• 제목/요약/키워드: dipolar interaction

검색결과 35건 처리시간 0.026초

Hyperfine Interaction Integrals for NMR Chemical Shifts in 5f Paramagnetic Systems

  • 이기학;이지영;김동희
    • Bulletin of the Korean Chemical Society
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    • 제18권4호
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    • pp.424-427
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    • 1997
  • To study the NMR chemical shift arising from the 5f-electron orbital angular momentum and the 5f-electron spin dipolar-nuclear spin angular momentum interactions, the evaluation of the hyperfine integrals has been extended to any pairs of SCF type 5f orbitals adopting a general method which is applicable to a general vector R, pointing in any direction in space. From the electronic wavefunctions for 5f orbitals expressed in common coordinate system, the radial part of the hyperfine interaction integrals are derived by translating the exponential part, r2 exp(-2βr), in terms of R, rN and the modified Bessel functions. The radial integals for 5f orbitals are tabulated in analytical forms. When two of the hyperfine integrals along the (100), (010), (001), (110), and (111) axes are calculated using the derived radial integrals, the calculated values for the 5f system change sign for R-values larger than R 0.35 nm. But the calculated values for the 4f systems change sign for R-values larger than R 0.20 nm.

난류-캐스케이드 상호 작용에 의한 광대역 소음장의 시간영역 계산 (Time-domain Computation of Broadband Noise due to Turbulence - cascade Interaction)

  • 정성수;정완섭;이수갑;정철웅
    • 한국소음진동공학회논문집
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    • 제16권3호
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    • pp.263-269
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    • 2006
  • The objective of the present work is to develop a time-domain numerical method of broadband noise in a cascade of airfoils. This paper focuses on dipolar broadband noise sources, resulting from the interaction of turbulent inflows with the flat-plate airfoil cascade. The turbulence response of a two-dimensional cascade is studied by solving both of the linearised and the full nonlinear Euler equations employing accurate higher order spatial differencing, time stepping techniques and non-reflecting inflow/outflow boundary condition. The time-domain result using the linearised Euler equations shows good agreement with the analytical solution using the modified LINSUB code. Through the comparison of the nonlinear time-domain result using the full nonlinear Euler equations with the linear, it is found that the acoustic mode amplitude of the nonlinear response is less than that of the linear response due to the energy cascade from low frequency components to the high frequency ones. Considering the merits of the time-domain methods over the typical time-linearised frequency-domain analysis, the current method is expected to be promising tools for analyzing the effects of the airfoil shapes, non-uniform background flow, linear-nonliear regimes on the broadband noise due to turbulence-cascade interaction.

A Theoretical Representation of Relaxation Processes in Complex Spin System Using Liouville Space Method

  • Kyunglae Park
    • Bulletin of the Korean Chemical Society
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    • 제14권1호
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    • pp.21-29
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    • 1993
  • For the study of relaxation processes in complex spin system, a general master equation, which can be used to simulate a vast range of pulse experiments, has been formulated using the Liouville representation of quantum mechanics. The state of a nonequilibrium spin system in magnetic field is described by a density vector in Liouville space and the time evolution of the system is followed by the application of a linear master operator to the density vector in this Liouville space. In this master equation the nuclear spin relaxation due to intramolecular dipolar interaction or randomly fluctuating field interaction is explicitly implemented as a relaxation supermatrix for a strong coupled two-spin (1/2) system. The whole dynamic information inherent in the spin system is thus contained in the density vector and the master operator. The radiofrequency pulses are applied in the same space by corresponding unitary rotational supertransformations of the density vector. If the resulting FID is analytically Fourier transformed, it is possible to represent the final nonstationary spectrum using a frequency dependent spectral vector and intensity determining shape vector. The overall algorithm including relaxation interactions is then translated into an ANSIFORTRAN computer program, which can simulate a variety of two dimensional spectra. Furthermore a new strategy is tested by simulation of multiple quantum signals to differentiate the two relaxation interaction types.

Calculation of NMR Shift in Paramagnetic System When the Threefold Axis is Chosen as the Quantization Axis (Ⅰ). The NMR Shift for a 3d$^1$ System in a Strong Crystal Field of Octahedral Symmetry

  • Ahn, Sang-woon;Park, Euisuh;Lee, Kee-Hag
    • Bulletin of the Korean Chemical Society
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    • 제4권3호
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    • pp.103-114
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    • 1983
  • The NMR shift arising from the electron angular momentum and the electron spin dipolar-nuclear spin angular momentum interaction has been examined for a $3d_1$ system in a strong octahedral crystal field when the threefold axis is chosen as the quantization axis. To investigate the NMR shift in this situation, first, we have extended the evaluation of the hyperfine integrals to any pairs of 3d orbitals adopting a general method which is applicable to a general vector R, pointing in arbitrary direction in space. Secondly, a general expression using a nonmultipole technique is derived for the NMR shift resulting from the electron angular momentum and the electron spin dipolar-nuclear spin angular momentum interactions. From this expression all the multipolar terms are determined. ${\Delta}B/B$ for the $3d_1$ system in this case is compared with that for the 3d1 system when the z axis is chosen as the quantization axis. When we choose the threefold axis as the quantization axis, it is found that along the , and axes, ${\Delta}B/B$ values are significantly different from each other and along the , <-1-1-1>, <-11-1>, , <-1-11>, , and <-111> axes, ${\Delta}B/B$ values are however the same. We also find that the 1/R7 term contributes dominantly to the NMR shift for all values of R. When 1/$R^5$ term is included, there is good agreement between the exact solution and the multipolar terms when $R\; {\leqslant}\;0.35\;nm.$.

