• 제목/요약/키워드: QM

검색결과 342건 처리시간 0.023초

V2O5가 Pb(Sb1/2Nb1/2)O3-Pb(Ni1/3Nb2/3)O3-Pb(Zr, Ti)O3세라믹스의 유전 및 압전특성에 미치는 영향 (The Effect of V2O5 on the Dielectric and Piezoelectric Characteristics of Pb(Sb1/2Nb1/2)O3-Pb(Ni1/3Nb2/3)O3-Pb(Zr, Ti)O3Ceramics)

  • 류주현;남승현;이수호
    • 한국전기전자재료학회논문지
    • /
    • 제16권8호
    • /
    • pp.676-680
    • /
    • 2003
  • In this study, to develop the low temperature sintering ceramics for piezoelectric transformer, PSN-PNN-PZT system ceramics were manufactured as a function of V$_2$O$_{5}$ addition, that is the low melting point oxide. Its dielectric and piezoelectric characteristics were investigated. With increasing the amount of V$_2$O$_{5}$ addition, electromechanical coupling factor(kp) and mechanical quality factor(Qm) were decreased. For piezoelectric transformer application, the 0.1wt% V$_2$O$_{5}$ added specimen sintered at 1,00$0^{\circ}C$ showed the proper value of $\varepsilon$r=1,590, kp=0.51 and Qm=748.m=748.

CuO 첨가된 저온소결 (Na,K,Li)(Nb,Sb,Ta)O3계 세라믹스의 압전 및 유전 특성 (Piezoelectric and Dielectric Properties of Low Temperature Sintering (Na,K,Li)(Nb,Sb,Ta)O3 Ceramics Doped with CuO)

  • 이광민;류주현;이지영
    • 한국전기전자재료학회논문지
    • /
    • 제28권4호
    • /
    • pp.229-233
    • /
    • 2015
  • In this paper, in order to develop outstanding Pb-free piezoelectric composition ceramics, the $(Na_{0.525}K_{0.443}Li_{0.037})(Nb_{0.883}Sb_{0.08}Ta_{0.037})O_3+0.3wt%Bi_2O_3+0.4wt%Fe_2O_3+xwt%CuO$ (x= 0~0.8 wt%)(abbreviated as NKL-NST) lead-free piezoelectric ceramics have been synthesized using the ordinary solid state reaction method. The effects of CuO-doping on the structure and electrical properties of the NKL-NST ceramics were systematically studied. The results show that the ceramics exhibit a pure perovskite structure with orthorhombic phase at room temperature, and secondary phase was found in the ceramics. The 0.4 wt%CuO added ceramics sintered at $950^{\circ}C$ showed the optimum properties of piezoelectric constant($d_{33}$), planar piezoelectric coupling coefficient(kp) and mechanical quality factor(Qm) : $d_{33}=213$[pC/N], kp= 0.43, Qm= 423,respectively.

Importance of Accurate Charges in Binding Affinity Calculations: A Case of Neuraminidase Series

  • Park, Kichul;Sung, Nack Kyun;Cho, Art E.
    • Bulletin of the Korean Chemical Society
    • /
    • 제34권2호
    • /
    • pp.545-548
    • /
    • 2013
  • It has been shown that calculating atomic charges using quantum mechanical level theory greatly improves the accuracy of docking. A protocol was developed and shown to be effective. That this protocol works is just a manifestation of the fact that electrostatic interactions are important in protein-ligand binding. In order to investigate how the same protocol helps in prediction of binding affinities, we took a series of known cocrystal structures of influenza neuraminidase inhibitors with the receptor and performed docking with Glide SP, Glide XP, and QPLD, the last being a workflow that incorporates QM/MM calculations to replace the fixed atomic charges of force fields with quantum mechanically recalculated ones at a given docking pose, and predicted the binding affinities of each cocrystal. The correlation with experimental binding affinities considerably improved with QPLD compared to Glide SP/XP yielding $r^2$ = 0.83. The results suggest that for binding sites, such as that of neuraminidase, which are laden with hydrophilic residues, protocols such as QPLD which utilizes QM-based atomic charges can better predict the binding affinities.

