• Journal of the Korean Electrochemical Society
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• v.11 no.4
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• pp.227-241
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• 2008

This article involves a unified treatment of equilibrium thermodynamics of the chemical reaction coupled with other interfacial (phase boundary) reactions. The modified (restrictive) chemical potential ${\mu}_k^+$, such as electrochemical potential, hydrostatic-chemical (mechanochemical) potential (exceptionally in the presence of the pressure difference) and surface-chemical potential, was first introduced under the isothermal and isobaric conditions. This article then enlightened the equilibrium conditions in case where the release of chemical energy is counterbalanced by the supply of electrical energy, by the supply of hydrostatic work (exceptionally in the presence of ${\Delta}p$), and finally by the release of surface energy, respectively, at constant temperature T and pressure p in terms of the modified chemical potential ${\mu}_k^+$. Finally, this paper focussed on the difference between chemical and electrochemical equilibria based upon the fundamentals of the isothermal and isobaric equilibrium conditions described above.

• Korean Journal of Materials Research
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• v.15 no.9
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• pp.566-576
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• 2005

This paper describes an ab Initio study on interface energies, misfit strain energies, and electron structures at coherent interfaces Fe(bcc structure)/MCs(NaCl structure M=Ti, Zr, Hf). The interface energies at relaxed interfaces Fe/TiC, Fe/ZrC and Fe/HfC were 0.263, 0.153 and $0.271 J/m^2$, respectively. It was understood that the dependence of interface energy on the type of carbide was closely related to changes of the binding energies between Fe, M and C atoms before and after formation of the interfaces Fe/MCs with the help of the DLP/NNBB (Discrete Lattice Plane/ Nearest Neighbour Broken Bond) model and data of the electron structures. The misfit strain energies in Fe/TiC, Fe/ZrC and Fe/HfC systems were 0.390, 1.692 and 1.408 eV per 16 atoms(Fe: 8 atoms and MC; 8 atoms). More misfit energy was generated as difference of lattice parameters between the bulk Fe and the bulk MCs increased.

• Composites Research
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• v.31 no.5
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• pp.282-287
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• 2018

In this paper, we explore interfacial properties of the mineralized CNTs when they are employed as reinforcing fillers in a polymer nanocomposite using molecular dynamics (MD) simulations. Recently, several studies on mineralizing carbon nanotubes (CNTs) with an aid of nitrogen doping to CNTs have been reported. However, there is a lack of studies on the reinforcing effects of the mineralized CNTs when it is employed as a filler of nanocomposites. Silica ($SiO_2$) is used as a mineral material and poly (methyl metacrylate) (PMMA) is used as a polymer matrix. Pull-out simulations are conducted to obtain the interfacial energy and the interfacial shear stress. It was found that the silica mineralized CNTs have higher interfacial interaction with the polymer matrix. In the future, by examining various thermomechanical properties of the mineralized-CNT-filler/polymer nanocomposites, we will search for potential applications of the novel reinforcing filler.

• International Journal of Highway Engineering
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• v.17 no.3
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• pp.77-83
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• 2015

PURPOSES : In this study, a fracture-based finite element (FE) model is proposed to evaluate the fracture behavior of fiber-reinforced asphalt (FRA) concrete under various interface conditions. METHODS : A fracture-based FE model was developed to simulate a double-edge notched tension (DENT) test. A cohesive zone model (CZM) and linear viscoelastic model were implemented to model the fracture behavior and viscous behavior of the FRA concrete, respectively. Three models were developed to characterize the behavior of interfacial bonding between the fiber reinforcement and surrounding materials. In the first model, the fracture property of the asphalt concrete was modified to study the effect of fiber reinforcement. In the second model, spring elements were used to simulated the fiber reinforcement. In the third method, bar and spring elements, based on a nonlinear bond-slip model, were used to simulate the fiber reinforcement and interfacial bonding conditions. The performance of the FRA in resisting crack development under various interfacial conditions was evaluated. RESULTS : The elastic modulus of the fibers was not sensitive to the behavior of the FRA in the DENT test before crack initiation. After crack development, the fracture resistance of the FRA was found to have enhanced considerably as the elastic modulus of the fibers increased from 450 MPa to 900 MPa. When the adhesion between the fibers and asphalt concrete was sufficiently high, the fiber reinforcement was effective. It means that the interfacial bonding conditions affect the fracture resistance of the FRA significantly. CONCLUSIONS : The bar/spring element models were more effective in representing the local behavior of the fibers and interfacial bonding than the fracture energy approach. The reinforcement effect is more significant after crack initiation, as the fibers can be pulled out sufficiently. Both the elastic modulus of the fiber reinforcement and the interfacial bonding were significant in controlling crack development in the FRA.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.02a
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• pp.359-360
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• 2013

