• Elastomers and Composites
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• v.36 no.2
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• pp.94-101
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• 2001

In this work, the effect of NE plasma treatment generated by radio-frequency was investigated in acid-base surface values, ion adsorption characteristics, and surface free energies of carbon blacks. As the results, it was clearly found that the obvious improvement of the treatment is in the London dispersive component (${\gamma}s^L$) of surface free energy of carbon blacks. Also both electron-acceptor ( ${\gamma}s^+$) and -donor (${\gamma}s^-$) parameters for the specific component (${\gamma}s^{sp}$) were also increased with increasing the treatment time, resulting in increasing the surface functional groups of the carbon blacks studied, together with a consequence of the increases of acidic and basic surface functional groups, ion exchange, zeta potential, and ion mobility.

• Proceedings of the KOSOMBE Conference
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• v.1997 no.11
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• pp.380-384
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• 1997

This study was performed to understand the exogenous-water-drop induced thermomechanical effect on the tooth in the free-running Er:YAG laser mode for the proper use of water as a laser energy absorber and coolant in dentistry. The ree-running Er:YAG laser was used in the dental hard tissue ablation study. A Microjet system was employed to dispense precise water drops. Ablation rate, recoil momentum, and temperature rise in the pulp cavity were measured with and without an exogenous water drop on the tooth surface. Exogenous water enhanced ablation rate in the thick tooth in which the ablation rate on the dry surface does not increase linearly but shows plateau. Optimal exogenous water volume was shifted from 2 nl to 4 nl as the laser energy was increased from 48 mJ to 145 mJ. The magnitude of the recoil momentum was increased as the volume of exogenous water increased. The results of this study suggest that we must pay attention to the recoil momentum or recoil pressure study or the optimal and safe usage of water in the dental treatment because these mechanical effects depend on the volume of exogenous water on the tooth surface.

• Transactions of the Korean hydrogen and new energy society
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• v.29 no.6
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• pp.559-569
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• 2018

Catalytic supports made of carbon have many advantages, such as high coking resistance, tailorable pore and surface structures, and ease of recycling of waste catalysts. Moreover, they do not require pre-reduction. In this study, ash-free coal (AFC) was obtained by the thermal extraction of carbonaceous components from raw coal and its performance as a carbon catalytic support was compared with that of well-known activated carbon (AC). Nickel was dispersed on the carbon supports and the resulting catalysts were applied to the steam reforming of toluene (SRT), a model compound of biomass tar. Interestingly, nickel catalysts dispersed on AFC, which has a very small surface area (${\sim}0.13m^2/g$), showed higher activity than those dispersed on AC, which has a large surface area ($1,173A/cm^2$). X-ray diffraction (XRD) analysis showed that the particle size of nickel deposited on AFC was smaller than that deposited on AC, with the average values on AFC ${\approx}11nm$ and on AC ${\approx}23nm$. This proved that heteroatomic functional groups in AFC, such as carboxyls, can provide ion-exchange or adsorption sites for the nano-scale dispersion of nickel. In addition, the pore structure, surface morphology, chemical composition, and chemical state of the prepared catalysts were analyzed using Brunauer-Emmett-Taylor (BET) analysis, transmission electron microscopy (TEM), scanning electron microscopy (SEM), x-ray diffraction (XRD), Fourier-transform infrared (FT-IR) spectroscopy, and temperature-programmed reduction (TPR).

• Steel and Composite Structures
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• v.42 no.5
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• pp.699-710
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• 2022

This work presents a comprehensive study on the surface energy effect on the axial frequency analyses of AFGM nanorods in cylindrical coordinates. The AFGM nanorods are considered to be thin, relatively thick, and thick. In thin nanorods, effects of the inertia of lateral motions and the shear stiffness are ignored; in relatively thick nanorods, only the first one is considered; and in thick nanorods, both of them are considered in the kinetic energy and the strain energy of the nanorod, respectively. The surface elasticity theory which includes three surface parameters called surface density, surface stress, and surface Lame constants, is implemented to consider the size effect. The power-law form is considered for variation of the material properties through the axial direction. Hamilton's principle is used to derive the governing equations and boundary conditions. Due to considering the surface stress, the governing equation and boundary condition become inhomogeneous. After homogenization of them using an appropriate change of variable, axial natural frequencies are calculated implementing harmonic differential quadrature (HDQ) method. Comprehensive results including effects of geometric parameters and various material properties are presented for a wide range of boundary condition types. It is believed that this study is a comprehensive one that can help posterities for design and manufacturing of nano-electro-mechanical systems.