$CeO_2$첨가에 따른 저온소결 PSN-PZT세라믹스의 유전 및 압전 특성 (Dielectric and Piezoelectric Properties of Low temperature sintering PSN-PZT ceramics with $CeO_2$ addition)

  • 정광현;류주현;오동언;송현선;정회승;박창엽;이덕출
    • 한국전기전자재료학회:학술대회논문집
    • /
    • 한국전기전자재료학회 2003년도 추계학술대회 논문집 Vol.16
    • /
    • pp.300-303
    • /
    • 2003
  • [ $0.91(PSN-PZT)-0.05BF-0.04PNW+0.3wt%MnO_2+0.6wt%CuO+xwt%CeO_2$ ] ceramics were fabricated with the variations of $CeO_2$ addition at the sintering temperature of $950^{\circ}C$ and their microstructure and dielectric and piezoelectric characteristics were investigated. As the amount of $CeO_2$ addition increased, the grain size, density and electromechanical coupling factor(kp) were increased and the mechanical quality factor(Qm) was decreased. At the $0.3wt%CeO_2$, density, grain size and electromechanical factor(kp) showed the maximum value of $7.87g/cm^3$, $3.22{\mu}m$ and 0.5, respectively. However, mechanical quality factor(Qm) showed the minimum value of 807 at the $0.5wt%CeO_2$.

  • PDF

GIS내 파티클에 의한 PD의 패턴인식 (Pattern Recognition of PD by Particles in GIS)

  • 곽희로;이동준
    • 조명전기설비학회논문지
    • /
    • 제17권1호
    • /
    • pp.31-36
    • /
    • 2003
  • 본 논문은 GIS내 파티클에 의해 발생한 부분방전 신호에 대한 정량적 분석 및 상태에 따른 패턴인식에 관하여 설명하였다. GIS내 파티클의 상태를 4가지로 모의하여 각각의 경우에 부분방전 신호를 계측한 후 Ф-Q-N분포로 나타내었고, 다시 Ф-Q분포, Ф-Qm분포, Ф-N분포, Ф-N분포로 나타내었다. 각각의 분포는 통계적 연산자에 의해 정량화 하여 분석하였고, 또한 연산자들을 패턴인식을 위한 입력데이터로 이용하여 수행하였다. 그 결과 파티클의 상태에 따른 분포 형태는 파티클의 상태에 따라 서로 다른 특성을 나타냈었으며, 또한 뉴럴 네트웍을 이용한 패턴 인식의 결과는 약92〔%〕였으며 연산자들의 입력 데이터가 많을수록 더 정확한 결과가 나타났다.

$MnO_2$가 PSN-PNN-PZT 세라믹스에 미치는 영향 (Effect of $MnO_2$ on the PSN-PNN-PZT Ceramics)

  • 남승현;류주현;이수호;김현기;배선기
    • 한국전기전자재료학회:학술대회논문집
    • /
    • 한국전기전자재료학회 2003년도 춘계학술대회 논문집 센서 박막재료 반도체 세라믹
    • /
    • pp.236-239
    • /
    • 2003
  • In this study, to develop the low temperature sintering ceramics for piezoelectric transformer, PSN-PNN-PZT system ceramics were manufactured as a function of $MnO_2$ addition. Its dielectric and piezoelectric characteristics were investigated. With increasing the amount of $MnO_2$ addition, electromechanical coupling factor(kp) were increased until 0.3wt% $MnO_2$ and that after decreased. mechanical quality factor(Qm) showed the maxinum value at 0.5wt% $MnO_2$. For piezoelectric transformer application, the 0.5wt% $MnO_2$ added specimen sintered at $1,000^{\circ}C$ showed the proper value of ${\varepsilon}r$= 1,646, kp=0.55 and Qm=439.

  • PDF

저온소결 (K0.5Na0.5)NbO3 세라믹스의 분극전계에 따른 압전 및 유전특성 (Piezoelectric and Dielectric Properties of Low Temperature Sintering (K0.5Na0.5)NbO3 Ceramics with the Variation of Poling Electric Field)

  • 이일하;류주현;정영호
    • 한국전기전자재료학회논문지
    • /
    • 제21권11호
    • /
    • pp.1000-1004
    • /
    • 2008
  • In this paper, the influences of poling electric field on piezoelectric properties of $0.95(K_{0.5}Na_{0.5})NbO_3$-$0.05Li(Sb_{0.8}Nb_{0.2})O_3$ (abbreviated as KNN-LSN) ceramics were investigated. The specimens was sintered at sintering temperature of $1050^{\circ}C$. They showed orthorhombic phase structure without secondary phase. Electromechanical coupling factor (kp), dielectric and piezoelectric constant($d_{33}$) increased with poling electric field. However, mechanical quality factor (Qm) decreased. Take into account of poling conditions and piezoelectric properties of KNN-LSN ceramics, the optimum poling condition for KNN-LSN ceramics was poling electric field of 4.5 kV/mm. At the time, kp of 0.458, Qm of 43.97, $d_{33}$ of 278 pC/N, and dielectric constant of 1079 were shown, respectively.

