• Interaction and multiscale mechanics
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• 제1권4호
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• pp.467-476
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• 2008

In this work, a nano-size rocksalt crystal (magnesium oxide) is considered as a continuous collection of unit cells, while each unit cell consists of discrete atoms; and modeled by a multiscale concurrent atomic/continuum field theory. The response of the crystal to an electromagnetic (EM) wave is studied. Finite element analysis is performed by solving the governing equations of the multiscale theory. Due to the applied EM field, the inhomogeneous motions of discrete atoms in the polarizable crystal give rise to the change of microstructure and the polarization wave. The relation between the natural frequency of this system and the driving frequency of the applied EM field is found and discussed.

• Bulletin of the Korean Chemical Society
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• 제18권9호
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• pp.976-981
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• 1997

The magnetic susceptibilities of molybdenum ions with 4d1 electronic configuration in the octahedral crystal field were calculated on the basis of ligand field theory. The experimental magnetic susceptibilities for molybdenum ions, which are stabilized at the octahedral site in the perovskite lattice of Ba2ScMoⅤO6 and Sr2YMoⅤO6, were compared with the theoretical ones. We have tried to fit their temperature dependence of magnetic susceptibility with ligand field parameters, spin-orbit coupling constant ζSO, and orbital reduction parameter κ according to intermediate field coupling and strong field theory. Strong field coupling theory could not explain experimental curves without unrealistically large axial ligand field, since it ignores the mixing up between different state via spin-orbit interaction and ligand field. On the other hand, the intermediate field coupling theory could successfully reproduce experimental data in octahedral and trigonal ligand field. The fitting result demonstrates not only the fact that spin-orbit interaction is primarily responsible for the variation of magnetic behavior but also the fact that effective orbital overlap, enhanced by cubic crystal structure, reduces significantly orbital angular momentum as indicated by κ parameter.

• Interaction and multiscale mechanics
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• 제2권1호
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• pp.1-14
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• 2009

This paper proposes an interaction field concept based on the field theory of plasticity. Relative deformation between two arbitrary scales, e.g., macro and micro fields, is defined which can be implemented in the crystal plasticity-based constitutive framework. Differential geometrical quantities responsible for describing dislocations and defects in the interaction field are obtained, based on which dislocation density and incompatibility tensors are further derived. It is shown that the explicit interaction exists in the curvature or incompatibility tensor field, whereas no interaction in the torsion or dislocation density tensor field. General expressions of the interaction fields over multiple scales with more than three scale levels are derived and implemented into the present constitutive equation.

• 대한화학회지
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• 제20권3호
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• pp.198-205
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• 1976

Parr의 Integral Hellmann-Feynman이론을 비대각꼴에 까지 일반화하여 의의를 갖도록 하였으며 그 특징을 논하였다. 그리하여 이 비대각꼴을 결정장론에 미치는 배치작용의 효과를 검토하는데 적용함으로서, 모든 차의 섭동 에너지를 하나의 묶음으로서 도입하였다. 그 결과 ${\Gamma}$, S 및 m로 특징지워지는 상태들에게, 파라미터화 할 수 있는 공통적인 동경적분이 존재하지 않음을 밝혔다. 그러나 만일 각 성분에 변형이 없고 동경성분에게 동등한 변형만이 있는 여기된 배치들의 작용만을 허락한다면, 이는 고전적인 결정장론에서 결정장 파라메터 10 Dq와 Condon-Slater 적분 $F^n$의 척도를 변경시키는 결과를 초래함을 알게 되었다.

• 대한화학회지
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• 제17권5호
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• pp.332-336
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• 1973

Integral Hellmann-Feynman Theorem을 degenerate case에 연장 전개하였다. 연장된 formula의 특성을 조사하고 근사식을 제안하였다. Conventional crystal field theory에 대한 고차섭동 에너지 보정의 가능성을 논의 하였다.