The effect of electrode and deposition methods on non-linear interfacial resistive switching in HfO2 based $250{\times}250$ nm2 cross-point device was studied. HfO2 based device has the interfacial resistive switching properties of non-linearity and self-compliance current switching. The operating current in HfO2 based device was increased with negatively increasing the heat of formation energy in top electrode. Also, it was investigated that the operating current in HfO2 based device was changed with deposition methods of O3 reactant ALD, H2O reactant ALD and dc reactive sputtering, resulting the magnitude of the operating current and on/off ratio in order of HfO2 films deposited by dc reactive sputtering, H2O reactant ALD, and O3 reactant ALD. To investigate the effect of electrode and deposition methods on operating current of non-linear interfacial resistive switching in the cross-point device, X-ray photoelectron spectroscopy was measured. Through the analysis of O 1s spectra, non-lattice oxygen concentration, which is closely related to oxygen vacancies, was increased in order of Pt, TiN, and Ti top electrodes and in order of O3 reactant ALD, H2O reactant ALD, and O3 reactant ALD, and dc reactive sputtering deposition method. From all results, non-lattice oxygen concentration in ultra-thin HfO2 films play a crucial role in the operating current and memory states (LRS & HRS) in the non-linear interfacial resistive switching.

• New & Renewable Energy
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• v.4 no.1
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• pp.31-36
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• 2008

Stainless steels have been widely considered as metallic bipolar plates, due to their passive surface film, which is good for corrosion resistance. However, the high resistivity of the passive film increases interfacial contact resistance between the bipolar plates and the electrodes. Stainless steels thermal spray coated with a mixture of tungsten carbide and stainless steel powders showed that the coated layer safely combined with the matrix but they suffered many internal defects including voids and cracks. Many cracks were formed in the coated layer and the interface of the matrix and the coated layer during the rolling process. The coated and rolled stainless steels showed lower interfacial contact resistance and corrosion resistance than bare stainless steel because of low resistivity of tungsten carbide and numerous defects, which caused crevice corrosion, in the coated layer.

• Proceedings of the Korean Society For Composite Materials Conference
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• 2005.11a
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• pp.75-78
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• 2005

Using a low-energy Ar+ ion-beam with and without reactive gases, polymers such as chemically stable poly(ether ether ketone) (PTFE) and poly(ether ether ketone) (PEEK) films were modified to have special surface features. The adhesion strength between the polymers and the copper was significantly improved because of both changes in the surface topography and chemical interactions due to polymer surface functionalization (oxidation and amination). The surface modification altered the failure mode from adhesive failure for the unmodified polymer/Cu interface to cohesive failure for the surface-modified polymer/Cu layer interface..

• Proceedings of the Korea Concrete Institute Conference
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• 2000.04a
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• pp.78-81
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• 2000

The test specimen proposed in this study, named the bimaterial eccentric compression specimen, is a rectangular prism of two dissimilar materials with a notch at their interface. Normalized energy release rates and phase angles were calibrated with the finite element method. The normalized energy release rate increases with notch ratio but decreases with E2/E2, loading point, and phase angle, Bimaterial specimens consisting of mortar and ploymer as well as mortar and rock were prepared and tested to simulate fracture behavior ar the interface. Test results have confirmed that initial notch has significant effect on the apparent interfacial toughness.

• Nuclear Engineering and Technology
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• v.35 no.1
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• pp.45-54
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• 2003

A hyperbolic two-phase, two-fluid equation system developed in the previous work has been implemented in an existing nuclear safety analysis code, MARS. Although the implicit treatment of interfacial pressure force term introduced in momentum equation of the hyperbolic equation system is required to enhance the numerical stability, it is very difficult to implement in the code because it is not possible to maintain the existing numerical solution structure. As an alternative, two-step approach with stabilizer momentum equations has been selected. The results of a linear stability analysis by Von-Neumann method show the equivalent stability improvement with fully-implicit solution method. To illustrate the applicability, the new solution scheme has been implemented into the best-estimate thermal-hydraulic analysis code, MARS. This paper also includes the comparisons of the simulation results for the perturbation propagation and water faucet problems using both two-step method and the original solution scheme.

• Proceedings of the Korean Society For Composite Materials Conference
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• 2001.10a
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• pp.121-124
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• 2001

Surface-modified silica holds considerable promise in the development of advanced materials for good mechanical properties and stability. In this work, the surface and mechanical interfacial properties of silicas treated with silane coupling agents, such as Y-methacryloxy propyl trimethoxy silane (MPS). Y-glycidoxy propyl trimethoxy silane (GPS), and Y-mercapto propyl trimethoxy silane (MCPS), are investigated. The effect of silane surface treatments of silica on the surface properties and surface energetics are studied in terms of surface functional values and contact angle measurements. And their mechanical interfacial properties of the silica/rubber composites are studied by the composite tearing energy ($G_{IIIC}$). As a result. the mechanical interfacial properties are improved in the case of silane-treated composites compared with untreated one. It reveals that the functional groups on silica surface by silane surface treatments play an important role in improving the degree of adhesion at interfaces in a silica-filled rubber system.