• Journal of the Korean Magnetic Resonance Society
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• v.13 no.1
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• pp.35-55
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• 2009

The two correlation times previously obtained in our coupled $^{13}C$ relaxation measurement for the methyl group in 2,6-dichlorotoluene may be used as a criterion for evaluating the reorientation dynamics of an internal rotor. We numerically tested an extended diffusion model and the Smoluchowski diffusion equation to see how the rotational inertial effect and jump character contribute to the internal correlation time ratio of the internal rotor. We also analytically solved the general jump model with three different rate constants in a sixfold symmetric potential barrier. By assuming that the internal rotation of the methyl group in 2,6-dichlorotoluene can be described in terms of jumps among sixfold harmonic potential wells, we can conclude that the jump model satisfactorily reproduce the experimental data and the rate for sixfold jump is at least 1.53 times as great as that of a threefold jump.

• Proceedings of the KIPE Conference
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• 1998.07a
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• pp.63-69
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• 1998

A new current controlled PWM technique with NPC structure is proposed in this paper. A current controlled PWM technique with neutral-point-clamped pulse-width modulation inverter composed of main switching devices which operates as switch for PWM and auxiliary switching devices to clamp the output terminal potential to the neutral point potential is described. The proposed current controller has a first and second current band. The switching pattern will be made by the first current band. According to the second current band, the output state of the switching pattern is changed into positive and negative state. This inverter output contains less harmonic content and lower switching frequency than that of conventional current controlled PWM technique at the same current limit. Two inverters are compared analytically and the performance is investigated by the computer simulation.

• Journal of KSNVE
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• v.4 no.2
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• pp.137-146
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• 1994

An analytical method for linear free vibration of fully liquid-filled circular cylindrical shell with various boundary conditions is developed by the Fourier series expansion based on the Stokes' transformation. A set of modal displacement functions and their derivatives of a circular cylindrical shell is substituted into the Sanders' shell equations in order to explicitily represent the Fourier coefficients as functions of the end point displacements, forces, and moments. For the vibration relevant to the liquid motion, the velocity potential of liquid is assumed as a sum of linear combination of suitable harmonic functions in the axial directions. The unknown parameter of the velocity potential is selected to satisfy the boundary condition along the wetted shell surface. An explicit expression of the natural frequency equation can be obtained for any kind of classical boundary conditions. The natural frequencies of the liquid-filled cylindrical shells with the clamped-free, the clamped-clamped, and the simply supported-simply supported boundary conditions examined in the previous works, are obtained by the analytical method. The results are compared with the previous works, and excellent agreement is found for the natural frequencies of the shells.

• Bulletin of the Korean Chemical Society
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• v.25 no.12
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• pp.1855-1858
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• 2004

Molecular geometries for the cationic and neutral species of OXO (X=Cl, Br, and I) are optimized using the Hartree-Fock (HF) theory, the second order Moller-Plesset perturbation theory (MP2), the density functional theory with the B3LYP hybrid functional (B3LYP), and the coupled cluster theory using single and double excitation with a perturbational treatment of triplet excitation (CCSD[T]) methods, with two basis sets of triple zeta plus polarization quality. The single point calculations for these species are performed at the CCSD(T,Full) level. The harmonic vibrational frequencies for these species are calculated at the HF, MP2, B3LYP and CCSD(T) levels. The adiabatic ionization potential for OIO is calculated to be 936.7 kJ/mol at the CCSD(T,Full) level and the correct value is estimated to be around 945.4 kJ/mol.

• Bulletin of the Korean Chemical Society
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• v.3 no.2
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• pp.44-49
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• 1982

Dynamic and equilibrium structures of a polymer chain immersed in solvent molecules have been investigated by a molecular dynamic method. The calculation employs the Lennard-Jones potential function to represent the interactions between two solvent molecules (SS) and between a constituent particle (monomer unit) of the polymer chain and a solvent molecule (CS) as well as between two non-nearest neighbor constituent particles of the polymer chain (CC), while the chemical bond for nearest neighbor constituent particles was chosen to follow a harmonic oscillator potential law. The correlation function for the SS, CS and CC pairs, the end-to-end distance square and the radius of gyration square were calculated by varying the chain length (= 5, 10, 15, 20). The computed end-to-end distance square and the radius of gyration square were found to be in a fairly good agreement with the corresponding results from the random-flight model. Unlike earlier works, the present simulation rsesult shows that the autocorrelation function of radius of gyration square decays slower than that of the end-to-end distance square.