• Bulletin of the Korean Chemical Society
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• 제18권8호
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• pp.861-864
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• 1997

Luminescence spectrum of Na3[Eu(ODA)3]·7H2O (ODA≡oxydiacetato) was measured at various temperatures. The characteristic band splitting within 5D0→7FJ (J = 1, 2, 3 and 4) were phenomenologically simulated by using crystal field theory. The set of crystal field parameters reproduces the emission lines in a satisfactory manner with a rms deviation of 21.4 cm-1. It leads the reliable assignment of the luminescence bands and the energy level scheme of 7FJ (J = 1, 2, 3 and 4) multiplets.

• 한국자기학회지
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• 제18권4호
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• pp.159-162
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• 2008

자기변형(magnetostriction) 현상은 외부 온도와 자기장이 변할 때 자성체의 모양이나 부피가 변하는 현상이다. 반강자성을 갖는 희토류 원소와 화합물에서의 관측되는 자기변형 현상은 결정장에 의한 결정장 변형(crystal-field striction)과 교환상호작용에 의한 교환 변형(exchange striction)으로 잘 설명할 수 있음이 알려져 있다. 이 해설 논문에서는 결정장과 교환 상호작용을 포함하는 자기변형 표준이론에 대하여 논의하고자 한다.

• 한국정보디스플레이학회:학술대회논문집
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• 한국정보디스플레이학회 2005년도 International Meeting on Information Displayvol.I
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• pp.181-186
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• 2005

We demonstrate that the finite rate of dielectric relaxation in liquid crystals which has been ignored previously causes profound effects in the fast dielectric reorientation of the director. The phenomenon is relevant for submillisecond switching of the director when the switching rate approaches the rate of dielectric relaxation through the reorientation of the molecular dipoles. A submillisecond switching ($15-400\;{\mu}s$ for an optical retardation shift $0.3-2.2\;{\mu}m$ in $10-15\;{\mu}m$ thick cells) is demonstrated for dual frequency nematic cells with high pretilt that maximizes the dielectric torque acting on the director. We propose the theory of dielectric response in which the electric displacement depends not only on the present (as in the standard theory) but also on the past values of electric field and director. We design an experiment in which the standard "instantaneous" model and our model predict effects of opposite signs; the experimental data support the latter model.

• Interaction and multiscale mechanics
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• 제2권1호
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• pp.15-30
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• 2009

The theoretical framework of the interaction fields for multiple scales based on field theory is applied to one-dimensional problem mimicking dislocation substructure sensitive intra-granular inhomogeneity evolution under fatigue of Cu-added steels. Three distinct scale levels corresponding respectively to the orders of (A)dislocation substructures, (B)grain size and (C)grain aggregates are set-up based on FE-RKPM (reproducing kernel particle method) based interpolated strain distribution to obtain the incompatibility term in the interaction field. Comparisons between analytical conditions with and without the interaction, and that among different cell size in the scale A are simulated. The effect of interaction field on the B-scale field evolution is extensively examined. Finer and larger fluctuation is demonstrated to be obtained by taking account of the field interactions. Finer cell size exhibits larger field fluctuation whereas the coarse cell size yields negligible interaction effects.

• 한국결정성장학회지
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• 제14권1호
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• pp.17-20
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• 2004

본 논문의 목적은 초전도체에 자기장 H가 인가되고 있는 경우. 임계온도에서의 비열 불연속폭을 열역학적 방법을 사용하여 인가자기장 H의 해석적 함수로서 정확히 구하는 데에 있다. 그리고 이러한 결과를 이용하여 몇몇 초전도체의 비열 불연속폭에 대한 수치를 계산하고 그 의미를 분석할 것이다 .특히 초전도체의 일반적 현상인 상태변이 시의 비열불연속 현상이 특정 세기의 자기장하에서는 일어나지 않는다는 주목할 만한 결과에 대해서도 언급할 것이다.