Chemically Induced High Pretilt Angle by CN-Containing Polyimide

  • Lee, Myong-Hoon;You, Kwon-Il;Lee, Chang-Jin;Woo, Tae-Ha
    • 한국정보디스플레이학회:학술대회논문집
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    • 한국정보디스플레이학회 2000년도 제1회 학술대회 논문집
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    • pp.191-192
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    • 2000
  • New copolyimides containing nitrile side group were synthesized from copolymerization of pyromellitic dianhydride, m-phenylene diamine and 3,5-diaminobenzonitrile and subsequent thermal imidization of the resulting poly(amic acid). Crystallinity, glass transition temperature and initial decomposition temperature of copolyimides were almost identical to those of homo polyimide prepared from PMDA and m-PDA. Change of pretilt angle induced by the orientation layer of resulting copolyimide was investigated by using a nitrile-containg nematic liquid crystal cell after rubbing. As the content of polar nitrile group was increased in the copolymer, pretilt angle was increased from $3.65^{\circ}$ to $6.49^{\circ}$. The mechanism of this was speculated as the dipolar interaction between the liquid crystal and nitrile groups in copolyimide.

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The Pseudocontact Shift for a $3d^9$ System in a Strong Crystal Field Environment of Tetragonally Distorted Tetrahedral Symmetry

  • Kim, Dong-Hee;Lee, Kee-Hag
    • Bulletin of the Korean Chemical Society
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    • 제12권6호
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    • pp.618-625
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    • 1991
  • A general expression adopting a nonmultipole expansion method is derived for pseudocontact contribution to the NMR chemical shift arising from the electron orbital angular momentum and electron spin dipolar-nuclear spin angular momentum interaction of $3d^9$ system in a strong crystal field of tetragonally distorted tetrahedral symmetry. From this expression all the multipolar term are determined and the exact solution of ${\Delta}$B/B(ppm) is compared with the multipolar term. The $1/R^5$ term in the multipolar terms contributes dominantly to the NMR chemical shift but the other terms are certainly significant except that of the <111> axis. In addition, an analysis of the temperature dependence of the NMR chemical shift further illustrates that considerable care must be taken in interpeting NMR results in paramagnetic system.

Single Crystal EPR Spectra of $K_{12}[As_2W_18O_{66}Cu_3(H_2O)_2]{\cdot}11H_2O$, a Copper(II) Trimer

  • 조영환;소현수
    • Bulletin of the Korean Chemical Society
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    • 제16권3호
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    • pp.243-248
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    • 1995
  • Single crystal EPR spectra of K12[As2W18O66Cu3(H2O)2]${\cdot}$11H2O exhibit an orientation-dependent fine structure of an S = 3/2 system which is accounted for by the exchange and magnetic dipole interactions among the three Cu2+ ions. The hyperfine structure and the lines from the S = 1/2 manifolds have not been observed. The isotropic exchange parameters determined from the magnetic susceptibility data at 5-300 K are J1 = J2 =-7.8 cm-1. The magnitude of J values suggests that the unpaired electrons on three Cu2+ ions interact through a sequence of six bonds involving two tungsten atoms and three oxygen atoms. The Cu-Cu distance, 4.37 $\AA$, determined from the EPR spectra is considerably smaller than the value from the X-ray crystal structure determination, 4.76 $\pm$ 0.03 $\AA$, indicating that the point-dipole model underestimates the dipolar interaction.

ME 소자의 저주파 등가회로 모델링 (Electric Circuits Modeling of Magnetoelectric Bulk Composites in Low Frequency)

  • 정수태;류지구
    • 한국전기전자재료학회논문지
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    • 제26권7호
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    • pp.515-521
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    • 2013
  • Magnetoelectric(ME) bulk composites with PZT-PNN-PZN/$Fe_2O_4$ were prepared by using a conventional ceramic methods and investigated on the ME voltage vs frequency of ac magnetic fields. We made the electric equivalent circuits by using the Maxwell-Wagner model and simulated the frequency dependence of ME voltage in low frequency region. ME devices were described by a series of two equivalent circuits of piezoelectric and magnetic, which have the relaxation time ${\tau}$ due to the interaction between ME device and load resistor. Equivalent circuit of piezoelectric material is independent of frequency. However ferrite magnetic materials have Debye absorption and dipolar dispersion, whose equivalent circuit is a function of frequency. Therefore we suggest the resistance in the equivalent circuit is proportion to $1+{\omega}^2{\tau}^2$ and the capacitance is in inverse proportion to $1+{\omega}^2{\tau}^2$ in the magnetic materials.

NMR Chemical Shift for a 4d$^1$ system when the Threefold Axis is Chosen to be the Axis of Quantization

  • Ahn, Sang-Woon;Yuk, Geun-Young;Ro, Seung-Woo
    • Bulletin of the Korean Chemical Society
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    • 제7권2호
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    • pp.89-96
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    • 1986
  • The NMR chemical shift arising from 4d electron angular momentum and 4d electron spin dipolar-nuclear spin angular momentum interaction for a $4d^1$ system in a strong crystal field of octahedral symmetry, when the threefold axis is chosen as the quantization axis, has been investigated. A general expression using a nonmultipole expansion method is derived for the NMR chemical shift. From this expression all the multipolar terms are determined. We find that the nonmultipolar results for the NMR chemical shift ${\Delta}B$, is exactly in agreement with the multipolar results when $R {\ge} 0.20$ nm. It is also found that the 1/$R^7$ term contributes to the NMR chemical shift almost the same as the 1/$R^5$ in magnitude. The temperature dependence analysis of ${\Delta}B$/B(ppm) at various values of R shows that the 1/$T^2$ term has the dominant contribution to the NMR chemical shift but the contributions of other two terms are certainly significant for a $4d^1$ system in a strong crystal field of octahedral symmetry when the threefold axis is chosen to be the axis of quantization.