• Transactions of the Korean Society of Mechanical Engineers A
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• v.24 no.2 s.173
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• pp.329-337
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• 2000

An investigation has been performed to develop an analysis tool based on a nonlinear beam theory, which can be used to predict the long-term behavior of an artificial hip joint. The nonlinear behav ior of the femur arise from the coupled dependence of the bone density and the mechanical properties on each other. The beam theory together with its numerical algorithm is developed to take into account the nonlinear bone remodeling process of the femur that is long enough to be assumed as a beam. A piecewise linear curve for the bone remodeling rate is used in the bone remodeling theory and the surface area density of bone is modeled as the third order polynomial function of bone density. At each section of the beam, a constant curvature is assumed and the longitudinal strains are also assumed to vary linearly across the section. The Newton-Rhapson iteration method is used to solve the nonlinear equations for each cross section of the bone and a backward method is used to march along the time. The density and the remodeling signal ar, calculated along with time for the various time steps, and the developed beam theory has been verified by comparing with the results of finite element analysis of a remodeling bone with an artificial hip joint of titanium prosthesis subjected to uni-axial loads and pure bending moment. It is concluded that the developed beam theory can be used to predict the long-term behavior of the femur and thus to design the artificial hip prosthesis.

• KSCE Journal of Civil and Environmental Engineering Research
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• v.6 no.2
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• pp.67-75
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• 1986

This paper introduces the nonlinear Stream Function Wave Theory for design waves efficiently to compute the wave energy and energy transport quantities and to analyze the effects of nonlinearities on them. The Stream Function Wave Theory was developed by Dean for case of the observed waves with assymmetric wave profiles and of the design waves with symmetric theoretical wave profiles. Dalrymple later improved the computational procedure by adding two Lagrangian constraints so that more efficient convergence of the iterative numerical method to a specified wave height and to a zero mean free surface displacement resulted. And the Stream Function coefficients are computed numerically by the improved Marquardt algorithm developed for this study. As the result of this study the effects of nonlinearities on the wave quantities of the average potential energy density, the average kinetic energy density result in overestimation by linear wave theory compared to the Stream Function Wave Theory and increase monotonically with decreasing $L^*/L_O$ and with increasing $H/H_B$. The effects of nonlinearities on the group velocity and the wavelength quantities result in underestimation by linear wave theory and increase monotonically with increasing $H/H_B$. Finally the effect of nonlinearity on the average total energy flux results in overestimation for shallow water waves and underestimation for deep water waves by linear wave theory.

• Journal of the Korean Data and Information Science Society
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• v.16 no.3
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• pp.705-712
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• 2005

Entropy is the basic concept of information theory. It is well defined for random varibles with known probability density function(pdf). For given data with unknown pdf, entropy should be estimated. Usually, estimation of entropy is based on the approximations. In this paper, we consider a kernel based approximation and compare it to the cumulant approximation method for several distributions. Monte carlo simulation for various sample size is conducted.

• Journal of Korean Society on Water Environment
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• v.27 no.1
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• pp.9-18
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• 2011

In this study the optimal volume for non-point source control retention is estimated considering spatio-temporal variation of land surface. The 3-parameter mixed exponential probability density function is used to represent the statistical properties of rainfall events, and NRCS-CN method is applied as rainfall-runoff transformation. The catchment drainage area is divided into individual $30m{\times}30m$ cells, and runoff curve number is estimated at each cell. Using the derived probability density function theory, the stormwater probability density function at each cell is derived from the rainfall probability density function and NRCS-CN rainfall-runoff transformation. Considering the antecedent soil moisture condition at each cell and the spatial variation of CN value at the whole catchment drainage area, the ensemble stormwater capture curve is established to estimate the optimal volume for an non-point source control retention. The comparison between spatio-temporally varied land surface and constant land surface is presented as a case study for a urban drainage area.

• Geomechanics and Engineering
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• v.16 no.1
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• pp.71-83
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• 2018

Compacted bentonites were chosen as the backfill material and buffer in high level nuclear waste disposal due to its high swelling pressure, high ion adsorption capacity and low permeability. It is essential to estimate the swelling pressure in design and considering the safety of the nuclear repositories. The swelling pressure model of expansive clay colloids was developed based on Gouy-Chapman diffuse double layer theory. However, the diffuse double layer model is effective in predicting low compaction dry density (low swelling pressure) for certain bentonites, and invalidation in simulating high compaction dry density (high swelling pressure). In this paper, the new relationship between nondimensional midplane potential function, u, and nondimensional distance function, Kd, were established based on the Gouy-Chapman theory by considering the variation of void ratio. The new developed model was constructed based on the published literature data of compacted Na-bentonite (MX80) and Ca-bentonite (FoCa) for sodium and calcium bentonite respectively. The proposed models were applied to re-compute swelling pressure of other compacted Na-bentonites (Kunigel-V1, Voclay, Neokunibond and GMZ) and Ca-bentonites (FEBEX, Bavaria bentonite, Bentonite S-2, Montigel bentonite) based on the reported experimental data. Results show that the predicted swelling pressure has a good agreement with the experimental swelling pressure in all cases.

