• Title/Summary/Keyword: double-well potential

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First Principles Study on Hydrolysis of Hazardous Chemicals PCl3 and POCl3 Catalyzed by Water Molecules (제일원리 계산을 통한 유해화학물질 PCl3와 POCl3의 물분자 촉진 수화반응 연구)

  • Jeong, Hyeon-Uk;Gang, Jun-Hui;Jeon, Ho-Je;Han, Byeong-Chan
    • Proceedings of the Korean Institute of Surface Engineering Conference
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    • 2017.05a
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    • pp.126-126
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    • 2017
  • Using first principles calculations we unveil fundamental mechanism of hydrolysis reactions of two hazardous chemicals $PCl_3$ and $POCl_3$ with molecular water clusters nearby. It is found that the water molecules play a key role as a catalyst significantly lowing the activation barriers by transferring its protons to the reaction intermediates. Interestingly, torsional angles of molecular complexes at transition states are identified as a vital descriptor on the reaction rate. Analysis of charge distribution over the complexes further reinforces the finding with atomic level correlation between the torsional angle and variation of the orbital hybridization state of P in the complex. Electronic charge separation (or polarization) enhances thermodynamic stability of the activated complex at transition state and reduces the activation energy through hydrogen bonding network with water molecules nearby. Calculated potential energy surfaces (PES) for the hydrolysis reactions of $PCl_3$ and $POCl_3$ depict their two contrastingly different profiles of double- and triple-deep wells, respectively. It is ascribed to the unique double-bonding O=P in the $POCl_3$. Our results on the activation free energy show well agreements with previous experimental data within $7kcalmol^{-1}$ deviation.

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Subthreshold Swing Model Using Scale Length for Symmetric Junctionless Double Gate MOSFET (대칭형 무접합 이중게이트 MOSFET에서 스케일 길이를 이용한 문턱전압 이하 스윙 모델)

  • Jung, Hak Kee
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.34 no.2
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    • pp.142-147
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    • 2021
  • We present a subthreshold swing model for a symmetric junctionless double gate MOSFET. The scale length λ1 required to obtain the potential distribution using the Poisson's equation is a criterion for analyzing the short channel effect by an analytical model. In general, if the channel length Lg satisfies Lg > 1.5λ1, it is known that the analytical model can be sufficiently used to analyze short channel effects. The scale length varies depending on the channel and oxide thickness as well as the dielectric constant of the channel and the oxide film. In this paper, we obtain the scale length for a constant permittivity (silicon and silicon dioxide), and derive the relationship between the scale length and the channel length satisfying the error range within 5%, compared with a numerical method. As a result, when the thickness of the oxide film is reduced to 1 nm, even in the case of Lg < λ1, the analytical subthreshold swing model proposed in this paper is observed to satisfy the error range of 5%. However, if the oxide thickness is increased to 3 nm and the channel thickness decreased to 6 nm, the analytical model can be used only for the channel length of Lg > 1.8λ1.

Coagulation of Cationic Rosin Emulsion and its Effect on Ink Receptivity of Coating Layer (양이온성 로진 에멀션의 응결현상이 도공층의 잉크흡수성에 미치는 영향)

  • 박철웅;이학래
    • Journal of Korea Technical Association of The Pulp and Paper Industry
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    • v.30 no.3
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    • pp.74-83
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    • 1998
  • The phenomenon of decrease in sizing efficiency when the stock temperature is increased is well recognized as summer sizing, and this is believed to be caused by uneven distribution of sizing agents on paper surface most often incurred by coagulation of sizing agents. When unevenly sized paper is used as coating base stock, nonuniform consolidation of the coating layer may result, which, in turn, causes uneven distribution of binder on coating surface. This causes nonuniform ink absorption to produce print mottle. In this study the effects of simple or polymeric electrolytes, storage temperature and time on the coagulation of cationic dispersed rosin size were investigated using a turbidity measurement method which was verified to correlate well with the particle size of rosin emulsion or its coagulates. Handsheets sized with rosin dispersions coagulated under various conditions were prepared and their sizing degree and coated paper properties including gloss and ink density were examined. The relationship between the sizing nonuniformity of coated papers and its ink absorption property was evaluated. Turbidity of rosin emulsion increased as the storage temperature and time were increased. Addition of simple or polymeric electrolytes caused reduction in $zeta$ -potential of the rosin dispersion and accelerated the coagulation tendency substantially. Reversion of the $zeta$ -potential of rosin dispersion, however, did not occur when coagulation was induced with simple electrolytes. On the other hand, addition of an anionic polyelectrolyte reversed the $zeta$ -potential of the flocculated rosin dispersion. This indicated that electrical double layer compaction and bridging flocculation were coagulation mechanisms for simple and polymeric electrolytes, respectively. Sizing degree decreased as coagulation of rosin was increased. Paper gloss, ink gloss and ink density were increased when sizing degree of base stock was increased most probably due to prevention of base paper swelling and increased binder migration to coating surface. This suggested that uneven printing ink density occurred when uneven sizing development was induced by coagulation of rosin particles.

