• Title/Summary/Keyword: Packing Structure

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Computer simulation of agglomeration in colloidal alumina powder suspension (콜로이드성 알루미나 분말 입자의 응집현상의 컴퓨터 시뮬레이션)

  • 김종철;오근호
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.9 no.2
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    • pp.224-230
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    • 1999
  • Agglomeration of colloidal alumina particles in a suspension is simulated. Particles in a suspension have potential energies between them and move to decrease the summation of all the potential energies between particles. The effects of various types of potential curves on particle agglomeration were checked. Strong short range attractive energy without repulsive energy barrier makes small strong clusters with disordered network structure but weak short-range force with big repulsive energy barrier makes big agglomerates with a close packing structure. As particles are agglomerated the potential energy with strong repulsive energy barrier between agglomerates gradually decreases the importance of the repulsive energy barrier and induces a different type of agglomeration behavior.

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Effects of force fields for refining protein NMR structures with atomistic force fields and generalized-Born implicit solvent model

  • Jee, Jun-Goo
    • Journal of the Korean Magnetic Resonance Society
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    • v.18 no.1
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    • pp.24-29
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    • 2014
  • Atomistic molecular dynamics (MD) simulation has become mature enabling close approximation of the real behaviors of biomolecules. In biomolecular NMR field, atomistic MD simulation coupled with generalized implicit solvent model (GBIS) has contributed to improving the qualities of NMR structures in the refinement stage with experimental restraints. Here all-atom force fields play important roles in defining the optimal positions between atoms and angles, resulting in more precise and accurate structures. Despite successful applications in refining NMR structure, however, the research that has studied the influence of force fields in GBIS is limited. In this study, we compared the qualities of NMR structures of two model proteins, ubiquitin and GB1, under a series of AMBER force fields-ff99SB, ff99SB-ILDN, ff99SB-NMR, ff12SB, and ff13-with experimental restraints. The root mean square deviations of backbone atoms and packing scores that reflect the apparent structural qualities were almost indistinguishable except ff13. Qualitative comparison of parameters, however, indicates that ff99SB-ILDN is more recommendable, at least in the cases of ubiquitin and GB1.

Synthesis and Characterization of Biocompatible and Biodegradable Polyesters (II):Crystallization and Biodegradation of Poly (1,4-butanediol succinate) (생체적합성과 생분해성을 갖는 폴리에스테르 중합체의 합성과 특성에 관한 연구(II) : Poly(1, 4-butanediol succinate)의 결정화 및 생분해성)

  • 송대경;성정석
    • Journal of Biomedical Engineering Research
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    • v.16 no.1
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    • pp.9-16
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    • 1995
  • Biodegradable poly (I ,4-butanediol succinate) (PBS) was synthesized from 1,4-butanediol and succinic anhydride. The glass transition temperature of poly (I, 4-butanediol succinate) was revealed at $73^{\circ}C$. The crystallization and cold crystallization of the polymers were investigated as a function of holding time in melt state, cooling rate. reheating, and molecular weight. Chain scission and/or cmsslinking did not occur in the melt state at var.ious holding times. Slower scanning rate can allow more times for nucleation, rearrangement, and packing of the polymer chain, so the onset temperature of crystallization from the melt was increased. PBS crystallized from the melt was found to have spherulitic structure. The degradation behavior of PBS was studied under basic conditions and with microorganisms using the modified ASTM method. In the basic solution. PBS lost up to 85% of its mass within two days. Based upon visual observation, the crystalline structure of films composed of larger molecular weight polymers retained their crystallinity longer than similar structures in low molecular weight samples.

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The Ordered Structures of Poly(styrene-b-4vinylpridine)s

  • Pak, Soo-Young;Sul, Woo-Hwan;Chang, Yun-Jeong
    • Proceedings of the Polymer Society of Korea Conference
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    • 2006.10a
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    • pp.191-191
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    • 2006
  • The structures of the mesophases and their subunits of PS-b-P4VP in a toluene solution were studied by using SAXS, TEM and GIFT methods. The hierarchical structures of PS-b-P4VP, such as the individual micelle, the face-centered cubic (fcc) and body-centered cubic (bcc) structures and the lamellar structure, were identified for the first time. The diameter of the micelle core was ${\sim}80\;%$ of the most extended chain length of the core chain, suggesting that the core chains were quite stretched. The stretched chain in the core caused the core of the micelle to be not homogenous with a higher density at the center than at the outer part. As the concentration level increases, the fcc and both fcc and bcc appear for the packing of the micelles of PS(3.3k)-b-P4VP(4.7K) and PS(12K)-b-P4VP(11.8K), respectively. The lamellar structure was also identified, with a further increase in the concentration for PS(3.3k)-b-P4VP(4.7K). These hierarchical structures were also identified via TEM images.

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Properties of the metallic glass thin films fabricated by multicomponent single alloying target and its applications in various industrial fields

  • Shin, S.Y.;Moon, K.I.
    • Proceedings of the Korean Institute of Surface Engineering Conference
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    • 2015.05a
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    • pp.77-77
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    • 2015
  • Metallic glass alloys having dense packing structure have short range ordered structure with long range homogeneity. Therefore, they can provide complete corrosion protection and unique electrical properties. Recently, metallic glass thin films have received much attention to extend its application fields combining with PVC coating technologies. The metallic glass thin films can change the surface properties of the conventional bulk materials which need anticorrosion properties. However, multi-component alloying targets are required to fabricate the metallic glass thin films because metallic glass alloys contain more than three elements. Recently, many researchers have been reported the properties of the metallic glass thin films synthesized with multi-cathode systems or amorphous target. But, it is difficult to fabricate the large sized sputtering targets for mass production equipment with high toughness and thermal stability. In this study, newly developed sputtering target with glass forming ability and the properties of the metallic glass thin films will be introduced with respect to the various application fields such as bipolar plate in PEM fuel cell and decorative coatings for electric device and construction fields.

