• 제목/요약/키워드: Reactive Force

검색결과 208건 처리시간 0.031초

캐티온화제 처리한 면섬유에 대한 반응성 염료의 염색성 (A Study on Dyeing Properties of Cafionicagent Treated Cotton Fibre with Reactive Dye)

  • Jung, Young Jin;Lee, Young Hee;Kim, Kyung Hwan
    • 한국염색가공학회지
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    • 제6권4호
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    • pp.46-53
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    • 1994
  • Polymer cationic agent was prepared by the initial polymerisation of epichlorohydrin followed by amination with diethylamine. Cotton fibre treated with the polymer (6~8% o.w.f.) is highly cationic and exhibit increased substantivity for reactive dyes under neutral to weakly acid conditions. The modified substrate could be dyed with reactive dyes without salt or a little salt from dye bath. The increased concentration of cationic agents resulted in an increase the colour yield. Futhermore, treated cotton has an electropositive surface charge. Adsorption of Reactive dye can be attributed to both van der waals force and electrostatic attraction.

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Introduction to Molecular Dynamic Simulation Employing a Reactive Force Field (ReaxFF) for Simulating Chemical Reactions of SiHx Radicals on Si Surfaces

  • 한상수
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2010년도 제39회 하계학술대회 초록집
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    • pp.93-93
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    • 2010
  • In this talk, I will introduce a reactive force field (ReaxFF) molecular dynamics (MD) simulation. In contrast to common MD simulations with empirical FFs, we can predict chemical reactions (bond breaking and formation) in large scale systems with the ReaxFF simulation where all of the ReaxFF parameters are from quantum mechanical calculations such as density functional theory to provide high accuracy. Accordingly, the ReaxFF simulation provides both accuracy of quantum mechanical calculations and description of large scale systems of atomistic simulations at the same time. Here, I will first discuss a theory in the ReaxFF including the differences from other empirical FFs, and then show several applications for studying chemical reactions of SiHx radicals on Si surfaces, which is an important issue in Si process.

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Initial oxidation process on viinal Si(001) surface: ReaxFF based on molecular dynamics simulation

  • 윤경한;이응관;최희채;황유빈;윤근섭;김병현;정용재
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2011년도 제40회 동계학술대회 초록집
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    • pp.300-300
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    • 2011
  • Si oxidation is a key process in developing silicon devices, such as highly integrated metal-oxide-semiconductor (MOS) transistors and antireflection-coating (ARC) on solar cell substrate. Many experimental and theoritical studies have been carried out for elucidating oxidation processes and adsorption structure using ab initio total energy and electronic structure calcultaions. However, the initial oxidation processes at step edge on vicinal Si surface have not been studied using the ReaxFF reactive force field. In this work, strucutural change, charge distribution of oxidized Si throughout the depth from Si surface were observed during oxidation processes on vicinal Si(001) surface inclined by $10.5^{\circ}$ of miscut angle toward [100]. Adsorption energys of step edge and flat terrace were calculated to compare the oxidation reaction at step edge and flat terrace on Si surface.

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위치결정 스테이지 베이스 진동 모델링 및 저감기법 개발 (Modeling and Countermeasure for Positioning Stage Base Vibration)

  • 박아영;임재곤;홍성욱
    • 한국생산제조학회지
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    • 제19권4호
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    • pp.476-484
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    • 2010
  • Precise positioning stages are often employed for precise machinery. For the purpose of vibration isolation, these precise positioning stages are mounted on a heavy base structure which is supported by compliant springs. Then the base structure is subjected to residual vibration due to the reactive force and vertical moving load induced by the stage motion. This paper investigates the vibration behavior of a positioning stage base and the associated vibration suppression technique. A dynamic model is developed to investigate the base vibration due to the reactive force and moving load effects by the moving stage. An input shaping technique is also developed to suppress the residual vibrations in base structures. Simulations and experiments show that the developed dynamic model adequately represents the base vibration and that the proposed input shaping technique effectively removes the residual vibrations from the positioning stage base.