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Weeding Efficacy and Phytotoxicity Evaluation of Soil-Applied Herbicides for Potential Use in Sorghum (수수 재배시 적용 제초제 선발을 위한 약효 및 약해 평가)

  • Hwang, Jae-Bok;Park, Tae-Seon;Park, Hong-Kyu;Kim, Hak-Sin;Choi, In-Bae;Koo, Bon-Il;Bae, Hee-Soo
    • Weed & Turfgrass Science
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    • v.5 no.2
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    • pp.82-87
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    • 2016
  • Herbicide options for weed control in sorghum is very limited, hence there is a need for exploring potential herbicides. Sorghum herbicide tolerance field trails were conducted at two locations, Yaechoun, Gyeongsangbuk-do, and Miryang, Gyeongsangnam-do, in 2013. Tolerance of sorghum was evaluated following the pre-emergence application of methabenzthiazuron 70% (WP), simazine 50% (WP), oxadiargyl 1.7% (EC), and dimethenamid-P 5% + pendimethalin 20% (EC) at the standard rate 157.5 g, 75 g, 5.1 g, and 75 g a.i. $10a^{-1}$, respectively. As well as double the standard rate. On a phytotoxicity scale of 0 to 9, methabenzthiazuron (WP) induced injury to sorghum up to level 1 at the standard rate and to 3 at double the rate, but did not significantly affect the yield any statistical difference from the untreated. Simazine (WP) induced phytotoxicity up to levels 2 and 4 at single and double rates, respectively. Simazine (WP) did not significantly affect yield: however, the values were numerically lower than those in the methabenzthiazuron (WP) treatment. Oxidiargyl (EC) and dimethenamid + pendimethalin (EC) induced no or slight phytotoxicity; however they failed to provide effective weed control at the standard rate (32 and 68% control, respectively). Out of the tested, methabenzthiazuron (WP) was found to have potential for use in sorghum whereas the other herbicides caused unacceptable levels of injury.

Evaluation and Design Tools for the Reliability of Wind Power Converter System

  • Ma, Ke;Zhou, Dao;Blaabjerg, Frede
    • Journal of Power Electronics
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    • v.15 no.5
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    • pp.1149-1157
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    • 2015
  • As a key part in the wind turbine system, the power electronic converter is proven to have high failure rates. At the same time, the failure of the wind power converter is becoming more unacceptable because of the quick growth in capacity, remote locations to reach, and strong impact to the power grid. As a result, the correct assessment of reliable performance for power electronics is a crucial and emerging need; the assessment is essential for design improvement, as well as for the extension of converter lifetime and reduction of energy cost. Unfortunately, there still exists a lack of suitable physic-of-failure based evaluation tools for a reliability assessment in power electronics. In this paper, an advanced tool structure which can acquire various reliability metrics of wind power converter is proposed. The tool is based on failure mechanisms in critical components of the system and mission profiles in wind turbines. Potential methodologies, challenges, and technology trends involved in this tool structure are also discussed. Finally, a simplified version of the tool is demonstrated on a wind power converter based on Double Fed Induction Generator system. With the proposed tool structure, more detailed information of reliability performances in a wind power converter can be obtained before the converter can actually fail in the field and many potential research topics can also be initiated.

Immobilization of Layered Double Hydroxide into Polyvinyl Alcohol/Alginate Hydrogel Beads for Phosphate Removal

  • Han, Yong-Un;Lee, Chang-Gu;Park, Jeong-Ann;Kang, Jin-Kyu;Lee, In;Kim, Song-Bae
    • Environmental Engineering Research
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    • v.17 no.3
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    • pp.133-138
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    • 2012
  • Polyvinyl alcohol/alginate hydrogel beads containing Mg-Al layered double hydroxide (LDH-PVA/alginate beads) were synthesized for phosphate removal. Results showed that blending PVA with the LDH-alginate beads significantly improved their stability in a phosphate solution. The kinetic reaction in LDH-PVA/alginate beads reached equilibrium at 12 hr-post reaction with 99.2% removal. The amount of phosphate removed at equilibrium ($q_e$) was determined to be 0.389 mgP/g. The equilibrium data were described well by the Freundlich isotherm with the distribution coefficient ($K_F$, 0.638) and the constant (n, 0.396). Phosphate removal in LDH-PVA/alginate beads was not sensitive to solution pH. Also, the removal capacity of LDH-PVA/alginate beads ($q_e$, 1.543 mgP/g) was two orders of magnitude greater than that of PVA/alginate beads ($q_e$, 0.016 mgP/g) in column experiments. This study demonstrates that LDH-PVA/alginate beads with a higher chemical stability against phosphate compared to LDH-alginate beads have the potential for phosphate removal as adsorptive media.

