• Proceeding of EDISON Challenge
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• 2016.03a
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• pp.8-14
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• 2016

화학 결합을 이해하는 중요한 방법 중 하나는 결합이 가지는 고유한 진동 모드를 분석하는 것이다. 진동 모드의 변화를 관측함으로써 다양한 외부 자극과 분자의 상호작용에 대한 연구도 가능하다. 본 연구에서는 전기장이 가해진 물 분자의 진동 모드 변화를 분석함으로써 전기장과 물분자의 상호작용이 화학 결합에 미치는 영향을 알아보았다. 물 분자의 특정 O-H 결합 방향으로 전기장을 걸어주었을 때 신축 진동수의 변화를 살펴봄으로써 결합의 변화를 분석했다. 전기장에 따른 결합의 진동수 변화를 vibrational Stark effect (VSE)라 하고 그 정도를 Stark tuning rate ${\Delta}{\mu}$ ($={\Delta}v/{\Delta}E$, ${\Delta}v$ :진동수의 변화, ${\Delta}E$: 전기장의 변화)로 정의한다. 이때 Stark tuning rate에 영향을 미치는 요소는 전기장에 의한 (1) 분자 구조 변화(geometric effect)와 (2) 전자 구조의 분극현상(polarization effect)으로 나누어 생각해 볼 수 있다. 본 연구에서 물 단일체, 이중체, 사중체의 O-H 결합에 대해 살펴본 결과, VSE 효과에 주로 영향을 미치는 것은 전기장에 의한 구조 변화인 것으로 나타났다. 이를 통해 전기장이 주는 전자 구조 분극 효과는 크지 않지만 이를 통해 유발되는 구조 변화에 의해 진동수 (또는 화학 결합의 세기)가 크게 변한다는 것을 알 수 있다. 그렇기 때문에 수소 결합 안정화로 인해 구조 변화가 쉬운 물 이중체, 사중체에서 VSE 효과가 크게 나타났다. 추가적으로 물 클러스터에서 형성되는 내부 전기장과 O-H 결합의 포텐셜 비조화성(anharmonicity)이 VSE에 주는 영향에 대한 연구도 수행하였다.

• Journal of the Korean Chemical Society
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• v.36 no.5
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• pp.627-631
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• 1992

A simple one dimensional model was proposed to describe a hydrogen bonding in crystals, which was based on the Lippincott's empirical potential. The model was used to calculate internal stretching vibrational frequencies of $NH_4I$ crystal at high pressures. The calculated results were in agreement with Raman experimental results qualitatively. At relatively lower high pressures, as pressure increases internal stretching vibrational frequencies shift lower due to increase of the hydrogen bonding effect. At higher pressures, the frequencies shift higher due to the repulsive contribution of interatomic potential induced by the reduction of interatomic distance as pressure increases.

• Proceedings of the Korean Society of Machine Tool Engineers Conference
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• 2000.04a
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• pp.321-325
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• 2000

To obtain precise surface and high productivity, high speed end milling has been studied recently. Though high speed end milling is explicitly effective for precision surface generation geometrically, tool deflection, chatter vibration and frequency characteristics of end milling system deteriorate the theoretical surface. In this study, simulation algorithm and programming method are suggested to simulate machined surface using acceleration signal in high speed end milling. This simulation is conducted by considering vibrational effect of spindle system which was not considered by other researchers. Between simulated results and experiment results, good agreements were obtained.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.25 no.2
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• pp.228-234
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• 2001

To obtain precise machined surface and high productivity in machining, high speed end milling has beed studied recently. Though high speed end milling is explicitly effective for precision surface generation geometrically, tool deflection, chatter vibration and frequency characteristics of end milling system deteriorate the theoretical surface. In this study, simulation algorithm and programming method are suggested to simulate machined surface using acceleration signal in high speed end milling. This simulation is conducted by considering vibrational effect of spindle system which was not considered by other investigators. Good agreements were obtained between simulated results and experimental results.

• Biomaterials and Biomechanics in Bioengineering
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• v.5 no.1
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• pp.1-10
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• 2020

This paper investigated vibrational behavior of the osteon as bone unit in the different situations. This study can lead to increase our knowledge of our body. In this paper free vibration of the osteon with considering it as composite material has been studied. The effect of numbers of lamellae and radius of those on natural frequency of osteon are subtle; while thickness of lamellae have decreasing trend on natural frequency of osteon. The presence of nerve and blood in haversian canal change trend of natural frequency, absolutely. Using the nonlocal strain gradient theory(NSGT) leads to effectiveness of scale parameter on equations of motion and the obtained results. The governing equations are derived by Hamilton's principles. A parametric study is presented to examine the effect of various parameters on vibrational behaviour of osteon. The results can also be regarded as a benchmark in vibration analysis behavior of osteon as bone unite.

