• Title/Summary/Keyword: charge interaction

검색결과 365건 처리시간 0.024초

가상공극개념을 이용한 연구자석의 전체전자기력과 상호체적력밀도 계산 (Evaluation of Global Force and Interaction Body Force Density in Permanent Magnet Employing Virtual Air-gap Concept)

  • 이세희
    • 전기학회논문지
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    • 제58권2호
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    • pp.278-284
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    • 2009
  • The global force and interaction body force density were evaluated in permanent magnets by using the virtual air-gap scheme incorporating the finite-element method. Until now, the virtual air-gap concept has been successfully applied to calculate a contact force and a body force density in soft magnetic materials. These force calculating methods have been called as generalized methods such as the generalized magnetic charge force density method, the generalized magnetizing current force density method, and the generalized Kelvin force density method. For permanent magnets, however, there have been few research works on a contact force and a force density field. Unlike the conventional force calculating methods resulting in surface force densities, the generalized methods are novel methods of evaluating body force density. These generalized methods yield the actual total force, but their distributions have an irregularity, which seems to be random distributions of body force density. Inside permanent magnets, however, a smooth pattern was obtained in the interaction body force density, which represents the interacting force field among magnetic materials. To evaluate the interaction body force density, the intrinsic force density should be withdrawn from the total force density. Several analysis models with permanent magnets were tested to verify the proposed methods evaluating the interaction body force density and the contact force, in which the permanent magnet contacts with a soft magnetic material.

점전하 모형에 의한 10Dq 에서의 배치간 작용의 영향 (The Effect of the Configuration Interaction on 10Dq in a Point Charge Model)

  • 김호징;이덕환
    • 대한화학회지
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    • 제21권1호
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    • pp.23-31
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    • 1977
  • Octahedral symmetry 를 지닌 리간드에 의한 영향 아래있는 하나의 d전자를 갖는 금속 착물을 대상으로, 결정장 분리계수 10Dq를 결정장이론에 의하여 이론적으로 계산하였다. 점전하 모형을 쓰되, Shull-Lowdin 함수를 사용하여 배치간 작용을 고려하고, Integral Hellmann-Feynman Theorem을 써서 고차섭동의 영향을 추출하였다. 고차섭동의 영향이 일차섭동의 약 $50{\%}$가 됨을 알았다. Octahedral potential에 의해 3d 함수의 각 성분의 변화가 없고, $E_g\;와\;T_{2g}$상태에서, 동경성분의 변화가 일정하므로 10Dq는 유일한 파라미터로 남을 것이라는 결론을 얻었다.

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Thermodynamics of Partitioning of Substance P in Isotropic Acidic Bicelles

  • Baek, Seung Bin;Lee, Hyeong Ju;Lee, Hee Cheon;Kim, Chul
    • Bulletin of the Korean Chemical Society
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    • 제34권3호
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    • pp.743-748
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    • 2013
  • The temperature dependence of the partition coefficients of a neuropeptide, substance P (SP), in isotropic acidic bicelles was investigated by using a pulsed field gradient nuclear magnetic resonance diffusion technique. The addition of negatively charged dimyristoylphosphatidylserine to the neutral bicelle changed the SP partitioning a little, which implies that the hydrophobic interaction between the hydrophobic residues of SP and the acyl chains of lipid molecules is the major interaction while the electrostatic interaction is minor in SP binding in a lipid membrane. From the temperature dependence of the partition coefficients, thermodynamic functions were calculated. The partitioning of SP into the acidic bicelles is enthalpy-driven, as it is for small unilamellar vesicles and dodecylphosphocholine micelles, while peptide partitioning into a large unilamellar vesicle is entropy-driven. This may mean that the size of lipid membranes is a more important factor for peptide binding than the surface curvature and surface charge density.

Modulation of Cytochrome c-Membrane Interaction by the Physical State of the Membrane and the Redox State of Cytochrome c

  • 김욱천;김유신;한상화
    • Bulletin of the Korean Chemical Society
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    • 제21권4호
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    • pp.412-418
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    • 2000
  • Association of cytochrome c with anionic membranes involved both electrostatic and hydrophobic interactions and their relative contributions depended on the physical state of the membrane and the redox state of cyto-chromec.Hydrophobic interaction was favored by the membranes in gel phase, by the membranes with a large curvature, and by the membranes with a high surface charge density. Ferrocytochrome c was less dissociable by NaCl than ferricytochrome c suggesting that a lower protein stability is beneficial for hydrophobic interac-tion.Hydrophobic interaction induced larger structural perturbations on cytochrome c as monitored by the loss of the Fe-Met bond and by the increase in the distance between heme and Trp-59. When bound to anionic mem-branes,spin-labeled cytochrome c showed an electron paramagnetic resonance spectrum with two or more components, providing a direct evidence for multiple conformations of bound cytochrome c.