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Coordination of an Amino Alcohol Schiff Base Ligand Toward Cd(II)

  • Mardani, Zahra;Hakimi, Mohammad;Moeini, Keyvan;Mohr, Fabian
    • Journal of the Korean Chemical Society
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    • v.63 no.1
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    • pp.29-36
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    • 2019
  • A potentially tetradentate Schiff base ligand, 2-((2-((pyridin-2-ylmethylene)amino)ethyl)amino)ethan-1-ol (PMAE), and its cadmium(II) complex, [$Cd(PMAE)I_2$] (1), were prepared and characterized by elemental analysis, FT-IR, Raman, $^1H$ and $^{13}C$ NMR spectroscopies and single-crystal X-ray diffraction. In the crystal structure of 1, the cadmium atom has a slightly distorted square-pyramidal geometry and a $CdN_3I_2$ environment in which the PMAE acts as an $N_3$-donor. In the crystal packing of the complex, the alcohol and amine groups of the coordinated ligands participate in hydrogen bonding with iodide ions and form $R^2{_2}(14)$ and $R^2{_2}(8)$ hydrogen bond motifs, respectively. In addition to the hydrogen bonds, the crystal network is stabilized by ${\pi}-{\pi}$ stacking interactions between pyridine rings. The thermodynamic stability of the isolated ligand and its cadmium complex along with their charge distribution patterns were studied by DFT and NBO analysis.

The Generation of the Function Calls Graph of an Obfuscated Execution Program Using Dynamic (동적 분석을 이용한 난독화 된 실행 프로그램의 함수 호출 그래프 생성 연구)

  • Se-Beom Cheon;DaeYoub Kim
    • Journal of IKEEE
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    • v.27 no.1
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    • pp.93-102
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    • 2023
  • As one of the techniques for analyzing malicious code, techniques creating a sequence or a graph of function call relationships in an executable program and then analyzing the result are proposed. Such methods generally study function calling in the executable program code through static analysis and organize function call relationships into a sequence or a graph. However, in the case of an obfuscated executable program, it is difficult to analyze the function call relationship only with static analysis because the structure/content of the executable program file is different from the standard structure/content. In this paper, we propose a dynamic analysis method to analyze the function call relationship of an obfuscated execution program. We suggest constructing a function call relationship as a graph using the proposed technique.

An Experimental Study on the Packing Ability of Hardened Cement Paste According to Penetrate by Alkalization Agent (알칼리부여제의 회복에 따른 시멘트 경화체의 충진성에 관한 실험적 연구)

  • 김광기;공민호;박선길;김우재;송병창;정강진
    • Proceedings of the Korea Concrete Institute Conference
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    • 2002.10a
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    • pp.823-828
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    • 2002
  • Concrete used up to date semipermanent architecture material but now day concrete early deterioration emboss social issue because of construction structure and environmental factor. so, many study of deterioration concrete construction improve durability used impregnation alkalization agent. Impregnation alkalization agent deterioration concrete construction spray infiltration or diffusion improve alkali and filler inter minuteness void elaborateness constitution concrete. but many study of harding concrete change inter minuteness void that Is insufficiency also, To study of method recover shape impregnation alkalization agent apply deterioration concrete construction. impregnation alkalization agent infiltration according to test of porosity, premeameter, absorption.

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A Study on the Development of a Cryogenic Air Separation Unit to Produce High Purity Nitrogen (고순도 질소생산용 초저온 공기분리장치 개발 연구)

  • 용평순;문흥만;이성철
    • Progress in Superconductivity and Cryogenics
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    • v.3 no.1
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    • pp.69-73
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    • 2001
  • For developing the cryogenic air separation unit, it requires some technology such as basic process design. equipment design and manufacturing based on the cryogenic physical properties and separation theory. In this study, we developed a process and equipment for producing high purity nitrogen which has the production capacity of 1600N㎥/h under 1 ppm $O_2$ and $H_2O$. Also we found that the number of theoretical plate(NTP) of distillation column was 44 and maximum nitrogen recovery ration of this process was 42% from the process simulation. The performance test was also carried out for the nitrogen recovery ratio and equipment efficiency. The results showed that the optimum nitrogen recovery was 41% and the maximum equipment efficiency was attained.

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다결정 실리콘 Self-align에 의한 바이폴라 트랜지스터의 제작

  • Chae, Sang-Hun;Gu, Jin-Geun;Kim, Jae-Ryeon;Lee, Jin-Hyo
    • ETRI Journal
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    • v.7 no.4
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    • pp.11-14
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    • 1985
  • A polysilicon self-aligned bipolar n-p-n transistor structure is described, which can be used in high speed and high packing density LSI circuits The emitter of this transistor is separated less than $0.4\mum$ with base contact by polysilicon self-align technology. Through all the process, the active region of this device is not damaged. therefore a high performance device is obtained. Using the transistor with $3.0\mum$ design rules, a CML ring oscillator has per-gate minimum propagation delay time of 400 ps at 2.7 mW power consumption condition.

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