• 한국지반공학회지:지반
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• 제13권1호
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• pp.5-18
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• 1997

일반적으로 포화지반의 동적거동을 정확히 예편하기 위해서는 다공성(multi-phase) 재료모델과 그 모델을 이용하는 수치해석 프로그램의 개발이 필요하다. 본 논문에서는 높은 동하중을 받는 다공질 재료의 이론적인 거동해석 연구결과와 함께 기존 MPDAP(multi-phase dynamic analysis program)에 JWL(Jones-Withins-Lee) 모델을 삽입시켜 개발한 MPDAP에 대해 다루었다. JWL모델은 기존 모델과는 달리 폭약의 종류 및 특성 등을 고려할 수 있는 모델이다. 또한 본 논문에서는 개발된 프로그램의 적합성을 조사하기 위하여 몇몇 예제에 대한 검증해석을 수행하였다. 검증결과, 단일매체 (single-phase medium)에서의 탄성구형파의 전파특성 해석의 경우 해석결과와 이론해는 거의 일치하는 결과를 나타내었고, 일차원 선형 압밀해석의 경우과잉 간극수압은 Terzaghi의 이론해와 해석된 결과가 비교적 일치하는 경향성을 보여 주었다. 또한 포화지반에서의 평면 압축파 해석의 경우도 해석결과와 이미 검증된 프로그램 또는 완전해의 해석결과는 거의 유사하게 나타나는 것을 알 수 있었다.

• Bulletin of the Korean Chemical Society
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• 제17권8호
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• pp.735-744
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• 1996

We present results of molecular dynamic (MD) simulations for the thermodynamic and structural properties of liquid n-alkanes, from n-butane to n-heptadecane, using three different models Ⅰ-Ⅲ. Two of the three classes of models are collapsed atomic models while the third class is an atomistically detailed model. Model Ⅰ is the original Ryckaert and Bellemans' collapsed atomic model [Discuss. Faraday Soc. 1978, 66, 95] and model Ⅱ is the expanded collapsed model which includes C-C bond stretching and C-C-C bond angle bending potentials in addition to Lennard-Jones and torsional potentials of model Ⅰ. In model Ⅲ all the carbon and hydrogen atoms in the monomeric units are represented explicitly for the alkane molecules. Excellent agreement of the results of our MD simulations of model Ⅰ for n-butane with those of Edberg et al.[J. Chem. Phys. 1986, 84, 6933], who used a different algorithm confirms the validity of our algorithms for MD simulations of model Ⅱ for 14 liquid n-alkanes and of models Ⅰ and Ⅲ for liquid n-butane, n-decane, and n-heptadecane. The thermodynamic and structural properties of models Ⅰ and Ⅱ are very similar to each other and the thermodynamic properties of model Ⅲ for the three n-alkanes are not much different from those of models Ⅰ and Ⅱ. However, the structural properties of model Ⅲ are very different from those of models Ⅰ and Ⅱ as observed by comparing the radial distribution functions, the average end-to-end distances and the root-mean-squared radii of gyrations.

• 한국전기전자재료학회논문지
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• 제18권5호
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• pp.414-422
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• 2005

This paper shows the results of atomistic modeling for the Interaction between spherical nano abrasive and substrate In chemical mechanical polishing processes. Atomistic modeling was achieved from 2-dimensional molecular dynamics simulations using the Lennard-jones 12-6 potentials. We proposed and investigated three mechanical models: (1) Constant Force Model; (2) Constant Depth Model, (3) Variable Force Model, and three chemical models, such as (1) Chemically Reactive Surface Model, (2) Chemically Passivating Surface Model, and (3) Chemically Passivating-reactive Surface Model. From the results obtained from classical molecular dynamics simulations for these models, we concluded that atomistic chemical mechanical polishing model based on both Variable Force Model and Chemically Passivating-reactive Surface Model were the most suitable for realistic simulation of chemical mechanical polishing in the atomic scale. The proposed model can be extended to investigate the 3-dimensional chemical mechanical polishing processes in the atomic scale.

• 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.

• Macromolecular Research
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• 제15권7호
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• pp.682-687
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• 2007

The equation of state developed herein is predicated on a hard-sphere reference with perturbations introduced via a potential function to account for electrostatic forces and for attraction between protein particles. During this process, the generalized Lennard-Jones (GLJ) pair potential function is employed. The GLJ pair potential function is employed to represent the protein-protein interaction in two-protein systems. Via the use of the relation between the equation of state and the chemical potential, the phase behavior in the aqueous two-protein system can be estimated. The partition coefficients can be obtained via these processes. The calculated values of the coefficients agree fairly well with the experimental data in the given pH and ionic strength range, with no additional adjustable model parameters.