도공층 구조 및 도공지의 인쇄적성에 관한 연구(제3보) - 도공용 안료와 이온성 라텍스와의 상호작용이 도공지 품질에 미치는 영향 - (Studies on the Coating Structure and Printability of Coated Paper(III) - Effect of the interaction with pigments and ionic latices on the property of coated paper -)

  • 박규재;이용규
    • Journal of the Korean Wood Science and Technology
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    • 제27권3호
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    • pp.73-81
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    • 1999
  • 가장 보편적으로 사용되고 있는 도공용 안료인 클레이와 탄산칼슘의 배합비율을 실제 도공공정의 안료 혼합비와 근사하게 설정한 후, 이온성 라텍스를 적용해 봄으로서 이들의 상호작용과 도공지의 품질에 미치는 영향에 대해 검토해 보았다. 1,2급 클레이를 각각 35부, 탄산칼슘을 30부씩 혼합한 후, 제조한 도공액의 탈수량 및 침강중량비 측정 결과, 양성라텍스는 음이온성 라텍스보다 다분산 안료 배합하에서도 안료와의 상호작용이 크다는 것을 알 수 있었으며, 형성된 필터케이크충의 구조가 다공성임을 알 수 있었다. 이러한 결과는 제조한 도공지의 표면거칠기 및 투기도 등의 도공지 표면 및 내부육특성 측정을 통해 확인할 수 있었다. 결과적으로 양성라텍스를 사용하여 제조한 도공지의 인쇄적 성이 음이온성 라텍스를 사용한 경우보다 우수하였다. 이는 양성라텍스가 탄산칼슘이 일정비율 첨가된 안료 배합조건 하에서도 이오기의 전하반전 특성을 통해 클레이와의 정전기적 상호작용을 할 수 있다는 사실을 보여주었으며, 1급 클레이의 혼합비율 일부를 2급 및 탄산칼슘으로 대체하여 도공지의 품질 및 인쇄적성을 개량하였다.

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유아교사의 교사효능감이 유아의 사회성에 미치는 영향 : 직무만족도와 교사-유아 상호작용 질의 순차적 매개효과 (The Effects of Teacher's Self-efficacy on Children's Sociality : The Serial Multiple Mediating Effects of Job-satisfaction and The Quality of Teacher-Child Interaction)

  • 손희진;성지현
    • 아동학회지
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    • 제35권2호
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    • pp.191-209
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    • 2014
  • This study examined the effects of teacher's self-efficacy on children's sociality through the mediating effects of job-satisfaction and the quality of teacher-child interaction. The participants in this study consisted of 27 teachers working at child care centers and 71 children(4-5 years old) in their charge in Seoul and Gyeonggi-do province, Korea. Data were analyzed by means of a Hayes's PROCESS(2012) program to identify the serial multiple mediating effects and the relationships which exist among the various factors. The present study found that teacher's self-efficacy had significant indirect effects on children's sociality through job-satisfaction and the quality of teacher-child interaction. These results suggest that a higher level of teacher's self-efficacy leads to greater job-satisfaction and better quality of teacher-child interaction and this in turn has an influence on children's sociality.

Attractive Sulfur...π Interaction between Fluorinated Dimethyl Sulfur (FDMS) and Benzene

  • Yan, Shihai;Lee, Sang-Joo;Kang, Sun-Woo;Choi, Kwang-Hyun;Rhee, Soon-Ki;Lee, Jin-Yong
    • Bulletin of the Korean Chemical Society
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    • 제28권6호
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    • pp.959-964
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    • 2007
  • The benzene complexes with dimethyl sulfur (DMS) and fluorinated DMS (FDMS) have been investigated using ab initio calculations. The natural bond orbital (NBO) charge population on S atom varies remarkably for different conformations of DMS and FDMS, which determines the possible binding modes for their benzene complexes. The electronegative substituent at the methyl group of DMS causes a significant change in the molecular electrostatic potential around the sulfur atom and changes the interaction mode with aromatic ring. It was found that the sulfur…π interaction mode does not occur in the DMS-benzene complex, while it does in the FDMS-benzene complex. Both B3LYP and MP2 methods provide reliable structures, while the interaction energy obtained by B3LYP is unreliable.

