• 한국정밀공학회:학술대회논문집
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• 한국정밀공학회 1997년도 추계학술대회 논문집
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• pp.572-575
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• 1997

The embedded atom method based on density functional theory was developed as a new means for calculating ground state properties of realistic metal system by Murray S. Daw, Stephen M. Foiles and Michael I. Baskes. In the paper, we had corrected constitutive formulae and parameters on the nickel for the purpose of doing Embedded Atom Method analysis. And then we have computed the properties of the nickel on the fundamental scale of the atomic structure. In result, simulated ground state properties, such as the lattice constant, elastics constants and sublimation energy, show good agreement with Daw's simulation data and with experimental data.

• Bulletin of the Korean Chemical Society
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• 제12권2호
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• pp.170-177
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• 1991

A lattice mean field theory is developed to investigate the conformational properties of monolayer amphiphiles at the air-water interface. By generalizing Dill and Cantor's method and by extending Whittington's recurrence equation, we derive the supermatrix recurrence equation which is applied to calculation of various segment density profiles and order parameter, etc. In deriving the equation, we incorporated the chain stiffness effect and the chain connectivity which are distinguished features of linear chain molecule. Our result shows that, as the surface coverage $\sigma$ increases the chain ordering process with respect to vertical axis of the lattice system becomes dominant.

• Coupled systems mechanics
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• 제10권6호
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• pp.521-544
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• 2021

In this work, we present the development of a 3D lattice-type model at microscale based upon the Voronoi-cell representation of material microstructure. This model can capture the coupling between mechanic and electric fields with non-linear constitutive behavior for both. More precisely, for electric part we consider the ferroelectric constitutive behavior with the possibility of domain switching polarization, which can be handled in the same fashion as deformation theory of plasticity. For mechanics part, we introduce the constitutive model of plasticity with the Armstrong-Frederick kinematic hardening. This model is used to simulate a complete coupling of the chosen electric and mechanics behavior with a multiscale approach implemented within the same computational architecture.

• Structural Engineering and Mechanics
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• 제73권1호
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• pp.37-52
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• 2020

This paper investigates the free and forced longitudinal vibration of a double nanorod system using doublet mechanics theory. The doublet mechanics theory is a multiscale theory spanning between lattice dynamics and continuum mechanics. Equations of motion and boundary conditions for the double nanorod system are obtained using Hamilton's principle. Clamped-clamped and clamped-free boundary conditions are considered. Frequencies and dynamic displacements are determined to demonstrate the effects of length scale parameter of considered material and geometry of the nanorods. It is shown that frequencies obtained by the doublet mechanics theory are bounded from above (van Hove singularity) and unlike classical elasticity theory doublet mechanics theory predicts finite number of modes depending on the length of the nanotube. The present doublet mechanics results have been compared to molecular dynamics, experimental and nonlocal theory results and good agreement is observed between the present and other mentioned results. The difference between wave frequencies of graphite is less than 10% between doublet mechanics and experimental results near to the end of the first Brillouin zone.

• 조명전기설비학회논문지
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• 제26권2호
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• pp.51-60
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• 2012

An improved method for detecting fault distance in overhead transmission lines is described in this paper. Based on single-ended measurement, propagation theory of traveling waves together with the wavelet transform technique is used. In estimating fault location, a simple, but fundamental method using the time difference between the two consecutive peaks of transient signals is considered; however, a new method to enhance measurement sensitivity and its accuracy is sought. The algorithm is developed based on the lattice diagram for traveling waves. Representing both the ground mode and alpha mode of traveling waves, in a lattice diagram, several relationships to enhance recognition rate or estimation accuracy for fault location can be found. For various cases with fault types, fault locations, and fault inception angles, fault resistances are examined using the proposed algorithm on a typical transmission line configuration. As a result, it is shown that the proposed system can be used effectively to detect fault distance.

• Coupled systems mechanics
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• 제7권1호
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• pp.43-59
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• 2018

The presence of the pore fluid strongly influences the reponse of the soil subjected to external loading and in many cases increases the risk of final failure. In this paper, we propose the use of a discrete beam lattice model with the aim to investigate the coupling effects of the solid and fluid phase on the response and failure mechanisms in the saturated soil. The discrete cohesive link lattice model used in this paper, is based on inelastic Timoshenko beam finite elements with enhanced kinematics in axial and transverse direction. The coupling equations for the soil-pore fluid interaction are derived from Terzaghi's principle of effective stresses, Biot's porous media theory and Darcy's law for fluid flow through porous media. The application of the model in soil mechanics is illustrated through several numerical simulations.