• Bulletin of the Korean Chemical Society
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• v.4 no.2
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• pp.87-91
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• 1983

Molecular dynamic method has been applied to a single polymer chain immersed in a solvent. The interactions for the pairs, of two solvent molecules (SS), of a chain element and a solvent molecules (CS), and of two non-neighbor chain elements (CC) are given by the Lennard-Jones potential, and the interaction between two bonded chain elements is given by a harmonic potential. We changed the CS interaction parameter ${\varepsilon}_{CS}$ to 0.5, 1.0 and 2.0 times of the SS interaction ${\varepsilon}_{SS}$. We calculated the pair correlation functions for the SS, CS, and CC pairs, end-to-end distance and radius of gyration with the varying ${\varepsilon}_{CS}$ parameters. The results showed that a phase separation occurs between the polymer and solvent in the 0.5 system where ${\varepsilon}_{CS}$ = 0.5 {\varepsilon}_{SS}$. The autocorrelation functions for end-to-end distance and radius of gyration were also calculated.

• Structural Engineering and Mechanics
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• v.81 no.1
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• pp.29-37
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• 2022

The present paper deals with the application of one dimensional piezoelectric materials in particular piezo-thermoelastic nanobeam. The generalized piezo-thermo-elastic theory with two temperature and Euler Bernoulli theory with small scale effects using nonlocal Eringen's theory have been used to form the mathematical model. The ends of nanobeam are considered to be simply supported and at a constant temperature. The mathematical model so formed is solved to obtain the non-dimensional expressions for lateral deflection, electric potential, thermal moment, thermoelastic damping and frequency shift. Effect of frequency and nonlocal parameter on the lateral deflection, electric potential, thermal moment with generalized piezothermoelastic theory are represented graphically using the MATLAB software. Comparisons are made with the different theories of thermoelasticity.

• Journal of Ocean Engineering and Technology
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• v.33 no.4
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• pp.322-329
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• 2019

The magnitude of the roll motion of a floating structure depends on the roll damping acting on the body. In other words, the roll damping of a floating structure must be accurately obtained in order to precisely evaluate the roll motion. Various methods are used to evaluate the roll damping of a floating structure, such as the linear potential theory, computational fluid dynamics (CFD), and model tests. However, it is difficult to evaluate the roll motion of a floating structure with appendages such as a bilge keel and riser slot due to the limitation of ignoring the viscous effects in the linear potential theory. Among these methods, a model test based on a free decay test and harmonic excited roll motion (HERM) is known to be the most reliable method to estimate the roll damping of the floating structures. In this study, model tests using free decay and HERM techniques were performed in the Ocean Engineering Basin (OEB) of KRISO with various types of midship sections. The roll damping results were estimated based on post-processing methods using both techniques, and the roll damping results were compared.

• Coupled systems mechanics
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• v.6 no.4
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• pp.439-464
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• 2017

The hydro-elastic system consisting of a pre-stretched highly elastic plate, compressible Newtonian viscous fluid, and the rigid wall is considered and it is assumed that on the plate a lineal-located time-harmonic force acts. It is required to investigate the dynamic behavior of this system and determine how the problem parameters and especially the pre-straining of the plate acts on this behavior. The elasticity relations of the plate are described through the harmonic potential and linearized (with respect to perturbations caused by external time-harmonic force) form of these relations is used in the present investigation. The plane-strain state in the plate is considered and the motion of that is described within the scope of the three-dimensional linearized equations of elastic waves in elastic bodies with initial stresses. The motion of the fluid is described by the linearized Navier-Stokes equations and it is considered the plane-parallel flow of this fluid. The Fourier transform with respect to the space coordinate is applied for a solution to the corresponding boundary-value problem. Numerical results on the frequency response of the interface normal stress and normal velocity and the influence of the initial stretching of the plate on this response are presented and discussed. In particular, it is established that the initial stretching of the plate can decrease significantly the absolute values of the aforementioned quantities.

• Journal of the Korean Geotechnical Society
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• v.24 no.8
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• pp.13-23
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• 2008

The evaluation of soundness of pile is very important for the safety of super structure. In this paper, the HWAW(Harmonic Wavelet Analysis of Wave) method which is developed to determine phase and group velocities of waves is applied to evaluate integrity of pile non-destructivly. The proposed method can evaluate a soundness of pile and pile end condition which is very important factor for pile behaviour. To verity the applicability of HWAW method in non-destructive test for pile, the numerical simulation test using ABAQUS was performed. And the model pile was made and the proposed non-destructive pile tests were applied to evaluate soundness and end boundary condition of model pile in the air and soil box. Through a numerical simulation and model tests, it is shown that the HWAW method has good potential of applying to the evaluation of pile integrity.