XPS Study of Mn 2pp and 3s Satellite Structures of Heusler Alloys: NiMnSb, ppdMnSb, pptMnSb

  • Yang, See-Hun;Oh, Se-Jung;ppark, Je-Geun
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 1994년도 제6회 학술발표회 논문개요집
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    • pp.50-50
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    • 1994
  • Half-metallic Heusler alloys (NiMnSb, ppdMnSb, pptMnSb) have attracted much attention due to their unique electronic and magnetic structures. Sppin-ppolarized band structure calculation ppredicts metallic behavior for the majority sppin states and semiconductor behavior for the minority sppin states. We have studied the electronic structures of these half-metallic Heusler alloys by core-level pphotoemission sppectroscoppy of Mn 2pp and 3s XppS sppectra. We found large intensities of Mn 2pp satellites and 3s exchange spplitting comppared with other metal Mn-alloys. These satellite structure can be understood by applying Anderson imppurity model. This fact supports the calculated sppin pprojected ppartial density of states which suggests that the valence electrons be highly sppin ppolarized near Fermi level and that the electrons involved with charge-transfer be mainly minority sppin ones which have semiconducting band structure. The trend of charge transfer energies Δ from ligands (Sb 5pp) to Mn 3d, obtained from our model fitting, is consistent with that calculated from sppin pprojected ppartial density of state. Also the trend of d-d electron correlation energies U calculated from Mn Auger line L3 VV by Mg $K\alpha$ source is comppatible with that resulted from our model fitting. We fitted the Mn 3s curve in the same way as for insulating Mn comppounds by using the same pparameters calculated from Mn 2pp curve fitting exceppt for the Coulomb interaction energy Q between core hole and d-electrons. The 3s sppectra were analyzed by combing the charge transfer model and a simpple model taking into account the configuration mixing effect due to the intra-shell correlation. We found that the exchange interaction between 3s hole and 3d electrons is mainly respponsible for the satellite of Mn 3s sppectra. This is consistent with the neutron scattering data, which suggests local 3d magnetic moment. We find that the XppS analysis results of Mn 2pp and 3s satellite structures of half-metallic Heusler alloys are very similar to those of insulating transition metal comppounds.

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Silver Colloidal Effects on Excited-State Structure and Intramolecular Charge Transfer of p-N,N-dimethylaminobenzoic Acid Aqueous Cyclodextrin Solutions

  • 최정관;김양희;윤민중;이승준;김관;정새채
    • Bulletin of the Korean Chemical Society
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    • 제22권2호
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    • pp.219-227
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    • 2001
  • The silver colloidal effects on the excited-state structure and intramolecular charge transfer (ICT) of p-N,N-dimethylaminobenzoic acid (DMABA) in aqueous cyclodextrin (CD) solutions have been investigated by UV-VIS absorption, steady-state and time-resolved fluorescence, and transient Raman spectroscopy. As the concentration of silver colloids increases, the ratio of the ICT emission to the normal emission (Ia /Ib) of DMABA in the aqueous $\alpha-CD$ solutions are greatly decreased while the Ia /Ib values in the aqueous B-CD solutions are significantly enhanced. It is also noteworthy that the ICT emission maxima are red-shifted by 15-40 nm upon addition of silver colloids, implying that DMABA encapsulated in $\alpha-CD$ or B-CD cavity is exposed to more polar environment. The transient resonance Raman spectra of DMABA in silver colloidal solutions demonstrate that DMABA in the excited-state is desorbed from silver colloidal surfaces as demonstrated by the disappearance of νs (CO2-)(1380 cm-1 ) with appearance of ν(C-OH)(1280 cm -1) band, respectively. Thus, in the aqueous B-CD solutions the carboxylic acid group of DMABA in the excited-state can be readily hydrogen-bonded with the secondary hydroxyl group of B-CD while in aqueous and $\alpha-CD$ solutions the carboxylic acid group of DMABA has the hydrogen-bonding interaction with water. Consequently, in the aqueous B-CD solutions the enhancement of the Ia /Ia value arises from the intermolecular hydrogen-bonding interaction between DMABA and the secondary hydroxyl group of B-CD as well as the lower polarity of the rim of the B-CD cavity compared to bulk water. This is also supported by the increase of the association constant for DMABA/ B-CD complex in the presence of silver colloids.