• 산업기술연구
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• 제11권
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• pp.3-16
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• 1991

The lattice-fluid theory are adopted for modeling the phese equilibria in supercritical fluids, In order to investigate effects of the nonrandom distribution of holes in mixtures on the phase equilibria, the equation of state and the chemical potential of the binary miture are formulated with taking into account nonrandomness of holes distributions in the fluid mixture. The relations of phase equilibria formulated in this work are tested through predictions of solubility of heavy solids in supercritical fluids and predictions of high pressure phase equilibria of binary mixtures. Results obtained exhibit that the lattice fluid model with assumptions of nonrandomness of hole distributions is successful in quantatively mideling the phase equilibria of mixtures of molecules of dissimilar sizes, specifically solids-supercritical fluid mixtures.

• Journal of Information Processing Systems
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• 제16권1호
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• pp.184-200
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• 2020

Similarity searching is a basic issue in information processing because of the large size of formal contexts and their complicated derivation operators. Recently, some researchers have focused on knowledge reduction methods by using granular computing. In this process, suitable information granules are vital to characterizing the quantities of attributes and objects. To address this problem, a novel approach to obtain an entropy-weighted concept lattice with inclusion degree and similarity distance (ECLisd) has been proposed. The approach aims to compute the combined weights by merging the inclusion degree and entropy degree between two concepts. In addition, another method is utilized to measure the hierarchical distance by considering the different degrees of importance of each attribute. Finally, the rationality of the ECLisd is validated via a comparative analysis.

• 한국환경과학회지
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• 제8권3호
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• pp.411-417
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• 1999

The interfacial chemical behavior, lattice exchange and dissolution, of $FeS_{(S)}$ as one of the important sulfide minerals was studied. Emphases were made on the surface characterization of hydrous $FeS_{(S)}$, the lattice exchange of Cu(II) and $FeS_{(S)}$, and its effect on the dissolution of $FeS_{(S)}$, and also affect some organic ligands on that of both Cu(II) and $FeS_{(S)}$. Cu(II) which has lower sulfide solubility in water than $FeS_{(S)}$ undergoes the lattice exchange reaction when Cu(II) ion contacts $FeS_{(S)}$ in the aqueous phase. For heavy metals which have higher sulfide solubilities in water than $FeS_{(S)}$, these metal ions were adsorbed on the surface of $FeS_{(S)}$. Such a reaction was interpreted by the solid solution formation theory. Phthalic acid(a weak chelate agent) and EDTA(a strong chelate agent) were used to demonstrate the effect of organic lignads on the lattice exchange reaction between Cu(II) and $FeS_{(S)}$. The $pH_{zpc}$ of $FeS_{(S)}$ is 7 and the effect of ionic strength is not showed. It can be expected that phthalic acid has little effect on the lattice exchange reaction between Cu(II) and $FeS_{(S)}$. whereas EDTA has very decreased the removal of Cu(II) and $FeS_{(S)}$. This study shows that stability of sulfide sediments was predicted by its solubility. The pH control of the alkaline-neutralization process to treat heavy metal in wastewater treatment process did not needed. Thereby, it was regarded as an optimal process which could apply to examine a long term stability of marshland closely in the treatment of heavy metal in wastewater released from a disussed mine.

• 한국수소및신에너지학회논문집
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• 제15권4호
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• pp.257-265
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• 2004

Numerical analysis, as EAM(Embedded Atom Method), in the atomic level is necessary to analyze the relation between the hydrogen and hydrogen absorption metals. EAM established on density functional theory was developed as a new means for calculating various properties and phenomena of realistic metal systems. In this study, we had constructed the EAM program from constitutive formulae and parameters of the hydrogen, nickel and palladium for the purpose of predicting the expansion behavior on hydrogen absorbing. In result, not only the ground state properties of metals but also lattice constants and the volume expansion ratio of metal hydrides show good agreement with Daw's data and experiment data.