• 전기화학회지
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• 제11권4호
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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.

• 한국재료학회지
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• 제15권9호
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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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• 제31권5호
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• pp.282-287
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• 2018

본 연구는 광물화된 탄소나노튜브를 고분자 기지재료의 강화재로 사용할 때, 계면 결합력이 기존 탄소나노튜브 강화재에 비해 어떤 차이를 보이는지 분자동역학 시뮬레이션을 통해 탐구한다. 최근 탄소나노튜브에 질소를 도핑한 후 표면을 광물화 하는 실험 연구가 보고되고 있다. 하지만 복합재료의 강화제로 첨가되었을 때 보일 수 있는 물성 증가 현상에 대한 연구는 아직 부족하다. 광물질로는 실리카($SiO_2$)를 사용했고 고분자 기지재료로는 열 가소성 수지인 poly(methyl metacrylate) (PMMA)를 사용했다. 계면 결합력과 계면 전단 응력을 계산하기 위해 강화재를 기지재료로부터 빼내는 pull-out 시뮬레이션이 진행되었다. 계산 결과, 실리카 광물화된 탄소나노튜브가 고분자 기지재료와 향상된 계면 상호작용을 가지는 것으로 조사되었다. 본 연구진은 향후 광물화된 탄소나노튜브 강화재가 첨가된 나노 복합재료의 열 기계적 물성을 분석하여 다양한 분야에서의 활용 가능성을 제시할 계획이다.

• 한국도로학회논문집
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• 제17권3호
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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.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2013년도 제44회 동계 정기학술대회 초록집
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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.

• 신재생에너지
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• 제4권1호
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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.

• 한국복합재료학회:학술대회논문집
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• 한국복합재료학회 2005년도 추계학술발표대회 논문집
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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..

• 한국콘크리트학회:학술대회논문집
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• 한국콘크리트학회 2000년도 봄 학술발표회 논문집
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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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• 제35권1호
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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.

• 한국복합재료학회:학술대회논문집
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• 한국복합재료학회 2001년도 추계학술발표대회 논문집
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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.