joo
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.24 no.12
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    • pp.992-995
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    • 2011
  • The optical properties of ZnO thin film, being treated by O-plasma, have been studied using Photoluminescence(PL) spectroscopy with the change of temperature from 10 K to 290 K. Two characteristic peaks were identified at 10 K : 3.357 eV($D^{\circ}X$) and 3.324 eV(TES). The peak of $D^{\circ}X$ is believed to be due to neutral donor bound excitons where the donor is in the ground state. However, the TES(Two Electron Satellite) peak indicates the excited state of the donor(excitation energy was ~30 meV). The donor binding energy was estimated to be 44 meV, which indicates the possible presence of the neutral donor bound excitons at RT. The thermal effect including thermal broadening was identified from temperature evolution of the spectrum. Both the peak intensity and the peak energy have decreased as the temperature increases. As the temperature approaches to RT, the two peak merges into one broad peak, which is considered a combination of multiple peaks having different physical origins.

Structural analysis and photoluminescent study of thin film rhombohedral zinc orthosilicate doped with manganese

  • Yoon, Kyung-Ho;Kim, Joo-Han
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.08a
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    • pp.114-114
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    • 2010
  • In this study, structural properties and photoluminescent characteristics of thin film rhombohedral zinc orthosilicate doped with manganese ($Zn_2SiO_4:Mn$) were investigated. The $Zn_2SiO_4:Mn$ films showed a pronounced absorption edge in the near ultraviolet wavelength region and a high optical transparency in the visible spectral range. The maximum transmittance reached 0.922 at 597 nm, which was very close to the transmittance of the fused quartz substrate alone (0.935). The $Zn_2SiO_4:Mn$ films were composed of rhombohedral polycrystalline grains with random crystallographic orientation. The broad-band photoluminescence emission peaked at around 525 nm was observed from the $Zn_2SiO_4:Mn$ films, which was ascribed to the radiative relaxation from the $^4T_1$ lowest excitation state to $^6A_1$ ground state of 3d5 electrons in divalent manganese ion. The excitation band exhibited a peak maximum at 259 nm in the near ultraviolet region, which was considered to be associated with the charge transfer transition of divalent Mn ion in the $Zn_2SiO_4$ system.

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Relationship between the Molecular Structure and the Absorption Band Shape of Organic Dye (유기색소의 흡수대 형태와 분자구조와의 상관성)

  • Jun, Kun;Gwon, Seon Yeong;Kim, Sung Hoon
    • Textile Coloration and Finishing
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    • v.27 no.4
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    • pp.270-274
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    • 2015
  • Molecules always show broad absorption band envelopes, and this results from the vibrational properties of bonds. The width of an absorption band can have an important influence on the color of a dye. A narrow band imparts a bright, spectrally pure color to the dye, whereas a broad band can give the same hue, but with a much duller appearance. Typically, half-band widths of cyanine dyes are about 25nm compared to value of over 50nm for typical merocyanine dyes. Thus, cyanine dyes are exceptionally bright. The factors influencing the width of an absorption band can be understood with reference to the Morse curves. The width of the absorption band depends on how closely the bond order of the molecules in the first excited state resembles that in the ground state. We have quantitatively evaluated the "molecular structure-absorption band shape" relationship of dye molecules by means of Pariser-Parr-Pople Molecular Orbital Method(PPP-MO).

The Study on the Physicochemical Properties of Fluid under High Pressure (Ⅱ). The Effect of Pressure and Temperature on the Hexamethyl Benzene-Iodine Charge Transfer Complex in n-Hexane

