• Journal of the Korean Chemical Society
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• v.21 no.1
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• pp.23-31
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• 1977

For the metal complex of $d^1$ configuration with the octahedrally coordinated ligands, the crystal field parameter, 10Dq, is calculated from first principles within the framework of the crystal field theory. With the point charge model, the configuration interaction is introduced by use of the Shull-L$\"{o}$wdin functions. Through the Integral Hellmann-Feynman Theorem, the higher order effect is visualized. It is found that the higher order effect on 10Dq is about $50{\%}$ of the first order effect. Since 3d function is angularly undistorted and radially equally distorted in $E_g\;and\;T_{2g}$ states, due to the octahedral potential, the calculated 10Dq is still the unique parameter for the splitting.

• Proceedings of the KIEE Conference
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• 1996.07a
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• pp.458-460
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• 1996

In this study, the full-state flux observer is designed in the synchronous DQ-frame and the speed adaptation rule is derived by using the MRAS(Model Reference Adaptive System) theory. In this rule, the induction motor becomes a reference model and the flux observer is taken as a adjustable model. A guideline of the adaptation gain is investigated for the precise and stable speed adaptation and the proposed scheme is compared with the conventional one designed in the stationary DQ-frame.

• Journal of the Korean Chemical Society
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• v.22 no.2
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• pp.67-77
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• 1978

MO's of a complex are expanded in terms of the set of Shull-Lowdin functions based on a single point, the nucleus of central metal ion, and the result was interpreted from the viewpoint of perturbation theory. We find that even in the case of $[NiF_6]^{4-}$, which has relatively small covalency, excited configurations with high orbital angular momentum are considerably mixed into $e_g$ and $t_{2g}$, orbitals of central metal ion, and that the distortions in these orbitals differ from each other. Therefore it is concluded that the energy difference between $e^*_g$ and $t^*_{2g}$, orbitals evaluated in the MO scheme has little meaning of the unique parameter 10Dq in the crystal field theory, and that such a unique parameter cannot be defined in a rigorous sense in the MO scheme.

• Steel and Composite Structures
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• v.28 no.4
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• pp.509-516
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• 2018

The differential quadrature (DQ) and teaching-learning based optimization (TLBO) methods are coupled to introduce a hybrid numerical method for maximizing fundamental natural frequency of laminated composite skew plates. The fiber(s) orientations are selected as design variable(s). The first-order shear deformation theory (FSDT) is used to obtain the governing equations of the plate. The equations of motion and the related boundary conditions are discretized in space domain by employing the DQ method. The discretized equations are transferred from the time domain into the frequency domain to obtain the fundamental natural frequency. Then, the DQ solution is coupled with the TLBO method to find the maximum frequency of the plate and its related optimum stacking sequences of the laminate. Convergence and applicability of the proposed method are shown and the optimum fundamental frequency parameter of the plates with different skew angle, boundary conditions, number of layers and aspect ratio are obtained. The obtained results can be used as a benchmark for further studies.

• Advances in nano research
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• v.8 no.4
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• pp.283-292
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• 2020

In the present research, differential quadrature (DQ) method has been utilized for investigating free vibrations of porous functionally graded (FG) micro/nano beams in thermal environments. The exact location of neutral axis in FG material has been assumed where the material properties are described via porosity-dependent power-law functions. A scale factor related to couple stresses has been employed for describing size effect. The formulation of scale-dependent beam has been presented based upon a refined beam theory needless of shear correction factors. The governing equations and the associated boundary conditions have been established via Hamilton's rule and then they are solved implementing DQ method. Several graphs are provided which emphasis on the role of porosity dispersion type, porosity volume, temperature variation, scale factor and FG material index on free vibrational behavior of small scale beams.

