• Journal of Electrochemical Science and Technology
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• 제11권2호
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• pp.140-147
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• 2020

This paper presents a hypothesis and its experimental validation that ∆E (E_sec,corr - E_corr) of cyclic polarization curve of an Al-Zn-Mg-Cu alloy decreases firstly and then increases with the increasing of corrosion rate or corroded fraction F_corr of alloy surface. The minimum value of ∆E is obtained when F_corr ≈ 50%. In addition, a proportional relationship between ∆E and |50% - F_corr| was found. This non-monotonic relation between ∆E and extent of localized corrosion indicates that additional attention should be paid on using ∆E to assess localized corrosion behaviour of Al-Zn-Mg-Cu alloys.

• 반도체디스플레이기술학회지
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• 제3권3호
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• pp.27-29
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• 2004

The responses of hypothetical silicon nanotubes under torsion have been investigated using an atomistic simulation based on the Tersoff potential. A torque, proportional to the deformation within Hooke's law, resulted in the ribbon-like flattened shapes and eventually led to a breaking of hypothetical silicon nanotubes. Each shape change of hypothetical silicon nanotubes corresponded to an abrupt energy change and a singularity in the strain energy curve as a function of the external tangential force, torque, or twisted angle. The dynamics of silicon nanotubes under torsion can be modelled in the continuum elasticity theory.

• 한국반도체및디스플레이장비학회:학술대회논문집
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• 한국반도체및디스플레이장비학회 2004년도 춘계학술대회 발표 논문집
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• pp.63-66
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• 2004

The responses of hypothetical silicon nanotubes under torsion have been investigated using an atomistic simulation based on the Tersoff potential. A torque, proportional to the deformation within Hooke's law, resulted in the ribbon-like flattened shapes and eventually led to a breaking of hypothetical silicon nanotubes. Each shape change of hypothetical silicon nanotubes corresponded to an abrupt energy change and a singularity in the strain energy curve as a function of the external tangential force, torque, or twisted angle. The dynamics of silicon nanotubes under torsion can be modelled in the continuum elasticity theory.

• EDISON SW 활용 경진대회 논문집
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• 제3회(2014년)
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• pp.115-125
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• 2014

We investigate dissociation of diatomic molecules and anions using density functional theory (DFT) and density-corrected density functional theory (DC-DFT). We scan the potential energy curve of CH, NH and NO neutral molecule and its anion with both DFT and DC-DFT (in form of Hartree-Fock DFT, HF-DFT) using various functionals. Using CCSD(T) results as reference, we perform the error decomposition scheme recently proposed by Kim et al. The results show while most neutrals are $functio{\acute{n}}al$ error $domi{\bar{n}}ating$ normal calculations, $CH^-$ and $NO^-$ anions are density-driven error dominating abnormal calculations. In case of $NH^-$, traditional DFT goes to a wrong dissociation limit indicating abnormality, but both HF-DFT and CCSD(T) results need further investigation due to the kinks on the curve.

• 대한전기학회:학술대회논문집
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• 대한전기학회 1999년도 하계학술대회 논문집 D
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• pp.1768-1770
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• 1999

Porous silicon were prepared under various anodization condition on n-Si substrates. Chronoamperometric curves of porous silicon depended on potentials, composition and temperature of electrolytes. and intensity of UV irradiation. Anodic current density decreased continuously at low potential $(\leq0.5V)$ but increased at high potentials (>2V vs. Ag QRE). the difference in chronoamperometric curve is due to different activation energy in the processes involved in porous silicon formation.

• 한국방재학회 논문집
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• 제7권3호
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• pp.59-67
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• 2007

지금까지 이용된 아스팔트 혼합물 배합설계는 주로 마샬다짐방법을 이용하여 시편을 제작하였고, 정해진 공극률에 맞추어 제작된 시편의 간단한 역학적 특성치를 이용하였다. 선회다짐기를 이용한 다짐방법은 아스팔트 포장의 시공과정 및 시공 후 발생하는 아스팔트 표층의 다짐정도를 실내에서 구현할 수 있는 다짐방법이다. 선회다짐기를 이용하는 슈퍼페이브 배합설계는 주로 아스팔트 포장의 공용성 측면에 맞추어 이용되고 있다. 그러나, 선회다짐기는 아스팔트 혼합물의 다짐특성을 평가할 수 있는 좋은 다짐방법임에도 불구하고, 주로 시편제작용으로만 이용되고 있는 실정이다. 본 연구에서는 슈퍼페이브 선회다짐기의 중요 특징중의 하나인 아스팔트 혼합물의 다짐 특성을 평가할 수 있는 지표를 개발하고, 이를 국내 아스팔트 혼합물 다짐곡선에 적용해 보는 것이다. 선회다짐기의 다짐곡선으로부터 얻을 수 있는 다짐특성지표는 크게 다짐에너지지수와 교통다짐에너지지수가 대표적인 값이다. 이러한 다짐에너지 곡선을 이용하여 아스팔트 혼합물의 소성변형 가능성을 평가하였고, 이를 적용할 수 있는 기준안을 제시하였다.

