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mPW1PW91 Calculated Conformational Study of Calix[n]arene (n = 4,5,6): Hydrogen Bond (캘릭스[n]아렌(n = 4,5,6)의 이형체들의 상대적인 안정성과 수소결합에 대한 양자역학적 계산연구)

  • Kim, Kwang-Ho;Choe, Jong-In
    • Journal of the Korean Chemical Society
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    • v.53 no.6
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    • pp.640-652
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    • 2009
  • We have performed mPW1PW91 calculations to investigate the conformational characteristics and hydrogen bonds of p-tert-butylcalix[4]arene (1), p-tert-butylcalix[5]arene (2), calix[6]arene (3) and p-tertbutylcalix[6]arene (4). The structures of the different conformers of 1-3 were optimized by using mPW1PW91/6-31+G(d,p) method. The relative stability of the four conformers of 1 is in the following order: cone (most stable) > partial-cone > 1,2-alternate > 1,3-alternate. The relative stability of the conformers of 2 is in the following order: cone (most stable) > 1,2-alternate > partial-cone > 1,3-alternate. The relative stability of the various conformers of 3 is in the following order: cone (pinched: most stable) > partial-cone > cone (winged) - 1,2-alternate - 1,2,3-alternate > 1,4-alternate > 1,3-alternate > 1,3,5-alternate. The structures of the various conformers of 4 were optimized by using the mPW1PW91/6-31G(d,p) method followed by single point calculation of mPW1PW91/6-31+G(d,p). The relative stability of the conformers of 4 is in the following order: cone (pinched) > 1,2-alternate > cone (winged) > 1,4-alternate - partial-cone > 1,2,3-alternate > 1,3,5-alternate > 1,3-alternate. The primary factor affecting the relative stabilities of the various conformers of the 1-4 are the number and strength of the intramolecular hydrogen bonds. The hydrogen-bond distances are discussed based on two different calculation methods (B3LYP and mPW1PW91).

DFT Conformational Study of Calix[6]arene: Hydrogen Bond

  • Kim, Kwang-Ho;Choe, Jong-In
    • Bulletin of the Korean Chemical Society
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    • v.30 no.4
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    • pp.837-845
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    • 2009
  • We have performed DFT calculations to investigate the conformational characteristics and hydrogen bonds of the calix[6]arene (1) and p-tert-butylcalix[6]arene (2). The structures of various conformers of 1 were optimized by using the B3LYP/6-31G(d,p) and /6-31+G(d,p) methods followed by single point calculation of MPW1PW91/ 6-31G(d,p). The relative stability of the conformers of 1 is in the following order: cone (pinched: most stable) > partial-cone > cone (winged) $\sim$ 1,2-alternate $\sim$ 1,2,3-alternate > 1,4-alternate > 1,3-alternate > 1,3,5-alternate. The structures of different conformers of 2 were optimized by using the B3LYP/6-31G(d,p) method followed by single point calculation of MPW1PW91/6-31G(d,p). The relative stability of the conformers of 2 is in the following order: cone (pinched) > 1,2-alternate > cone (winged) > 1,4-alternate $\sim$ partial-cone > 1,2,3-alternate > 1,3,5alternate > 1,3-alternate. One of the important factors affecting the relative stabilities of the various conformers of the 1 and 2 is the number and strength of the intramolecular hydrogen bonds.

A Study on the Alternate Airport Selection Critreia (대체공항 선택요인에 관한 연구)

  • Jo, E.K.;Kim, B.J.
    • Journal of the Korean Society for Aviation and Aeronautics
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    • v.7 no.1
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    • pp.77-89
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    • 1999
  • The atmosphere condition at Kimpo International Airport occasionally prevents the aircraft from landing and forces them to fly to an alternate airport, especially in October and November during a year. Many airlines designated foreign airports instead of Korean airports as alternate airports in the case of the bad weather condition preventing use of Kimpo Airport. This paper addresses 1) economic comparison of candidates for the alternate airport, 2) what are the criteria for the alternate airport selection and the relative importance among the criteria and 3) evaluation of candidates for alternate airport using Brown and Gibson's pair-wise comparison method. It is found to be possible to reduce costs related alternate flight by 36% using Korean airports rather than using Japan's Hukuoka Airport. However, airlines weigh more on the factors such as service level of ground handling, accommodation for passengers and ground access convenience than costs. Among Korean airports, Kimhae International Airport is found the most favorable airport as the alternate airport for Kimpo International Airport.

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Study on Predicting Induction Motor Characteristics of Alternate QD Model Under Light Loads by Comparing Performance of MTPA Control (단위전류당최대토크 제어기의 성능 비교를 통한 경부하에서 대안모델의 유도전동기 동특성 예측에 관한 연구)

  • Kwon, Chun-Ki;Kim, Dong-Sik
    • The Transactions of the Korean Institute of Power Electronics
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    • v.21 no.1
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    • pp.65-71
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    • 2016
  • This study investigates a high-accuracy alternate QD model to estimate the characteristics of induction motor under light loads. To demonstrate the usefulness of the alternate QD model, a maximum torque per amp (MTPA) control based on the alternate model is shown to outperform MTPA control based on the standard QD model. The experimental study conducted in this work exhibits that the MTPA control based on the alternate QD model tracks torque commands between 20 Nm and 30 Nm with 5% error, whereas the MTPA control based on the standard QD model generates torques lower by over 23% compared with the aforementioned torque commands. This result indicates that the alternate QD model is a highly accurate model for induction motors under light loads.