Sputter 기반의 활성입자빔 증착장비를 이용한 a-C 박막 증착특성 (The depositing characteristics of amorphous carbon thin films by a reactive particle beam assisted sputtering process)

  • 이태훈;신유철;권광호
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2008년도 추계학술대회 논문집 Vol.21
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    • pp.123-123
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    • 2008
  • In this work, amorphous carbon thin films were deposited for hard mask applications by a reactive particle beam (RPB) assisted sputtering system at room temperature. The depositing characteristics of the films were investigated as functions of operating parameters such as reflector bias voltage and RF plasma power. It was confirmed that the deposition rate increased with increasing the reflector bias voltage and RF plasma power. By an atomic force microscope (AFM), it was revealed that the surface roughness was also increased. The total stress in films was determined by the use of the substrate curvature and its result will be discussed.

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TCP Performance Improvement Considering ACK Loss in Ad Hoc Networks

  • Kim, Dong-Kyun;Yoo, Hong-Seok
    • Journal of Communications and Networks
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    • 제10권1호
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    • pp.98-107
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    • 2008
  • In mobile ad hoc networks, packet loss is unavoidable due to MAC contention, link failure or the inherent characteristics of wireless link. Since TCP relies on the timely reception of TCP ACK packets to progress the transmission of the TCP DATA packets, ACK loss obviously affects the performance due to two main problems: (a) Frequent occurrence of spurious retransmissions caused by timeout events and (b) impairment of the fast retransmit mechanism caused by the lack of a sufficient number of duplicate ACK packets. In particular, since most reactive routing protocols force the packets buffered over a path to be discarded while performing a route recovery, the performance degradation becomes more serious due to such ACK loss. In this paper, therefore, TCP with two piggybacking schemes (called TCP-pgy) is proposed in order to resolve the above-mentioned problems over reactive routing protocols. Through extensive simulations using the ns-2 simulator, we prove that our proposed schemes contribute to TCP performance improvements.

중성염이 견의 반응염색에 미치는 영향 (II) - 음이온의 영향 - (Effect of Neutral Salts on the Reactive Dyeing of Silk (II) - Effect of Anions -)

  • 도성국;박찬헌;권지윤
    • 한국염색가공학회지
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    • 제13권2호
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    • pp.114-119
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    • 2001
  • Four kinds of neutral sodium salts with different anions, NaF, NaCl, NaBr, and NaI, were added to the dye bath to accurately understand the effect of anions on the reactive dyeing of silk with C. I. Reactive Black 5. The sodium cation towered the negative surface potential of the silk and increased the dye-uptake on fille fabric as reported previously. However, because of the discrepancy in the anions'inhibition power from cation's lowering: the surface negative potential the amount of the dye on the silk fiber was different from each other in the order of $F^->Cl^-> Br^-I^-$. The activation energy(E$_{a}$) lot the dyeing was in the order of $F^->Cl^-> Br^-I^-$ but the dye-uptake on the fabric and the activation free energy$(\Delta{G}^*)$, the real energy barrier fort the reaction, were in the order of $F^->Cl^-> Br^-I^-$ because the strength of the interaction of the anions with sodium cations was the salute as the order of the latter. In other words F$^{[-1000]}$ exerted the weakest electrostatic force on $Na^+$ and competed with the dyestuff anions least of all. The decrease in $\Delta{S}^*$ may be due to the looesly bonded activated complex of dyestuff anions, sodium cations and fiber molecules at transition state. It was clarified from the Brёnsted equation that sodium salts with different anions also had fille ionic strength effect and the specific salt effect on the reactive dyeing.g.

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Effect of Oscillatory Shear on the Interfacial Morphology of a Reactive Bilayer Polymer System

  • Kim, Hwang-Yong;Lee, Dong-Hyun;Kim, Jin-Kon
    • 한국고분자학회:학술대회논문집
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    • 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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    • pp.350-350
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    • 2006
  • We investigated, via atomic force microscopy and transmission electron microscopy, the effect of shear force on the interfacial morphology of a reactive bilayer polymer system composed of PS-mCOOH and PMMAGMA. It has been observed that in the absence of oscillatory shearing the roughness of the interface increased with reaction period, while at large values of ${\gamma}_{0}\;and\;{\omega}$ it became less than that observed in the absence of oscillatory shearing. This observation may be attributable to the possibility that oscillatory shearing might have hindered the diffusion of polymer chains, which are located away from the interface, to the interface of the layers. However, the effect of ${\gamma}_{0}\;and\;{\omega}$ on the roughness of the interface of (PS-mCOOH)/(PMMA-GMA) bilayer is found to be quite different.