• Journal of the Korean Chemical Society
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• v.61 no.6
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• pp.311-319
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• 2017

By using Density Functional Theory (DFT), we have performed alkali metal and alkaline earth metal inside fullerene-like BeO cluster (FLBeOC) in terms of energetic, geometric, charge transfer, work function and electronic properties. It has been found that encapsulated processes of the alkali metal are exothermic and thermodynamically more favorable than alkaline earth metal encapsulation, so that interaction energy ($E_{int}$) of the alkali metal encapsulation FLBeOC is in the range of -0.02 to -1.15 eV at level of theory. It is found that, the electronic properties of the pristine fullerene-like BeO cluster are much more sensitive to the alkali metal encapsulation in comparison to alkaline earth metal encapsulation. The alkali and alkaline earth metal encapsulated fullerene-like BeO cluster systems exhibit good sensitivity, promising electronic properties which may be useful for a wide variety of next-generation nano-sensor device components. The encapsulation of alkali and alkali earth metal may increase the electron emission current from the FLBeOC surface by reducing of the work function.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.425.1-425.1
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• 2014

Thermal transport in nanomaterials is not only scientifically interesting but also technological important for various future electronic, bio, and energy device applications. Among the various computation approaches to investigate lattice thermal transport phenomena in nanoscale, the atomistic nonequilibrium Green's function approach based on first-principles density functional theory calculations appeared as a promising method given the continued miniaturization of devices and the difficulty of developing classical force constants for novel nanoscale interfaces. Among the nanometerials, carbon atomic chains, namely the cumulene (all-doulble bonds, ${\cdots}C=C=C=C{\cdots}$) and polyyne (alternation of single and triple bonds, ${\cdots}C{\equiv}C-C{\equiv}C{\cdots}$) can be considered as the extream cases of interconnction materials for nanodevices. After the discovery and realization of carbon atomic chains, their electronic transport properties have been widely studied. For the thermal transport properties, however, there have been few literatures for this simple linear chain system. In this work, we first report on the development of a non-equilibrium Green's function theory-based computational tool for atomistic thermal transport calculations of nanojunctions. Using the developed tool, we investigated phonon dispersion and transmission properties of polyethylene (${\cdots}CH2-CH2-CH2-CH2{\cdots}$) and polyene (${\cdots}CH-CH-CH-CH{\cdots}$) structures as well as the cumulene and polyyne. The resulting phonon dispersion from polyethylene and polyene showed agreement with previous results. Compared to the cumulene, the gap was found near the ${\Gamma}$ point of the phonon dispersion of polyyne as the prediction of Peierls distortion, and this feature was reflected in the phonon transmission of polyyne. We also investigated the range of interatomic force interactions with increase in the size of the simulation system to check the convergence criteria. Compared to polyethylene and polyene, polyyne and cumulene showed spatially long-ranged force interactions. This is reflected on the differences in phonon transport caused by the delicate differences in electronic structure.

• Journal of applied mathematics & informatics
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• v.28 no.1_2
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• pp.257-273
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• 2010

One can construct a theory of probability of fractional order in which the exponential function is replaced by the Mittag-Leffler function. In this framework, it seems of interest to generalize some useful classical mathematical tools, so that they are more suitable in fractional calculus. After a short background on fractional calculus based on modified Riemann Liouville derivative, one summarizes some definitions on probability density of fractional order (for the motive), and then one introduces successively fractional Euler's integrals (first and second kind) and fractional Hermite polynomials. Some properties of the Gaussian density of fractional order are exhibited. The fractional probability so introduced exhibits some relations with quantum probability.

• Journal of the Korean Ceramic Society
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• v.54 no.5
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• pp.443-447
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• 2017

The initial reaction of hexachlorodisilane ($Si_2Cl_6$, HCDS) on amorphous silica ($SiO_2$) surface for atomic layer deposition was investigated using density functional theory. Two representative reaction sites on the amorphous $SiO_2$ surface for HCDS reaction, a surface hydroxyl and a two-membered ring, were considered. The reaction energy barrier for HCDS on both sites was higher than its adsorption energy, indicating that it would desorb from the surface rather than react with the surface. At high temperature range, some HCDSs can have kinetic energy high enough to overcome the reaction energy barrier. The HCDS reaction on top of the reacted HCDS was investigated to confirm its self-limiting characteristics.

• Journal of the Semiconductor & Display Technology
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• v.20 no.4
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• pp.16-22
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• 2021

We search for an appropriate initial adsorption coordination of precursor on surface by using genetic algorithm (GA) and density functional theory. SiH₄ and Al(CH₃)₃ as precursor, and OH-terminated Si (001) as surface are used for this study. Selection, crossover, and mutation as hyperparameters of GA are applied to search for the adsorption coordination of the precursors on the surface as a function of generation. Bond distances between precursors and the surface are used to explain the adsorption behavior of the precursors.