• Title/Summary/Keyword: density functional method

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Image Analysis of the Luster of Fabrics with Modified Cross-section Fibers

  • Shin Kyung In;Kim Seong Hun;Kim Jong Jun
    • Fibers and Polymers
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    • v.6 no.1
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    • pp.82-88
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    • 2005
  • We have investigated the luster of modified cross-sectional fiber fabrics as one of the essential quality estimates for clothing development. We have confirmed an objective evaluation method, and have determined the experimental luster char­acteristics of modified cross-section fibers. The cross-section of the fibers in a fabric affects the appearance of a textile. We used the image analysis method to investigate the luster to determine the critical factors influencing the appearance of modi­fied cross-section fiber fabrics. For similarly structured textiles in a component fabric, clear differences were observed in the fabric weave, density, percentage, and total area of blobs, which is image region. Color played a decisive role in the luster of the textiles, and luster was not significantly influenced by the modified cross-section fabric weave. In addition, the degree of luster did not increase in the order plain to twill to satin for modified cross-sectional fiber fabrics. All the split-type microfi­bers exhibited higher numerical luster values (percentage of pixels, and number and total area of blobs) than sea-island microfibers did. The degree of luster of the modified cross-sectional fiber fabrics was not high at specular reflection angles.

Use of Stable Isotope Probing in Selectively Isolating Target Microbial Community Genomes from Environmental Samples for Enhancing Resolution in Ecotoxicological Assessment

  • Park, Joonhong;Congeevaram, Shankar;Ki, Dong-Won;Tiedje, James M.
    • Molecular & Cellular Toxicology
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    • v.2 no.1
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    • pp.11-14
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    • 2006
  • In this study we attempted to develop a novel genomic method to selectively isolate target functional microbial genomes from environmental samples. For this purpose, stable isotope probing (SIP) was applied in selectively isolating organic pollutant-assimilating populations. When soil microbes were fed with $^{13}C-labeled $ biphenyl, biphenyl-utilizing cells were incorporated with the heavy carbon isotope. The heavy DNA portion was successfully separated by CsCl equilibrium density gradient. And the diversity in the heavy DNA was sufficiently reduced, being suitable for the current DNA microarray techniques to detect biphenyl-utilizing populations in the soil. In addition, we proposed a new way to get more genetic information by combining this SIP method with selective metagenomic approach. The increased selective power of these new DNA isolation methods will be expected to provide a good quality of new genetic information, which, in turn, will result in development of a variety of biomarkers that may be used in assessing ecotoxicology issues including the impacts of organic hazards, and antibiotic-resistant pathogens on human and ecological systems.

Surface Treatment of Multi-walled Carbon Nanotubes for Increasing Electric Double-layer Capacitance (다중벽 탄소나노튜브의 표면처리에 따른 전기이중층 커패시터의 특성)

  • Kim, Ji-Il;Kim, Ick-Jun;Park, Soo-Jin
    • Journal of the Korean Chemical Society
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    • v.54 no.1
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    • pp.93-98
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    • 2010
  • In this work, the electrochemical properties of surface treated multi-walled carbon nanotubes (MWNTs) were studied. Nitrogen and oxygen functional groups of the MWNTs were introduced by urea and acidic treatment, respectively. The surface functional groups of the MWNTs were confirmed by X-ray photoelectron spectroscopy (XPS) measurements and zeta-potential method. The characteristics of $N_2$ adsorption isotherm at 77 K, specific surface area, and total pore volumes were investigated by BET eqaution, BJH method and t-plot method. Electrochemical properties of the functionalized MWNTs were accumulated by cyclic voltammetry at the scan rates of 50 $mVs^{-1}$ and 100 $mVs^{-1}$ in 1M $H_2SO_4$ as electrolytes. As a result, the functionalized MWNTs led to an increase of capacitance as compared with pristine MWNTs. It was found that the increase of capacitance for urea treated MWNTs was attributed to the increase in density of surface functional groups, resulting in improving the wettability between electrode materials and charge species.

An Architecture for IEEE 802.11n LDPC Decoder Supporting Multi Block Lengths (다중 블록길이를 지원하는 IEEE 802.11n LDPC 복호기 구조)

  • Na, Young-Heon;Shin, Kyung-Wook
    • Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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    • 2010.05a
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    • pp.798-801
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    • 2010
  • This paper describes an efficient architecture for LDPC(Low-Density Parity Check) decoder, which supports three block lengths (648, 1,296, 1,944) of IEEE 802.11n standard. To minimize hardware complexity, the min-sum algorithm and block-serial layered structure are adopted in DFU(Decoding Function Unit) which is a main functional block in LDPC decoder. The optimized H-ROM structure for multi block lengths reduces the ROM size by 42% as compared to the conventional method. Also, pipelined memory read/write scheme for inter-layer DFU operations is proposed for an optimized operation of LDPC decoder.

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Synthesis of Alkylenediaminoalkyl-bis-Phosphonic Acid Derivatives (알킬렌디아미노알킬-비스-포스폰산 유도체의 합성)

  • Chung, Yeong-Jin;Jin, Eui
    • Journal of the Korean Applied Science and Technology
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    • v.30 no.1
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    • pp.1-8
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    • 2013
  • Four kinds of new alkylenediaminoalkyl-bis-phosphonic acid derivatives with alkylenediaminoalkyl functional groups in the molecule were synthesized and their smoke density(Ds) were tested. These alkylenediaminoalkyl-bis-phosphonic acid derivatives were prepared in yields(76-97.3%) by one step reaction of the phosphorus acid with amine and aldehyde. Smoke density was measured by the method of ASTM E 662. The values of smoke density were obtained from 234.7 to 437.9. The smoke density of compounds with two phosphonic acid structures were increased more than that of compounds with one phosphonic acid structure. In addition, there was correlation between the smoke density and the number of nitrogen atoms in amino group attached to mono- or di-phosphonic acids group.