• Bulletin of the Korean Chemical Society
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• 제3권1호
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• pp.18-23
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• 1982

The molar volumes, the molar heat capacities and the molar entropies of solid argon are calculated from 0 K to the triple point using the vacancies-in-solid model. In the partition function, the central pairwise additive (Mie-Lennard-Jones 12,6) potential is used by introducing numbers, which is obtained by summing powers over all lattice points of a face-centred cubic in terms of the distance between nearest neighbours. A method of iteration is employed to evaluate the potential parameter. The results are compared with experimental values and other theoretical values. The results show a fair agreement with the experimental results.

• Tribology and Lubricants
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• 제16권1호
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• pp.39-45
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• 2000

In this paper, the effects of shaft and bearing flexibilities are investigated for the accurate modeling of a shaft-bearing system supported by ball bearings. Generally, rolling bearings are modeled by simple rigid pin-joint in the mechanical design. However, they can no longer be modeled by ideal boundary conditions in the advanced applications because the rigid pin-joint model cannot satisfy the current trends of mechanical design decreasing mass and reducing volume. Consequently the flexible support model of ball bearing is investigated using the static analysis module developed by A .B. Jones and T. A. Harris. A simple two-bearing system, supported by two deep groove ball bearings and radially loaded on the shaft midway between the bearings, is utilized to validate the coupled model of shaft-bearing system. Numerical computations using the model indicate that the shaft span length, locating/floating bearing arrangements and applied bearing size are significant factors in determining the mechanical behaviors. The flexible support model of ball bearing can be escaped to over-estimate in the bearing fatigue life. The proposed simple design formulation obtained by numerical simulations can approximately predict a rate of bearing life reduction as a function of shaft span length/shaft diameter (L/d).

• 대한기계학회:학술대회논문집
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• 대한기계학회 2004년도 춘계학술대회
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• pp.1382-1387
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• 2004

From the viewpoint of a macro state, there is no thermal boundary resistance (TBR) at an interface if both surfaces at an interface are perfectly contacted. However, recent molecular dynamics (MD) studies reported that there still exists the TDR at the interface in an ideal epitaxial superlttice. Our previous studies suggested the model to predict the TBR not only quantitatively also qualitatively in superlattices. The suggested model was based on the classical theory of a wave reflection, and provided highly satisfactory results for an engineering purpose. However, it was not the complete model because our previous model was derived by considering only the effects from a mass ratio and a potential ratio of two species. The interaction of two species presented by the Lennard-Jones (L-J) potential is governed by the mutual ratio of the masses, the potential well depths, and the diameters. In this study, we performed the preliminary simulations to investigate the effect resulting from the diameter ratio of two species for the completion of our model and confirmed that it was also a ruling factor to the TBR at an interface in superlattices.

• 응용통계연구
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• 제31권6호
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• pp.801-810
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• 2018

확산은 금융이나 물리적 현상의 모형화에 이용되는 확률과정이다. 반복적으로 관측된 확산과정에 대하여 통계적인 모형을 구축할 때, 확률효과를 고려할 필요가 있다. 이 연구에서는 Ornstein-Uhlenbeck 확산모형과 geometric Brownian motion 확산모형에 대하여 확률효과를 도입한다. 모형모수에 대한 최도우도추정법을 적용하기 위하여, 확률효과에 대한 적절한 분포를 가정하여 닫힌 형태로 우도함수를 얻는 방법을 탐색하였다. 1991년부터 2017년까지 27년간 일일 단위로 기록된 다우존스 산업지수에 대하여 확률효과 모형을 적용하였다.

• Geomechanics and Engineering
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• 제23권3호
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• pp.245-259
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• 2020

Tunnels have become an indispensable part of metro cities. Blast resistance design of tunnel has attracted the attention of researchers due to numerous implosion event. Present paper deals with the non-linear finite element analysis of rock tunnel having shear zone subjected to internal blast loading. Abaqus Explicit schemes in finite element has been used for the simulation of internal blast event. Structural discontinuity i.e., shear zone has been assumed passing the tunnel cross-section in the vertical direction and consist of Highly Weathered Granite medium surrounding the tunnel. Mohr-Coulomb constitutive material model has been considered for modelling the Highly Weathered Granite and the shear zone material. Concrete Damage Plasticity (CDP), Johnson-Cook (J-C), Jones-Wilkins-Lee (JWL) equation of state models are used for concrete, steel reinforcement and Trinitrotoluene (TNT) simulation respectively. The Coupled-Eulerian-Lagrangian (CEL) method of modelling for TNT explosive and air inside the tunnel has been adopted in this study. The CEL method incorporates the large deformations for which the traditional finite element analysis cannot be used. Shear zone orientations of 0°, 15°, 30°, 45°, 60°, 75° and 90°, with respect to the tunnel axis are considered to see their effect. It has been concluded that 60° orientation of shear zone presents the most critical situation.