• 대한화학회지
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• 제59권2호
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• pp.117-124
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• 2015

Hydrogen polyoxide, $H_2O_n-H_2O_m$(n=1-4, m=1-4) 이중합체(dimer)의 분자 구조 변화에 따른 수소결합(H-bonding) 효과를 순 이론적(ab initio) 방법과 밀도 범함수 이론(DFT)으로 계산하였다. 분자 구조는 B3LYP, CAM-B3LYP, MP2의 양자역학적 방법들을 사용하여 최적화하였으며, 진동주파수를 계산하여 최저에너지(true local minimum) 구조인 것을 확인하였다. 보다 정확한 수소결합 에너지(${\Delta}E$) 계산을 위하여 CCSD(T) 이론수준에서 한 점(single-point) 에너지 계산을 하였으며, 영점 진동에너지(ZPVE) 보정과 바탕집합 중첩에러(BSSE) 보정을 하였다. CCSD(T)/cc-pVTZ 이론 수준에서 $H_2O_4-H_2O_3$이 8.18 kcal/mol로 가장 강한 결합을 나타내었으며, 물 이중합체($H_2O-H_2O$)는 3.00 kcal/mol로 가장 약한 결합에너지를 나타내었다.

• Structural Engineering and Mechanics
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• 제89권6호
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• pp.557-570
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• 2024

Due to interfacial ageing, chemical action and interfacial damage, the interface debonding may appear in the interfaces of composite laminates. Particularly, the laminates display a side-dependent effect at small scale. In this work, a three-dimensional (3D) and anisotropic thick nanoplate model is proposed to investigate the effects of imperfect interface and nonlocal parameter on the bending deformation, vibrational response and buckling stability of one-dimensional (1D) hexagonal quasicrystal (QC) layered nanoplates. By combining the linear spring model with the transferring matrix method, exact solutions of phonon and phason displacements, phonon and phason stresses of bending deformation, the natural frequencies of vibration and the critical buckling loads of 1D hexagonal QC layered nanoplates are derived with imperfect interfaces and nonlocal effects. Numerical examples are illustrated to demonstrate the effects of the imperfect interface parameter, aspect ratio, thickness, nonlocal parameter, and stacking sequence on the bending deformation, the vibrational response and the critical buckling load of 1D hexagonal QC layered nanoplate. The results indicate that both the interface debonding and nonlocal effect can reduce the stiffness and stability of layered nanoplates. Increasing thickness of QC coatings can enhance the stability of sandwich nanoplates with the perfect interfaces, while it can reduce first and then enhance the stability of sandwich nanoplates with the imperfect interfaces. The biaxial compression easily results in an instability of the QC layered nanoplates compared to uniaxial compression. QC material is suitable for surface layers in layered structures. The mechanical behavior of QC layered nanoplates can be optimized by imposing imperfect interfaces and controlling the stacking sequence artificially. The present solutions are helpful for the various numerical methods, thin nanoplate theories and the optimal design of QC nano-composites in engineering practice with interfacial debonding.

• Smart Structures and Systems
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• 제18권6호
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• pp.1087-1109
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• 2016

In this manuscript, the small scale and thermal effects on vibration behavior of preloaded nanobeams with non-ideal boundary conditions are investigated. The boundary conditions are assumed to allow small deflections and moments and the concept of non-ideal boundary conditions is applied to the nonlocal beam problem. Governing equations are derived through Hamilton's principle and then are solved applying Lindstedt-Poincare technique to derive fundamental natural frequencies. The good agreement between the results of this research and those available in literature validated the presented approach. The influence of various parameters including nonlocal parameter, thermal effect, perturbation parameter, aspect ratio and pre-stress load on free vibration behavior of the nanobeams are discussed in details.

• Smart Structures and Systems
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• 제22권5호
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• pp.527-546
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• 2018

This article presents an analysis into the nonlinear forced vibration of a micro cylindrical shell reinforced by carbon nanotubes (CNTs) with considering agglomeration effects. The structure is subjected to magnetic field and transverse harmonic mechanical load. Mindlin theory is employed to model the structure and the strain gradient theory (SGT) is also used to capture the size effect. Mori-Tanaka approach is used to estimate the equivalent material properties of the nanocomposite cylindrical shell and consider the CNTs agglomeration effect. The motion equations are derived using Hamilton's principle and the differential quadrature method (DQM) is employed to solve them for obtaining nonlinear frequency response of the cylindrical shells. The effect of different parameters including magnetic field, CNTs volume percent and agglomeration effect, boundary conditions, size effect and length to thickness ratio on the nonlinear forced vibrational characteristic of the of the system is studied. Numerical results indicate that by enhancing the CNTs volume percent, the amplitude of system decreases while considering the CNTs agglomeration effect has an inverse effect.