• Proceedings of the Korea Association of Crystal Growth Conference
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• 1999.06a
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• pp.81-114
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• 1999

The strain, surface and inerfacial energies of III-V ternary systems were calculated for three kinds of structure modes: the Frank-van der Merwe (FM) mode, the Stranski-Krastanov (SK) mode an the Volmer-Wever (VW) mode. The free energy for each mode was estimated as functions of the thickness and composition or lattice misfit. Through comparison of the free energy of each mode, it was found that the thickness-composition phase diagrams of III-V ternary systems can be determined only by considering the balance of the free energy and three kinds of structure modes appear in the phase diagrams. The SK mode appears only when the lattice misfit is large and/or the lattice layer is thick. The most stable structure of the SK mode is a cluster with four lattice layers or minimum thickness on a wetting layer of increasing lattice layers. The VW mode appears when the lattice misfit is large and the lattice layer is thin and only in the InPSb/InP and GaPSb/GaP systems which have the largest lattice misfit of III-V ternary systems. The stable region of the SK mode in the GaPSb/GaP and InPSb/InP phase diagrams is largest of all because the composition dependence of the strain energy of these systems is stronger than that of the other systems. The critical number of lattice layers below which tow-dimensional (2D) layers precede the three-dimensional (3D) nucleation in the SK mode at x=1.0 depnds on the lattice misfit.

• Transactions of the Korean Society of Mechanical Engineers
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• v.11 no.6
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• pp.1026-1035
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• 1987

The injection molding process is used in the fabrication of a large variety of plastic articles. A numerical simulation of the filling stage along the thickness direction is proposed by combining the free surface boundary condition with the relevant governing equations. The mathematical model is based on the equations of continuity, momentum and energy along with inelastic power-law model and relevant boundary conditions. Due to the significant implications for microstructure development in the pro duct, the fountain effect at the advancing free surface is explicitly taken into consideration in the simulation. The model yields data on free surface shape as well as velocity, pressure, temperature and shear stress distributions within the mold cavity. The rearrangement of the velocity and temperature profiles in the vicinity of the melt front is considered in detail.

• Journal of Integrative Natural Science
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• v.5 no.4
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• pp.216-219
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• 2012

Structure-based drug design possibly benefit from in silico methods that precisely predict the binding affinity of small molecules to target macromolecules. There are many limitations arise from the difficulty of predicting the binding affinity of a small molecule to a biological target with the current scoring functions. There is thus a strong interest in novel methodologies based on MD simulations that claim predictions of greater accuracy than current scoring functions, helpful for a regular use designed for drug discovery in the pharmaceutical industry. Herein, we report a short review on free energy calculations using MMPBSA method a useful method in structure based drug discovery.

• Proceedings of the KSME Conference
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• 2002.08a
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• pp.491-494
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• 2002

To assess the electrostatic interaction of surfaces at the triple contact line, the electrostatic field is analyzed by using the finite element method. The Helmholtz free energy is used as a functional which should be minimized under an equilibrium condition. The numerical results are compared with the nonlinear analytical solution for a two-dimensional charged interface and linear solution for a wedge shaped geometry, which shows fairly good agreement. The method is applied to the analysis of electrostatic influence on the contact angle on a charged substrate. The excess free energy found to increase drastically as the contact angle approaches to zero. This excess free energy Plays an opposite role to the Primary electrocapillary effect, as the contact angle gets smaller. This enables an alternative explanation for the contact-angle saturation phenomenon occurring in electrical control of surface tension and contact angle.

• Proceeding of EDISON Challenge
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• 2015.03a
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• pp.70-75
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• 2015

Fasciclin 1 (FAS1) is an extracellular protein whose aggregation in cornea leads to visual impairment. While a number of FAS1 mutants have been studied that exhibit enhanced/decreased aggregation propensity, no structural information has been provided so far that is associated with distinct aggregation potential. In this study, we have investigated the structural and thermodynamic characteristics of the wild-type FAS1 and its two mutants, R555Q and R555W, by using molecular dynamics simulations and three-dimensional reference interaction site model (3D-RISM) theory. We find that the hydrophobic solvent accessible surface area increases due to hydrophobic core repacking in the C-terminus caused by the mutation. We also find that the solvation free energy of the mutants increases due to the enhanced non-native H-bonding. These structural and thermodynamic changes upon mutation contribute to understand the aggregation of these mutants.

• Bulletin of the Korean Chemical Society
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• v.8 no.3
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• pp.158-161
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• 1987

A Series of hydrophilic-hydrophobic copolymeric surfaces of 2-hydroxyethyl methacrylate (HEMA) and various alkyl methacrylate (RMA) have been prepared by in-situ solution copolymerization using a redox radical initiator. Contact angles of various probing fluids on the polymeric surfaces were determined in air (hydrophobic environment) and under water (hydrophilic environment). From contact angle data, the dispersive interaction contribution (${\gamma}^d_s$) and the polar contribution (${\gamma}^p_s$) to the total surface free energy (${\gamma}^d_s$) and interfacial energetic quantities (e.g., water-polymer, liquid-polymer interface, etc.) were estimated by surface and interface physicochemical theory. From the comparison of surface energetic components between hydrophobic and hydrophilic media, it is found that surface and interface energetic components of polymeric surface as a representative low-energy surface are highly dependent on environmental fluids. Also, from the correlation between interfacial energetic results and surface energetic criterion of biocompatibility, we found that HEMA/BMA, HEMA/HMA copolymer systems are in the region of biocompatibility.