Design of Continuous Alternate Wheels for an Omnidirectional Mobile Robot

  • Kim, Jeong-Keun;Byun, Kyung-Seok;Song, Jae-Bok
    • 제어로봇시스템학회:학술대회논문집
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    • 2003.10a
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    • pp.829-834
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    • 2003
  • Many types of omnidirectional wheels with passive rollers have gaps between rollers. Since these gaps cause a wheel to make discontinuous contact with the ground, they lead to vertical and/or horizontal vibrations during wheel operation. In addition, the radii of passive rollers are related to the height of a bump an omnidirectional wheel can surmount. In this research a new design of the alternate wheel is proposed. Because this wheel makes continuous contact with the ground and has alternating large and small rollers around the wheel, it is termed a continuous alternate wheel (CAW). In this paper a design procedure is also presented to determine the optimum number of rollers, the radii of rollers and the inside inclination angle of an outer roller for given design specifications. The CAW based on this design is compared to the existing alternate wheels in terms of design. Finally, an actual continuous alternate wheel is constructed to verify validity of the design guidelines.

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Development of a Kinematic Winding Control Algorithm for the Alternate Pirn (Alternate Pirn의 권취형상 제어를 위한 기구학적 제어 알고리즘 개발)

  • 최영휴;김광영;김종수;박대원
    • Proceedings of the Korean Society of Precision Engineering Conference
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    • 1996.11a
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    • pp.413-418
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    • 1996
  • Alternate pirn winding is more difficult to control than others because starting points of its traverse strokes are changed alternately through the winding operations. However, the alternate pirn winding is ye useful method because the yarn can be hardly broken when it is unwinded from full packaged bobbin. This paper presents kinematic control algorithm for the alternate pirn. The proposed algorithm can decide the values of control variables such as bobbin speed and traverse speed from the given input parameters and constraints by using the kinematic relations of the winding mechanism. The compute simulations and experimental verifications of the developed winding control algorithm are carried out It is concluded that the proposed algorithm is an efficient and reliable alternative to traditional trial and error control methods.

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Effect of Alternate Bias Stress on p-channel poly-Si TFT's (P-채널 poly-Si TFT's의 Alternate Bias 스트레스 효과)

  • 이제혁;변문기;임동규;정주용;이진민
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1999.05a
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    • pp.489-492
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    • 1999
  • The effects of alternate bias stress on p-channel poly-Si TPT's has been systematically investigated. It has been shown that the application of alternate bias stress affects device degradation for the negative bias stress as well as device improvement for the positive bias stress. This effects have been related to the hot carrier injection into the gate oxide rather than the generation of defect states within the poly-Si/SiO$_2$ under bias stress.

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The study on the syndrome of Sosihotang's alternate chills and fever in Sang Han Lun (『상한론(傷寒論)』 소시호탕증(小柴胡湯證)의 한열왕래(寒熱往來)에 대한 연구(硏究))

  • Park, Sang-Kyun;Bang, Jung-Kyun
    • Journal of Korean Medical classics
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    • v.27 no.3
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    • pp.33-46
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    • 2014
  • Objectives : Sosihotang is a typical prescription in Sang Han Lun. And the alternate chills and fever is a Sosihotang's typical symptom. Therefore I will study of how the syndrome of Sosihotang's alternate chills and fever caused. Methods : Examine the claims of the syndrome of Sosihotang's alternate chills and fever in Sang Han Lun. The scholar's claims are not all same. Thus, I analysis the claims of many scholars. Results : The syndrome of Sosihotang has two mechanisms. The move of defensive Gi(衛氣) can explain the occurrence of alternate chills and fever. If the defense Gi enter inside the body, it struggle with pathogenic Gi, the fever is occurred. On the contrary to this, if the defense Gi exits the body the chills occurs because of the lack of defense Gi. Conclusions : The syndrome of Sosihotang could be taken ill by tranmission or direct attack of exogenous pathogenic factors(直中). Symptoms chills and fever occurs due to the entrance and exit of defensive Gi.

Influence of Device Parameters Spread on Current Distribution of Paralleled Silicon Carbide MOSFETs

  • Ke, Junji;Zhao, Zhibin;Sun, Peng;Huang, Huazhen;Abuogo, James;Cui, Xiang
    • Journal of Power Electronics
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    • v.19 no.4
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    • pp.1054-1067
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    • 2019
  • This paper systematically investigates the influence of device parameters spread on the current distribution of paralleled silicon carbide (SiC) MOSFETs. First, a variation coefficient is introduced and used as the evaluating norm for the parameters spread. Then a sample of 30 SiC MOSFET devices from the same batch of a well-known company is selected and tested under the same conditions as those on datasheet. It is found that there is big difference among parameters spread. Furthermore, comprehensive theoretical and simulation analyses are carried out to study the sensitivity of the current imbalance to variations of the device parameters. Based on the concept of the control variable method, the influence of each device parameter on the steady-state and transient current distributions of paralleled SiC MOSFETs are verified separately by experiments. Finally, some screening suggestions of devices or chips before parallel-connection are provided in terms of different applications and different driver configurations.