• Bulletin of the Korean Chemical Society
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• 제32권12호
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• pp.4195-4198
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• 2011

Intramolecular ${\pi}-{\pi}$ and ${\sigma}-{\pi}$ interactions are omnipresent for numerous energetic and structural phenomena in nature, and the exact description of these nonbonding interactions plays an important role in the accurate prediction of the three-dimensional structures for numerous interesting molecular systems such as protein folding and polymer shaping. We have selected two prototype molecular systems for benchmarking calculations of intramolecular ${\pi}-{\pi}$ and ${\sigma}-{\pi}$ interactions. Accurately describing conformational energy of such systems requires highly elaborate but very expensive ab initio methods such as coupled cluster singles, doubles, and (triples) (CCSD(T)). Our calculations reveal a double hybrid density functional incorporating dispersion correction (B2PLYP-D) that agrees excellently with the CCSD(T) results, indicating that B2PLYP-D can serve as a practical method of choice.

• 한국소음진동공학회논문집
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• 제15권4호
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• pp.382-387
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• 2005

For successful guided-wave damage inspection, the appropriate signal processing of measured wave signals is very important. The objective of this paper is to introduce an efficient signal processing technique especially suitable for the guided-waves used for damage detection. The key idea of this technique is to model guided-waves by chirp functions of special form considering the dispersion phenomenon. To determine the parameter of the chirp functions simulating guided-waves, the matching pursuit algorithm is employed. The damage information in waveguides can be extracted by pulse-characterizing parameters. The effectiveness of present method is checked with the guided wave-based damage inspection.

• 한국환경과학회지
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• 제26권1호
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• pp.1-10
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• 2017

In this study, poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV)/graphene oxide (GO) nanocomposite films containing various content of GO were prepared using solution casting method. The effect of GO content on Young's modulus and dispersion of GO in PHBV matrix was investigated. Also, the thermomechanical properties, oxygen transmission rates and hydrolytic degradation of PHBV/GO nanocomposite films were studied. The addition of GO into PHBV improves the Young's modulus and decreases thermal expansion coefficient. The improvement can be mainly attributed to good dispersion of GO and interfacial interactions between PHBV and GO. Furthermore, PHBV/GO nanocomposite films show good oxygen barrier properties. PHBV/GO nanocomposites show lower hydrolytic degradation rates with increasing content of GO.

• Interaction and multiscale mechanics
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• 제6권1호
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• pp.1-14
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• 2013

The aim of this paper is to study the propagation of torsional surface waves in non-homogeneous isotropic layer of finite thickness placed over a homogeneous viscoelastic half-space, when both density and rigidity of the non-homogeneous medium are assumed to vary exponentially with depth. The frequency equations are obtained by using simple method of separation of variables. Further, it is seen that when viscoelastic parameter and non-homogeneity parameter is neglected, the dispersion equation gives the dispersion equations of Love waves in homogeneous, elastic and isotropic layer placed over homogeneous viscoelastic medium. The problem has been solved numerically and the effects of various inhomogeneities of the medium on torsional waves have been illustrated graphically.

• Journal of Advanced Marine Engineering and Technology
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• 제8권2호
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• pp.88-97
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• 1984

The combustion process and the performance of a diesel engine are considerably affected by the characteristics of fuel spray. It is known that the spray of swirl nozzle for diesel engine injector of small orifice ratio becomes soft spray that has no core, therefore its penetration, one of the characteristics of spray becomes werse inspite of its good dispersion. In this paper, the spray characteristics of variously designed swirl nozzle for diesel injector were investigated by the photographic method. The nozzles, used in this experiment, vary in the diameter of swirl chambers and orifice ratio. From the results of the study, the sprays of this type nozzle of optimum swirl chamber and orifice ratio show that penetration decreased slightly but dispersion and spray volume increased remarcably, compared with unswirled single hole nozzle of the same size. It was suggested as a reason for the results, that the spray of this type swirl nozzle is similar to hard spray, therefore the core of the spray sustains good penetration considerably.

• 한국대기환경학회지
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• 제33권1호
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• pp.45-53
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• 2017

A high resolution model is proposed for calculating the temperature field of a large city, based upon a Lagrangian particle model. Utilizing the analogy between the heat and mass transport phenomena in turbulent flows, a Lagrangian particle model, originally developed for air pollutant dispersion problems, is adapted for simulating heat transport. In the model conceptual heat particles are released into the atmosphere from the heat sources and move along with the turbulent winds in accordance with the Markov process. The potential temperature assumed to be conserved along with heat particles serves as a tag, so the temperature fields can be deduced from the distribution of particles. The wind fields are constructed from a diagnostic meteorology model incorporating a morphological model designed for building flows. Test run shows the robustness of the modeling system.

• 한국지하수토양환경학회:학술대회논문집
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• 한국지하수토양환경학회 2005년도 총회 및 춘계학술발표회
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• pp.304-307
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• 2005

A numerical modelling method using a backward-in-time advection dispersion equation is introduced in assessing the vulnerability of groundwater to contaminants as an alternative to classical vulnerability mapping methods. The flux and resident concentration measurements are normalized by the total contaminants mass released to the system to provide the travel time probability density function and the location probability function. With the results one can predict the expected travel time of a contaminant from up stream location to a well and also the relative concentration of the contaminant at a well. More specific groundwater vulnerability can be mapped by these predicted measurements.

• 천문학회지
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• 제40권1호
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• pp.29-36
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• 2007

The smoothed particle hydrodynamics (SPH) method is applied to construct the dispersion of fluctuations in quasi-hydrostatic configuration of an isothermal self-gravitating slab. The uncertainty of the implementation is evaluated, and a novel technique (acceleration error) is proposed to weaken this uncertainty. The two-fluid quasi-hydrostatic diffusion of small fluctuations is used to support the importance of the acceleration error. The results show that the uncertainty converges to a few percent by increasing of the SPH particle numbers. Considering the acceleration error weakens the uncertainty, and prohibits the serious dynamical consequences in slow dispersion of fluctuation in the quasi-hydrostatic evolution of the slab.

• Carbon letters
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• 제11권4호
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• pp.298-303
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• 2010

A method of functionalization of multi-walled carbon nanotube (MWNT) at room temperature using dry ozone gas is described. The resulting MWNT were characterized by Fourier transform infrared, x-ray photoelectron spectroscopy, and scanning electron microscopy. Combined to these analyses and solubility in liquids, it could be concluded that the dry ozone gas exposure introduces polar functional groups such as carboxylic groups to MWNT similar to acidic modification of MWNT. Particularly, the stable dispersion of MWNT in water after ozone treatment above a critical level could be obtained, implying potential bio-application. The hydrophilic functional groups on the MWNT introduced by ozone oxidation were helpful in improving the interaction with functional groups in PA6 such as $-NH_2$ and -CONH- resulting in improved mechanical properties.

• 한국재료학회지
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• 제17권2호
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• pp.86-90
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• 2007

The organic-capped Ba-Ti-O nanolayers were coated uniformly on spherical Ni particles for multilayer ceramic capacitor (MLCC) applications via the formation of Ti-hydroxide nano-coating layers and their subsequent reaction with Ba-stearate at $180^{\circ}C$. The capping of organic shell on oxide coating layer changed the hydrophilic surface structure into hydrophobic one, which significantly improved the dispersion behavior in hydrophobic solvents such as terpineol and butanol. In addition, the uniform coating of Ba-Ti-O layer was advantageous to prevent Ni oxidation. This method provides a useful chemical route to fabricate organic-soluble Ba-Ti-O coated Ni particles for a highly integrated passive component.