• Steel and Composite Structures
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• v.12 no.2
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• pp.129-147
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• 2012

In this paper, the thermal buckling analysis of rectangular composite laminated plates is investigated using the Differential Quadrature (DQ) method. The composite plate is subjected to a uniform temperature distribution and arbitrary boundary conditions. The analysis takes place in two stages. First, pre-buckling forces due to a temperature rise are determined by using a membrane solution. In the second stage, the critical temperature is predicted based on the first-order shear deformation theory. To verify the accuracy of the method, several case studies were used and the numerical results were compared with those of other published literatures. Moreover, the effects of several parameters such as aspect ratio, fiber orientation, modulus ratio, and various boundary conditions on the critical temperature were examined. The results confirm the efficiency and accuracy of the DQ method in dealing with this class of engineering problems.

• Journal of the Korean Chemical Society
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• v.20 no.3
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• pp.198-205
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• 1976

The integral Hellmann-Feynman Theorem of Parr is generalized to give a full significance to the off-diagonal form, and certain aspects of it are discussed. By use of the generalized form of the theorem, effects of configuration interaction to the crystal field theory are examined, taking perturbation energies of all order collectively into account. Thus, it is shown that there do not exist, especially when the field is strong, the radial integral which is common to all states characterized by ${\Gamma}$, S and m, and could be parametrized. If, however, one restricts the perturbing excited states only to those angularly undistorted and radially equally distorted, there results simple scaling of the crystal field parameter 10 Dq and Condon-Slater parameter $F^n$ defined within the framework of the classical crystal field theory.

• Proceedings of the KIEE Conference
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• 2009.07a
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• pp.1051_1052
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• 2009

This paper deals with operational characteristic analysis of a single-phase PCS (Power Conditioning System) for PV (Photovoltaic) power generation system with AF (Active Filter) function. The theory of dq transformation has been applied to the control strategy of a single-phase PV power generation system to implement the AF function. Application of the virtual two-phase using phase-shift makes it possible to use the dq theory for the single-phase PV power generation system. The authors are sure that the proposed system is a very useful to compensate harmonics caused by nonlinear loads in a single-phase utility system. In this paper, not only a theoretical aspect of the single-phase PV-AF system is discussed, but also the DSP (Digital Signal Processor) based experiment results are presented to demonstrate the effectiveness of the single-phase PV-AF system.

• Wind and Structures
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• v.26 no.1
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• pp.1-9
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• 2018

This research studies the dynamic analysis of a concrete column reinforced with titanium dioxide ($TiO_2$) nanoparticles under earthquake load. The effect of nanoparticles accumulation in a region of concrete column is examined using Mori-Tanaka model. The structure is simulated mathematically based on the theory of sinusoidal shear deformation theory (SSDT). By calculating strain-displacement and stress-strain relations, the system energies include potential energy, kinetic energy, and external works are derived. Then, using the Hamilton's principle, the governing equations for the structure are extracted. Using these equations, the response of the concrete column under earthquake load is investigated using the numerical methods of differential quadrature (DQ) and Newark. The purpose of this study is to study the effects of percentage of nanoparticles, nanoparticles agglomeration, geometric parameters and boundary conditions on the dynamic response of the structure. The results indicate that by increasing the volume percent of $TiO_2$ nanoparticles, the maximum dynamic deflection of the structure decreases.

• Advances in materials Research
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• v.8 no.4
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• pp.259-274
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• 2019

Flexoelectric effect has a major role on mechanical responses of piezoelectric materials when their dimensions become submicron. Applying differential quadrature (DQ) method, the present article studies dynamic characteristics of a small scale beam made of piezoelectric material considering flexoelectric effect. In order to capture scale-dependency of such piezoelectric beams, nonlocal elasticity theory is utilized and also surface effects are included for better structural modeling. Governing equations have been derived by utilizing Hamilton's rule with the assumption that the scale-dependent beam is subjected to thermal environment leading to uniform temperature variation across the thickness. Obtained results based on DQ method are in good agreement with previous data on pizo-flexoelectric beams. Finally, it would be indicated that dynamic response characteristics and vibration frequencies of the nano-size beam depends on the existence of flexoelectric influence and the magnitude of scale factors.