• Advances in nano research
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• v.8 no.4
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• pp.293-305
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• 2020

In the current research, the free vibrational behavior of the FG nano-beams integrated in the hygro-thermal environment and reposed on the elastic foundation is investigated using a novel integral Timoshenko beam theory (ITBT). The current model has only three variables unknown and requires the introduction of the shear correction factor because her uniformed variation of the shear stress through the thickness. The effective properties of the nano-beam vary according to power-law and symmetric sigmoid distributions. Three models of the hygro-thermal loading are employed. The effect of the small scale effect is considered by using the nonlocal theory of Eringen. The equations of motion of the present model are determined and resolved via Hamilton principle and Navier method, respectively. Several numerical results are presented thereafter to illustrate the accuracy and efficiency of the actual integral Timoshenko beam theory. The effects of the various parameters influencing the vibrational responses of the P-FG and SS-FG nano-beam are also examined and discussed in detail.

• Bulletin of the Korean Chemical Society
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• v.35 no.9
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• pp.2774-2780
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• 2014

A dynamics study of relaxation and fragmentation of icosahedral argon cluster with a vibrationally excited $Ar_2^+$ (${\nu}$) is presented. Local translation is shown to be responsible for inducing energy flow from the embedded ion to host atoms and fragmentation of the cluster consisting of various low frequency modes. The total potential energy of $(Ar_2^+)Ar_{12}$ is formulated using a building-up procedure of host-guest and host-host interactions. The time dependence of ion-to-host energy transfer is found to be tri-exponential, with the short-time process of ~100 ps contributing most to the overall relaxation process. Relaxation timescales are weakly dependent on both temperature (50-300 K) and initial vibrational excitation (${\nu}$ = 1-4). Nearly 27% of host atoms in the cluster with $Ar_2^+$ (${\nu}$ = 1) fragment immediately after energy flow, the extent increasing to ~43% for ${\nu}$ = 4. The distribution of fragmentation products of $(Ar_2^+)Ar_{12}{\rightarrow}(Ar_2^+)Ar_n+(12-n)Ar$ are peaked around $(Ar_2^+)Ar_8$. The distribution of dissociation times reveals fragmentation from one hemisphere dominates that from the other. This effect is attributed to the initial fragmentation causing a sequential perturbation of adjacent atoms on the same icosahedral five-atom layer.

• Journal of the Korean Chemical Society
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• v.51 no.2
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• pp.125-128
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• 2007

In applying Numerov-Cooley method, Excel tool ‘Solver' is used to match those two wave functions propagated inward and outward, respectively. It is numerically confirmed that the same eigenvalue is obtained by using the average of two energy values of each inward and outward wave functions. This method is applied to a NO molecule potential, and we calculated the variations of the average bond distance and tunneling for a given vibrational energy. It is found that the average bond lengths increase proportionately to the vibrational energy, while the tunneling is not so sensitive to the energy changes. Rather substantial amount of tunnel effect is found for every vibrational state.

• Journal of the Korean Institute of Gas
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• v.13 no.1
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• pp.1-8
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• 2009

Recently, the vibration of underground structure due to high speed railway loads has been increased substantially as compared with middle and slow speed. The buried gas pipelines under continuous impact forces and repeated loading are more influenced by the vibrational loads than another pipelines. However, the static analysis was not enough to allow for the effect of vibrations because it uses impact factors for the design or analysis process. In this study, characteristics of Pipelines was quantitatively estimated through each conditions of soil covers and train speed, and the new vibration prediction is presented about the vibrational velocity.

• Transactions of the Korean Society of Automotive Engineers
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• v.2 no.3
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• pp.21-32
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• 1994

The Problem of mechanical vibration is investigated for an automotive exhaust system. The vibrational reduction effect is systematically evaluated according to the attachment of the exhaust system. Moreover, the optimal attachment position of bellows is determined from the viewpoint of vibration isolation. The structure is analysed by the finite element technique where the geometry, the mass, the stiffness and the damping properties of the exhaust pipe are modeled. The validity of the developed model is verified by comparing with the experimental results. An optimization is carried out by the quadratic approximation algorithm. The reaction transferred to an automobile body by the hanger is considered ad the objective function. It is shown that the exhaust system which has the bellows at the optimal position is more effective for the vibrational characteristics than the others. It is also proved that this analytical method is quite useful in the design stage of the exhaust system.