• 한국원자력학회:학술대회논문집
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• 한국원자력학회 1998년도 춘계학술발표회논문집(2)
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• pp.279-284
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• 1998

Applicability of the threshold burnup for rim formation was investigated as a function of temperature by Rest's model. The threshold burnup was the lowest in the intermediate temperature region, while on the other temperature regions the threshold burnup is higher. The rim porosity was predicted by the van der Waals equation based of the rim pore radius of 0.75${\mu}{\textrm}{m}$ and the overpressurization model on rim pores. The calculated centerline temperature is in good agreement with the measured temperature. However, more efforts seem to be necessary for the mechanistic model of the rim effect including rim growth with the fuel burnup.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2007년도 춘계학술대회A
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• pp.332-336
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• 2007

Temperature is an essential process variable in nanoimprint lithography(NIL) where the temperature varies between room temperature and above the glass transition temperature. To simulate NIL process, we employ both the Nose-Poincare method for temperature controlled molecular dynamics(MD) and force field for polymer material i.e. polymethyl methacrylate(PMMA), which is most widely selected as NIL resist. Nose-Poincare method, which convinces the conservation of Hamiltonian structure and time-reversal symmetry, overcomes the drawbacks inherent in the conventional methods such as Nose thermostat and Nose-Hoover thermostat. Thus, this method exhibits enhanced numerical stability even when the temperature fluctuation is large. To describe PMMA, we adopt the force field which account for bond stretch, bending, torsion, inversion, partial charge, and van der Waals energy.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2011년도 춘계학술대회 초록집
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• pp.150.2-150.2
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• 2011

Unlike non-ionic clathrate hydrates stably formed by van der Waals interaction between a guest molecule and a surrounding host framework, ionic clathrate hydrates are stabilized by ionic interaction between an ionic guest molecule and the host water-framework. Here, we firstly described the stable entrapment of the superoxide ions in ${\gamma}$-irradiated $Me_4NOH+O_2$ hydrate. Owing to peculiar direct guest-guest ionic interaction, the lattice structure of ${\gamma}$-irradiated $Me_4NOH+O_2$ hydrate shows significant change of lattice contraction behavior even at relatively high temperature(120K). Particularly, we note that ionic-induced dimensional change is much greater than thermal-induced change. Such findings are expected to provide useful information for a better understanding of unrevealed nature of clathrate hydrate fields.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2007년도 춘계학술대회
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• pp.477-480
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• 2007

Hydrate phase equilibrium for the binary CO2+water and CH4+water mixtures in silica gel pore of nominal 6, 30, and 100 nm were measured and compared with the cacluated results based on van der Waals and Platteeuw model. At a specific temperature three-phase hydrate-water-vapor (HLV) equilibrium curves for pore hydrates were shifted to the higher-pressure condition depending on pore sizes when compared with those of bulk hydrates. Notably, hydrate phase equilibria for the case of 100 nominal urn pore size were nealy identical with those of bulk hydrates. The activities of water in porous silica gels were modified to account for capillary effect, and the calculation results were generally in good agreement with the experimental data.

• 한국소음진동공학회논문집
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• 제20권6호
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• pp.593-603
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• 2010

In this paper, vibration and flow-induced flutter instability analysis of cantilever multi-wall carbon nanotubes conveying fluid and modelled as a thin-walled beam is investigated. Non-classical effects of transverse shear and rotary inertia and van der Waals forces between two walls are incorporated in this study. The governing equations and the associated boundary conditions are derived through Hamilton's principle. Numerical analysis is performed by using extend Galerkin method which enables us to obtain more exact solutions compared with conventional Galerkin method. Cantilevered carbon nanotubes are damped with decaying amplitude for flow velocity below a certain critical value, however, beyond this critical flow velocity, flutter instability may occur. Variations of critical flow velocity with both radius ratio and length of carbon nanotubes are investigated and pertinent conclusion is outlined.

• 진공이야기
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• 제3권1호
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• pp.9-15
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• 2016

Molybdenum disulfide ($MoS_2$), which has 0.65 nm-thick atomic layer, can be easily separated layer by layer due to weak van der Waals interactions in out-of-plane direction. ($MoS_2$), has a good potential in nanoelectronics, because it has high electrical mobility and On/Off ratio. Its band gap energy changes from indirect to direct band gap energy as it goes from bulk to monolayer. Therefore, atomically thin ($MoS_2$), is widely studied in academic and engineering fields. Here, we introduce the research of atomically thin $MoS_2$ and discuss the research directions.

• Macromolecular Research
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• 제8권5호
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• pp.224-230
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• 2000

Molecular mechanics technique has been used for finding energy-minimized conformation to understand the mechanism of yielding of glassy polymers in atomistic level. As a model polymer, amor- phous isotactic polypropylene (iPP) was generated by molecular mechanics and molecular dynamics methods. The stress-strain cone was successfully obtained by using molecular mechanics technique. The torsional angle distribution showed no significant change during extension, although the torsional angles of certain bonds in polymer backbone changed more largely than other bonds. No significant change in the van der Waals interaction is observed at yielding point, whereas the torsional angle energy starts to decrease at yield strain.

• Bulletin of the Korean Chemical Society
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• 제26권4호
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• pp.585-588
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• 2005

Bipyridine and its derivatives have been widely used as the ligands in transition metal complexes. The proton affinities of pyridine derivatives were calculated using an ab initio quantum mechanical method (B3LYP with various double zeta and triple zeta basis sets) in combination with the Poisson-Boltzmann continuum solvation model. Van der Waals radii of the atoms in the heterocyclic rings for the solvation energy calculation were set to values determined to reproduce the $pK_a$ values of guanine and oxoguanine derivatives and that of chlorine was optimized to reproduce the experimental values of relating compounds. The $pK_a$ values for the heterocyclic ring compounds were in agreement with the experimental values with a mean unsigned error of 0.45 $pK_a$ units.

• Advances in nano research
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• 제9권4호
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• pp.277-294
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• 2020

In current paper, nonlocal (NLT), nonlocal strain gradient (NSGT) and Gurtin-Murdoch surface/interface (GMSIT) theories with classical theory (CT) are utilized to investigate vibration and stability analysis of Double Walled Piezoelectric Nanosensor (DWPENS) based on cylindrical nanoshell. DWPENS simultaneously subjected to direct electrostatic voltage DC and harmonic excitations, structural damping, two piezoelectric layers and also nonlinear van der Waals force. For this purpose, Hamilton's principle, Galerkin technique, complex averaging and with arc-length continuation methods are used to analyze nonlinear behavior of DWPENS. For this work, three nonclassical theories compared with classical theory CT to investigate Dimensionless Natural Frequency (DNF), pull-in voltage, nonlinear frequency response and stability analysis of the DWPENS considering the nonlocal, material length scale, surface/interface (S/I) effects, electrostatic and harmonic excitation.

• Bulletin of the Korean Chemical Society
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• 제28권3호
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• pp.421-426
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• 2007

A linking ligand containing sulfur donor atoms in the terminal thiophene rings, 1,2-bis(thiophen-2-ylmethylene) hydrazine (L), was prepared by Schiff-base condensation. Ligand L reacted with [PdCl2(NCPh)2] to produce a molecular Pd compound [PdL2Cl2] (1). On the other hand, it reacted with AgNO3 and AgClO4 to produce a 2-D network [AgL0.5(NO3)] (2) and a 1-D polymer [AgL]ClO4 (3), respectively, whose structures are based on secondary intermolecular forces such as H-bonding, van der Waals interaction, and π-π stacking. Polymer 2 exhibited photoluminescence at room temperature in the solid state.