$Y_2O_3$$Fe_2O_3$ 첨가에 따른 PSN-PMN-PZT 세라믹스의 전기적 특성에 따른 연구 (A Study on the Electrical properties of PSN-PMN-PZI system ceramics modified With $Y_2O_3$and $Fe_2O_3$)

  • 민석규;황상모;이용우;류주현;김종선
    • 한국전기전자재료학회:학술대회논문집
    • /
    • 한국전기전자재료학회 1999년도 추계학술대회 논문집
    • /
    • pp.269-272
    • /
    • 1999
  • In this study, electrical properties and TCFr of Pb(Sb$_{1}$2/Nb$_{1}$2/)O$_3$-Pb(Mn $_{1}$3/Nb$_{2}$3/)O$_3$-Pb(zr, Ti)O$_3$ composition ceramics were investigated wish the Zr/Ti ratio and the additions of Y2O3. and Fe$_2$O$_3$ Electromechanical coupling factor(Kp) showed the highest value of 0.555 in the Zr/Ti=0.50/0.50 ratio ,however, dielectric constant showed the highest value of 1,217 in the Zr/Ti = 0.49/0.51 ratio. Excellent TCFr vague of 421ppm/$^{\circ}C$] at-30~9O$^{\circ}C$ was appeared in the Zr/Ti=0.50/0.50 ratio and electro-mechanical coupling factor(Kp) , mechanical quility factor(Qm) and dielectric constant was 0.496, 1,286 and 1,085 ,respectively ,in the composition ceramics of lwt%Y$_2$O$_3$ and 0.3wt%Fe$_2$O$_3$.

  • PDF

첨가제에 의한 0.05PAN-0.95PZT계 세라믹의 압전특성에 관한 연구 (A study on the piezoelectric characteristics of 0.05PAN-0.95PZT ceramics with additive)

  • 김현철;허석현;김진섭;임인호;배선기
    • 한국전기전자재료학회:학술대회논문집
    • /
    • 한국전기전자재료학회 2000년도 하계학술대회 논문집
    • /
    • pp.419-422
    • /
    • 2000
  • This paper was to measure the structure, piezoelectric properties of 0.05Pb($A1_{0.5}$$Nb_{0.5}$)-0.95Pb($Zr_{0.52}$$Ti_{0.48}$)$O_3$ ceramics dopped with additive after creating the specimens with a general method. It is shown that X-ray diffraction pattern variation of lines (200) have tendency to move in simple peak by addition of additive. According to the increase of $Cr_2$$O_3$, tetragonality hardly have variation, according to the increase of $Fe_2$$O_3$, tetragonality decreased on the whole. According to dopping with $Cr_2$$O_3$ and $Fe_2$$O_3$, electromechanical factor(kp) largely increased, in case of sintering at $1200^{\circ}C$ kp was maximum value of 40.04[%] at $Cr_2$$O_3$ 0.3wt%, and maximum value of kp 42.9 [%] at $Fe_2$$O_3$, 0.9wt%. In case of sintering at 120$0^{\circ}C$, mechanical duality factor(Qm) was maximum value of Qm 268.8 at $Cr_2$$O_3$, 0.9 wt%.

  • PDF

PZN 치환에 따른 적층 압전변압기용 PMN-PZT 세라믹의 압전 및 유전 특성 (Piezoelectric and dielectric properties of PMN-PZN ceramics for multilayer piezoelectric transformer with PZN substitution)

  • 이창배;류주현;백동수;임인호
    • 한국전기전자재료학회:학술대회논문집
    • /
    • 한국전기전자재료학회 2005년도 하계학술대회 논문집 Vol.6
    • /
    • pp.59-61
    • /
    • 2005
  • In this paper, in order to develop the low temperature sintering ceramics for multilayer piezoelectric transformer, $Pb[(Mn_{1/3},Nb_{2/3})_{0.07}(Zn_{1/3}Nb_{2/3})_a(Zr_{0.48}Ti_{0.52})_{1-0.07-a}O_3]$ ceramics were manufactured with the variations of PZN from 2 to 14mol% and their dielectric and piezoelectric properties were investigated. Sintering temperature was varied from 910 to $1000^{\circ}C$. At 8mol% PZN substituted specimen sintered at $970^{\circ}C$, electromechanical coupling factor(kp), mechanical quality factor(Qm), dielectric constant and peizoelectric constant($d_{33}$) showed the optimal values of 0.536, 1803, 1551 and 328[pC/N), respectively, for multilayer piezoelectric transformer application.

  • PDF