Dependence of Channel Doping Concentration on Drain Induced Barrier Lowering for Asymmetric Double Gate MOSFET (비대칭 이중게이트 MOSFET에 대한 DIBL의 채널도핑농도 의존성)

  • Jung, Hakkee
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.20 no.4
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    • pp.805-810
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    • 2016
  • The dependence of drain induced barrier lowering(DIBL) is analyzed for doping concentration in channel of asymmetric double gate(DG) MOSFET. The DIBL, the important short channel effect, is described as lowering of source barrier height by drain voltage. The analytical potential distribution is derived from Poisson's equation to analyze the DIBL, and the DIBL is observed according to top/bottom gate oxide thickness and bottom gate voltage as well as channel doping concentration. As a results, the DIBL is significantly influenced by channel doping concentration. DIBL is significantly increased by doping concentration if channel length becomes under 25 nm. The deviation of DIBL is increasing with increase of oxide thickness. Top and bottom gate oxide thicknesses have relation of an inverse proportion to sustain constant DIBL regardless channel doping concentration. We also know the deviation of DIBL for doping concentration is changed according to bottom gate voltage.

A pH-specific Released Formulation Study of WHW Extract for Therapeutics of Renal Failures (신부전 치료제 WHW 엑스의 pH 특이적인 방출 제형 연구)

  • So, Jae-Woo;Kang, Hee-Chul;Park, Yong-Ki;Kim, Young-Ho;Kang, Jong-Seong;Cho, Cheong-Weon
    • Journal of Pharmaceutical Investigation
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    • v.39 no.4
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    • pp.257-261
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    • 2009
  • Effective therapeutics for renal failures have not yet been developed until now. Recently, there was a report showing that Wen-pi-tang-Hab-Wu-ling-san (WHW) prescriptions had the potential to prevent renal failures through the increased expression of HSP-27 and HSP-72 after ischemia/reperfusion. Therefore, formulation studies by pH-specific released systems were carried out to exhibit the optimal activity of WHW prescriptions in this study. WHW prescriptions were separately extracted using water into two parts of stomach-released (SR) and intestine-released (IR) extracts. Subsequently, the double-layered tablet was prepared using the SR extracts and pharmaceutical additives and enteric-coated IR tablet. Dissolution studies were carried out to figure out the release of cinnamic acid and icarrin from SR tablet, IR tablet and double-layered tablet, respectively. The complete release of cinnamic acid from SR tablet showed 90min after dissolution in pH 1.2 and insignificant drug released from IR tablet. As well as, icarrin from IR tablet completely released in pH 6.8 and 7.4 as enteric-coating film dissolved.

Asn-Linked Glycosylation Contributes to Surface Expression and Voltage-Dependent Gating of Cav1.2 Ca2+ Channel

  • Park, Hyun-Jee;Min, Se-Hong;Won, Yu-Jin;Lee, Jung-Ha
    • Journal of Microbiology and Biotechnology
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    • v.25 no.8
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    • pp.1371-1379
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    • 2015
  • The Cav1.2 Ca2+ channel is essential for cardiac and smooth muscle contractility and many physiological functions. We mutated single, double, and quadruple sites of the four potential Asn (N)-glycosylation sites in the rabbit Cav1.2 into Gln (Q) to explore the effects of Nglycosylation. When a single mutant (N124Q, N299Q, N1359Q, or N1410Q) or Cav1.2/WT was expressed in Xenopus oocytes, the biophysical properties of single mutants were not significantly different from Cav1.2/WT. In comparison, the double mutant N124,299Q showed a positive shift in voltage-dependent gating. Furthermore, the quadruple mutant (QM; N124,299,1359,1410Q) showed a positive shift in voltage-dependent gating as well as a reduction of current. We tagged EGFP to the QM, double mutants, and Cav1.2/WT to chase the mechanisms underlying the reduced currents of QM. The surface fluorescence intensity of QM was weaker than that of Cav1.2/WT, suggesting that the reduced current of QM arises from its lower surface expression than Cav1.2/WT. Tunicamycin treatment of oocytes expressing Cav1.2/WT mimicked the effects of the quadruple mutations. These findings suggest that Nglycosylation contributes to the surface expression and voltage-dependent gating of Cav1.2.

On the Normal Mode Dynamics of a Pendulum Absorber (정규모우드 방법을 활용한 진자형 흡진기의 비선형 동역학에 관한 연구)

  • 심재구;박철희
    • Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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    • 1996.04a
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    • pp.177-183
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    • 1996
  • By utilizing the concept of normal modes, nonlinear dynamics is studied on pendulum dynamic absorber. When the spring mode loses the stability in undamped free system, a dynamic two-well potential is formed in Poincare map. A procedure is formulated to compute the forced responses associated with bifurcating mode and predict double saddle-loop phenomenon. It is found that quasiperiodic motion and stable periodic motion coexist in some parameter ranges, and only periodic motions or rotation of pendulum with chaotic fluctuation are observed in other ranges.

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