Finite Element Analysis of Densification of Mg Powders during Equal Channel Angular Pressing: Effect of Sheath (유한요소법을 이용한 등통로각압출 공정의 마그네슘 분말 고형화 거동 해석: 피복재 효과)

  • Yoon, Seung-Chae;Kim, Taek-Soo;Kim, Hyoung-Seop
    • Journal of Powder Materials
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    • v.16 no.2
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    • pp.85-90
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    • 2009
  • Magnesium and its alloys are attractive as light weight structural/functional materials for high performance application in automobile and electronics industries due to their superior physical properties. In order to obtain high quality products manufactured by the magnesium powders, it is important to control and understand the densification behavior of the powders. The effect of the sheath surrounding the magnesium powders on the plastic deformation and densification behavior during equal channel angular pressing was investigated in the study by experimental and the finite element methods. A modified version of Lee-Kim's plastic yield criterion, notably known as the critical relative density model, was applied to simulate the densification behavior of magnesium powders. In addition, a new approach that extracts the mechanical characteristics of both the powder and the matrix was developed. The model was implemented into the finite element method, with which powder compaction under equal channel angular pressing was simulated.

Electronic transport properties of linear carbon chains encapsulated inside single-walled carbon nanotubes

  • Tojo, Tomohiro;Kang, Cheon Soo;Hayashi, Takuya;Kim, Yoong Ahm
    • Carbon letters
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    • v.28
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    • pp.60-65
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    • 2018
  • Linear carbon chains (LCCs) encapsulated inside the hollow cores of carbon nanotubes (CNTs) have been experimentally synthesized and structurally characterized by Raman spectroscopy and transmission electron microscopy. However, in terms of electronic conductivity, their transportation mechanism has not been investigated theoretically or experimentally. In this study, the density of states and quantum conductance spectra were simulated through density functional theory combined with the non-equilibrium Green function method. The encapsulated LCCs inside (5,5), (6,4), and (9,0) single-walled carbon nanotubes (SWCNTs) exhibited a drastic change from metallic to semiconducting or from semiconducting to metallic due to the strong charge transfer between them. On the other hand, the electronic change in the conductance value of LCCs encapsulated inside the (7,4) SWCNT were in good agreement with the superposition of the individual SWCNTs and the isolated LCCs owing to the weak charge transfer.

Simulation of 27Al MQMAS NMR Spectra of Mordenites Using Point Charge Model with First Layer Only and Multiple Layers of Atoms

  • Chae, Seen-Ae;Han, Oc-Hee;Lee, Sang-Yeon
    • Bulletin of the Korean Chemical Society
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    • v.28 no.11
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    • pp.2069-2074
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    • 2007
  • The 27Al multiple quantum magic angle spinning (MQMAS) nuclear magnetic resonance (NMR) spectra of mordenite zeolites were simulated using the point charge model (PCM). The spectra simulated by the PCM considering nearest neighbor atoms only (PCM-n) or including atoms up to the 3rd layer (PCM-m) were not different from those generated by the Hartree-Fock (HF) molecular orbital calculation method. In contrast to the HF and density functional theory methods, the PCM method is simple and convenient to use and does not require sophisticated and expensive computer programs along with specialists to run them. Thus, our results indicate that the spectral simulation of the 27Al MQMAS NMR spectra obtained with the PCM-n is useful, despite its simplicity, especially for porous samples like zeolites with large unit cells and a high volume density of pores. However, it should be pointed out that this conclusion might apply only for the atomic sites with small quadrupole coupling constants.

The Effect of Induced Multipoles on the Fifth-order Raman Response

  • Jansen, Thomas I.C.;Duppen, Koos;Snijders, Jaap G.
    • Bulletin of the Korean Chemical Society
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    • v.24 no.8
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    • pp.1102-1106
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    • 2003
  • In our previous work we developed the Finite Field method in order to calculate the fifth-order Raman response. The method was applied to calculate various polarization components of the two-dimensional response of liquid $CS_2$. So far, all calculations relied on the dipole-induced dipole. Accurate time-dependent density functional theory calculations have shown that this model has big discrepancies, when molecules are close together as in the liquid. We now report results of investigations on the importance of multipole and electron overlap effects on the polarizability and the fifth-order Raman response. It is shown that these collision effects, especially the induced multipoles, are crucial in the description of the fifth-order response. The impact is found to be especially pronounced for the χ_{mmzzzz}^{(5)}$response that is solely due to interaction induced effects. The calculated response will be compared with various experimental results.

Technical Trend of TSV(Through Silicon Via) Filling for 3D Wafer Electric Packaging (3D 웨이퍼 전자접합을 위한 관통 비아홀의 충전 기술 동향)

  • Ko, Young-Ki;Ko, Yong-Ho;Bang, Jung-Hwan;Lee, Chang-Woo
    • Journal of Welding and Joining
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    • v.32 no.3
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    • pp.19-26
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    • 2014
  • Through Silicon Via (TSV) technology is the shortest interconnection technology which is compared with conventional wire bonding interconnection technology. Recently, this technology has been also noticed for the miniaturization of electronic devices, multi-functional and high performance. The short interconnection length of TSV achieve can implement a high density and power efficiency. Among the TSV technology, TSV filling process is important technology because the cost of TSV technology is depended on the filling process time and reliability. Various filling methods have been developed like as Cu electroplating method, molten solder insert method and Ti/W deposition method. In this paper, various TSV filling methods were introduced and each filling materials were discussed.