• E2M - 전기 전자와 첨단 소재
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• 제7권6호
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• pp.473-480
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• 1994

The electron tunnel effect in polvimide LB films sandwiched between metal electrodes has been investigated in the present work by a study of both the elastic and inelastic tunneling components. By the results of elastic tunneling experiments in Au/Pl/Au tunneling junction, we can judge the height and thickness of tunnel barrier. The inelastic current in Inelastic Electron Tunneling Spectroscopy(IETS) is due to the interaction of the tunneling electron with the vibrational modes of the molecular species in the barrier. Measurements are done on Au/PI/Pb tunneling junctions. The spectra obtained are the second derivatives of the current-voltage characteristics of these junctions : specifically, d$^{2}$1/dV$^{2}$ as a function of voltage V. Because the energies measured by IETS can be directly compared to those measured by infrared and Raman spectroscopy, IR-RAS spectroscopy also measured for reference.

• 한국정밀공학회:학술대회논문집
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• 한국정밀공학회 2002년도 춘계학술대회 논문집
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• pp.795-798
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• 2002

In this investigation, experimental attempts were made to observe and determine the variations in elastic of the PVC depending on the amounts of MBS added to the mixture, PVC/MBS, and also on the thicknesses of the specimens. An acoustic resonance technique was used for the tests in this investigation. It serves as a method to characterize properties of materials set in vibrational motions, which is initiated by low level stresses generated by externally supplied acoustic energy. Substantial variations were observed in the test results with the addition of the MBS to the PVC. It was found that the magnitudes of elastic constants decrease when MBS rubber was added in the range up to 9 phr and the shape factor effect in torsional vibration is more significant than the shape factor effect in flexural vibration.

• 한국소음진동공학회:학술대회논문집
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• 한국소음진동공학회 2002년도 추계학술대회논문집
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• pp.921-926
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• 2002

In this study, we investigate the plugging effect on the CE type steam generator tube. The natural frequency and mode shape will be changed due to decrease of the effective mass distribution along the tube. We compared the variation of stability ratio for plugged tube with that for unplugged one. The natural frequency increased because of removing the cooling water inside the steam generator tube, but the stability ratio decreased inversely because of changing the vibrational model shape. We also investigated the turbulent excitation effect.

• 한국소음진동공학회:학술대회논문집
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• 한국소음진동공학회 2002년도 추계학술대회논문초록집
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• pp.390.1-390
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• 2002

In this study, we investigate the plugging effect on the CE type steam generator tube. The natural frequency and mode shape will be changed due to decrease of the effective mass distribution along the tube. We compared the variation of stability ratio for plugged tube with that fur unplugged one. The natural frequency increased because of removing the cooling water inside the steam generator tube, but the stability ratio decreased inversely because of changing the vibrational mode shape. We also investigated the turbulent excitation effect.

• 오토저널
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• 제6권2호
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• pp.39-46
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• 1984

There are various ringshaped automotive and machine parts and the study about the characteristics of ring are the important basis of the quality control and performance improvement of outer race of ball bearing, railwheel, ring gear, piston ring, and other ringshaped seals, etc. In this study, the effect of prestress which arise inevitably during the fitting of the ring shape parts and the effect of central line extension/contraction on the vibrational characteristics of ring are verified. Although many studies are made on the vibration of ring, the study about prestress and extension were rather scarce and rare. As a result of the study, a series of frequency formulas are derived. The result of this study can be utilized in the improvement of design as well as in the quality control during the fitting work.

• 한국소음진동공학회논문집
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• 제19권12호
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• pp.1244-1251
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• 2009

In this paper the vibrational behavior of a multi-packet blade system having a cracked blade is investigated. Each blade is assumed as a slender cantilever beam. The coupling stiffness effect that originates from either disc flexibility or shroud is considered in the modeling. Hybrid deformation variables are employed to derive the equations of motion. The flexibility due to crack, which is assumed to be open during the vibration, is calculated basing on a fracture mechanics theory. In the paper, the results of the change in modal parameters due to crack appearance are presented. The influence of the crack parameters, especially of the changing location of the crack is examined.