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Multi-scale Simulation Approach on Lithiation of Silicon Electrodes

  • 정현;주재용;조준형;이광렬;한상수
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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    • pp.186.2-186.2
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    • 2014
  • 최근 친환경 에너지에 대한 관심이 증폭되면서 리튬이차전지에 대한 연구가 활발히 진행되고 있다. 특히 음극(anode) 물질의 경우 기존의 흑연(graphite)보다 이론적 용량이 약 10배 이상 높은 실리콘(Silicon)에 대한 관심이 매우 높다. 하지만 Si의 경우 리튬 충전거동 시 400% 이상의 부피팽창으로 몇 번의 충전/방전 싸이클(cycle)에 전극이 파괴되는 문제점을 지니고 있다. 이를 극복하기 위해 Si 나노선이 고려되고 있다. 우수한 전극특성을 갖는 Si 소재를 개발하기 위해서는 원자단위에서 Si 나노선의 리튬 충전 메커니즘을 살펴보는 것이 매우 중요하다. 하지만 기존의 시뮬레이션 기법으로는 Si 나노선의 볼륨팽창에 관한 메커니즘과 리튬 충전과정에서의 상변화(결정질에서 비정질) 과정을 설명하기는 기술적으로 매우 힘들다. 고전적인 분자동역학 방법의 경우 실제 나노스케일을 고려할 수 있지만, empirical potential로는 원자들간의 화학반응을 제대로 묘사할 수 없다. 한편 양자역학에 기반을 둔 제일원리방법의 경우 계산의 복잡성으로 현재의 컴퓨터 환경에서는 나노스케일에서 원자들의 동역학적인 거동을 연구하기 매우 힘들다. 우리는 이러한 문제를 해결하기 위해 실제 나노스케일에서 원자간 화학반응을 예측할 수 있는 Si-Li 시스템의 Reactive force field를 개발하였고, 분자동역학 계산방법을 이용하여 Si 나노선의 Li 충전 메커니즘을 규명하였다.

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Differences in toughness and aging potential of longissimus lumborum muscles between Hanwoo cow, bull and steer

  • Zhen Song;Inho Hwang
    • Journal of Animal Science and Technology
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    • 제65권4호
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    • pp.865-877
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    • 2023
  • Thirty Hanwoo cattle including bulls, cows, and steers (n = 10 each) were slaughtered and investigated for carcass traits (weight, meat color, fat color, yield index, maturity, marbling score, back-fat thickness, and firmness) and meat quality. The meat quality such as: pH, color, cooking loss, fatty acid, thiobarbituric acid reactive substance, warner-bratzler shear force, tensile tests, and texture profiles were analyzed on longissimus lumborum (LL) muscles of the carcasses at different aging times (3 d and 21 d). The results showed that steers and cows had higher back-fat thickness and marbling score, and a lower firmness (p < 0.001) than bulls. Bulls exhibited a lower meat quality indicating by higher cooking loss, thiobarbituric acid reactive substance content, warner-bratzler shear force and tensile test values (p < 0.01). Regarding the sensory property, the bull meat also had higher hardness, and lower tenderness, juiciness and flavor scores than the cow or steer meat (p < 0.01). Additionally, the bull meat had a higher polyunsaturated fatty acid and a lower monounsaturated fatty acid contents (p < 0.01). With increased aging time, the meat tenderness was improved in all the genders. Taken together, the present study demonstrated that the gender and aging time affected the carcass traits, fatty acid and sensory quality of beef. Postmortem aging could improve the meat tenderness of all genders especially bulls.