  • Kwun Oh Cheun;Kim Jeong Rim
    • Bulletin of the Korean Chemical Society
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    • v.6 no.4
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    • pp.186-191
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    • 1985
  • The effect of pressure and temperature on the stabilities of the charge transfer complexes of hexamethyl benzene with iodine in n-hexane has been investigated by UV-spectrophotometric measurements. In this experiment the absorption spectra of mixed solutions of hexamethyl benzene and iodine in n-hexane were measured at 25, 40 and $60^{\circ}C$ under 1,200, 600, 1200 and 1600 bar. The equilibrium constant of the complex formation was increased with pressure while being decreased with temperature raising. Changes of volume, enthalpy, free energy and entropy for the formation of the complexes were obtained from the equilibrium constants. The red shift at higher pressure, the blue shift at higher temperature and the relation between pressure and oscillator strength were discussed by means of thermodynamic functions. In comparison with the results in the previous studies, it can be seen that the pressure dependence of oscillator strength has a extremum behavior in durene as the variation of ${\Delta}H$ or ${\Delta}S$ with the number of methyl groups of polymethyl benzene near atmospheric pressure in the previous study. The shift or deformation of the potential in the ground state and in the excited state of the complexes formed between polymethyl benzene and iodine was considered from the correlation between the differences of the electron transfer energies and the differences of free energies of the complex formation for the pressure variation.

Magnetic Properties and Electronic Structure of $Pt_3Ni$ (001), (110) and (111) Surfaces: Density Functional Study

  • Kumar, Sharma Bharat;Kwon, O-Ryong;Odkhuu, Dorj;Hong, Soon-Cheol
    • Proceedings of the Korean Magnestics Society Conference
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    • 2011.06a
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    • pp.129-129
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    • 2011
  • The limited understanding of the surface properties of $Pt_3Ni$ for the oxygen reduction reaction (ORR) in polymer electrolyte membrane fuel cell (PEMFC) has motivated the study of properties and electronic structures of seven layered $Pt_3Ni$ (001), (110), and (111) surfaces. The first principle method based on density functional theory (DFT) is carried out. It is found that the bulk $Pt_3Ni$ has a ferromagnetic ground state with the ordered fcc type L12 structure, which is in good agreement with other results. Non magnetic Pt has the induced magnetic moment due to the strong hybridization between 3d Ni and 5d Pt. The magnetic moment of Pt and Ni enhanced on the surface of each due to surface effect however the magnetic moment of surface Pt in the Pt-segregated Pt3Ni (111) decreased and the magnetic moment of Ni in Ni rich subsurface increased significantly. The calculated d band centers of Pt explain the possibilities for oxygen absorption and play the important roles in altering the catalytic properties. The spin polarized densities of states are presented in order to understand physical properties of Pt in different surfaces in detail.

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Engineering Properties of Sewage Sludge Landfill Ground in Nanji-Do (난지도 하수슬러지 매립지반의 공학적 특성)

  • Song, Young-Suk;Yun, Jung-Mann
    • The Journal of Engineering Geology
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    • v.17 no.1 s.50
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    • pp.125-133
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    • 2007
  • The environmental and geotechnical properties are investigated to the 8th landfill area made of only sewage sludge in Nanji-Do. To do this, the soils are sampled in this area, and leaching tests, heavy metal content tests, and so on are performed to research the environmental properties. As the result of heavy metal content tests, Pb, Zn, Cu, Ni, Cd and Cr were leached from the sewage sludge. Because the leaching concentration of Cu is more than the standard value of California state, Cu content have to bring down during the recycling of the sewage sludge. Meanwhile, a series of tests concerning specific gravity, liquid and plastic limits, compaction, permeability and shear strength is performed to research the geotechnical properties. The sewage sludge is consisted of sand, silt and clay, and is classified into non-organic silt or organic clay with 42.3% of plastic index. As the result of compaction test, it is expected that the compaction effect according to variation of water contents is low relatively because the dry unit weight is low and the curve of compaction forms flatness. Also, as the result of direct shear tests, the cohesion is $0.058kg/cm^2$, and the internal friction angle is $14^{\circ}$. Taking everything into consideration, the various problems are happening in case of recycling the sludge like the cover layer of landfill and so on because the compaction is bad, and the shear strength is low. Also, it is expected that the ground water pollution caused by leaching the heavy metal into the sludge. To do recycling the sewage sludge in this site, supplementary and treatment programs should be prepared.