• Journal of Photoscience
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• 제7권2호
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• pp.67-71
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• 2000

A quantum-chemical investigation on the conformations and electronic properties of trans(diphenyl-diheterocyclic) ethenes(t-PHEs) as building block for fully $\pi$-conjuated polymer are performed in order to display the effects of heterocyclic ring substitution. Structures for the molecules, t-PHEs were fully optimized by using semiempirical AM1, PM3 methods, and ab initio HF methods, with 6-31G basic set. The potential energy curves with respect to the change of single are obtained by using ab initio HF/6-31G basic set. The curves are not similar shapes in the molecules with respect to heterocyclic rings. It is shown that the steric repulsion interactions between phenyl ring and heterocyclic ring are subjected to different type with the respect to each heterocyclic ring. Electronic properties of the molecules were molecules were obtained by applying the optimized structures and selected geometries to the extended Huckel method. To investigate the change of HOMO-LUMO gap with respedt to the torsion angle, we select the optimized structures. By using the results, the dependency of conjugation for the energy gaps is analyzed. For t-PHE the energy gap increase up to 0.52 eV compared with its planar structure. In the cases of t-PHE and t-PHE, the energy gap increase by 1.29 and 1.15 eV, respectively, compared with its planar structure.

• Journal of Advanced Research in Ocean Engineering
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• 제1권1호
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• pp.36-43
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• 2015

Since the crack generation and its propagation caused by welding defects is one of the main hull damage patterns, the simulation of crack propagation process has an important significance for ship safety. Based on interface element method, a finite element model to simulate crack propagation is studied in the paper. A Lennard-Jones type potential function is employed to define potential energy of the interface element. Tensile tests of steel flat plates with initial central crack are carried out. Surface energy density and spring critical stress that are suitable for the simulation of crack propagation are determined by comparing numerical calculation and tests results. Based on a large number of simulation results, the curve of simulation correction parameter plotted against the crack length is calculated.

• 한국지반공학회:학술대회논문집
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• 한국지반공학회 2008년도 춘계 학술발표회 초청강연 및 논문집
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• pp.575-586
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• 2008

The main objective of this paper is to develop an improved model for the analysis of liquefaction potential and to predict excess pore pressure (EPP) using the proposed model that can simulate behavior of saturated sand under earthquake loading conditions. The damage concept is adopted for the development of the proposed model. For the development of the model, a general formulation based on experimental results and damage potential using cumulative absolute velocity (CAV) is proposed for a more realistic description of dynamic responses of saturated sand. Undrained dynamic triaxial tests are conducted using earthquake loading conditions. Based on test results, the NCER-NCW function in terms of $w_d$ and CAV is developed. Procedure for the evaluation of EPP and determination of model parameters for the proposed model is presented as well. For the determination of initial liquefaction, the minimum curvature method using the NCS-NCW curve is proposed. It is observed that predicted initial liquefaction using the proposed method agrees well with measured initial liquefaction. From results of additional undrained dynamic triaxial tests, it is seen that predicted EPP generation using the proposed model agrees well with measured results for earthquake loading cases.

• Bulletin of the Korean Chemical Society
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• 제33권3호
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• pp.980-986
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• 2012

In this paper we develop a minimalist model of single molecule spectroscopy in a dynamic environment. Our model is based upon a lattice system consisting of a probe molecule embedded in an Ising-model like environment. We assume that the probe molecule interacts with the Ising spins via a dipole-dipole potential, and calculate free energy curves and lineshapes of the system. To investigate fluctuation behavior of the system we exploit the metadynamics sampling method. In particular, using the method, we calculate the free energy curve of magnetization of the lattice and that of the transition energy of the probe molecule. Furthermore, we compare efficiencies of three different sampling methods used; unbiased, umbrella, and metadynamics sampling methods. Finally, we explore the lineshape behavior of the probe molecule as the system undergoes a phase transition from a sub-critical and to a super-critical temperature. We show that the transition energy of a probe molecule is broadly distributed due to the heterogeneous, local environments.