• Bulletin of the Korean Chemical Society
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• v.20 no.7
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• pp.815-818
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• 1999

The method of calculating the excess Helmholtz free energy from the averaged effective acceptance ratio for the Lennard-Jones fluid and the inverse twelve fluid has been slightly modified and applied to the two-center-Lennard-Jones liquid. The excess Helmholtz free energy is calculated directly from the average of the modified effective acceptance ratio through a single Metropolis Monte Carlo simulation. Therefore this method does not need any reference system. The results of the present method were satisfactory compared with those of the perturbation theories and the overlap ratio method.

• Bulletin of the Korean Chemical Society
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• v.21 no.7
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• pp.697-700
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• 2000

A method of calculating the excess Helmholtz free energy from the average of the bent effective acceptance ratio for two-center-Lennard-Jones liquids has been presented. The bent effective acceptance ratio has been newly composed from the acceptan ce ratio for the potential energy difference between a configuration in the Metropolis Monte Carlo procedure and random virtual configuration generated by the separate parallel Monte Carlo procedure and the Boltzmann factor for half the potential energy difference. The excess Helmholtz free energy was calculated directly from the average of the bent effective acceptance ratio through a single Metropolis Monte Carlo run. Because the separate parallel Monte Carlo procedure was used, this method can be applied to molecular dynamics simulations. For two-center-Lennard-Jones liquids, the average of the bent effective acceptance ratio gave better results than use of the modified effective acceptance ratio in the previous work.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.38 no.7
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• pp.625-638
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• 2014

In this study, the uncertainties in the critical flow functions (CFFs) calculated by the AGA8-dc equation of state were estimated. To this end, the formulas for enthalpy, entropy, and speed of sound, which are used in calculating the CFF, were expressed in the form of dimensionless Helmholtz free energy and its derivatives, and the uncertainty in Helmholtz free energy was inferred. To consider the variations in the compressibility-dependent variables induced by the variation (i.e., uncertainty) in compressibility, the form of the AGA8-dc equation was modified to have a deviation equal to the uncertainty under each flow condition. For each independent uncertainty component of the CFF, a model for uncertainty contribution was developed. All these changes were applied to GASSOLVER, which is KOGAS's thermodynamic database. As a result, the uncertainties in the CFF were estimated to be 0.025, 0.055, and 0.112 % at 10, 50, and 100 bar, respectively, and are seen to increase with the increase in pressure. Furthermore, these results could explain the deviations in the CFFs across the different labs in which the CFF international comparison test was conducted under the ISO management in 1999.

• Interaction and multiscale mechanics
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• v.1 no.2
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• pp.303-315
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• 2008

In this paper, thermodynamical properties of crystalline silicon under strain are calculated using classical molecular dynamics (MD) simulations based on the Tersoff interatomic potential. The Helmholtz free energy of the silicon crystal under strain is calculated by using the ensemble method developed by Frenkel and Ladd (1984). To account for quantum corrections under strain in the classical MD simulations, we propose an approach where the quantum corrections to the internal energy and the Helmholtz free energy are obtained by using the corresponding energy deviation between the classical and quantum harmonic oscillators. We calculate the variation of thermodynamic properties with temperature and strain and compare them with results obtained by using the quasi-harmonic model in the reciprocal space.

• Journal of the Korean Chemical Society
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• v.16 no.5
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• pp.265-270
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• 1972

The aqueous solutions of aliphatic and aromatic hydrocarbons have been studied on the basis of the significant structure theory of liquid water proposed by Jhon, et al. The thermodynamic properties such as Helmholtz free energy, internal energy entropy, and heat capacity have been calculated. The results show good agreements with the experiments in the literature.

• Journal of Astronomy and Space Sciences
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• v.32 no.1
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• pp.1-11
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• 2015

Earth's magnetopause separating the fast and often turbulent magnetosheath and the relatively stagnant magnetosphere provides various forms of free energy that generate low-frequency surface waves. The source mechanism of this energy includes current-driven kinetic physical processes such as magnetic reconnection on the dayside magnetopause and flux transfer events drifting along the magnetopause, and velocity shear-driven (Kelvin-Helmholtz instability) or density/pressure gradient-driven (Rayleigh-Taylor instability) magnetohydro-dynamics (MHD) instabilities. The solar wind external perturbations (impulsive transient pressure pulses or quasi-periodic dynamic pressure variations) act as seed fluctuations for the magnetopause waves and trigger ULF pulsations inside the magnetosphere via global modes or mode conversion at the magnetopause. The magnetopause waves thus play an important role in the solar wind-magnetosphere coupling, which is the key to space weather. This paper presents recent findings regarding the generation of surface waves (e.g., Kelvin-Helmholtz waves) at the Earth's magnetopause and analytic and observational studies accountable for the linking of the magnetopause waves and inner magnetospheric ULF pulsations, and the impacts of magnetopause waves on the dynamics of the magnetopause and on the inner magnetosphere.

• Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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• 2005.05a
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• pp.836-839
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• 2005

The in-plane vibration response of a clamped circular plate should be predicted in many applications. Up to now, papers on the in-plane vibration of rectangular plate are published. However, analytical derivation on the in-plane vibration of the clamped circular plate is not carried out. Therefore, the in-plane vibration of the clamped circular plate is the concern of this paper. In order to derive the equations of motion for the clamped circular plate in the cylindrical coordinate, the kinetic energy and potential energy for the in-plane behavior are obtained by us ing the stress-strain-displacement expressions. Application of Hamilton's principle leads to two sets of differential equations. These displacement equations were highly coupled. It is possible to obtain a simpler set of equations by introducing Helmholtz decomposition. Substituting them into the coupled differential equations, we obtain the uncoupled equations of motion. In order to solve them, we assume that the solutions are harmonic. Then, they lead to the wave equations. Using the separation of variable, we obtain the general solutions for the equations. Based on the solutions, the displacements for r and $\theta$ direction are assumed. Finally we obtain the frequency equation for the clamped circular plate by the application of boundary conditions. The derived equation is compared with the finite element analysis for validation by using the some numerical examples.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.37 no.12
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• pp.1167-1173
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• 2013

This study aimed to calculate the CFFs (critical flow functions) of a sonic nozzle bank with a 12-nozzle package within 1 s. Toward this end, the Helmholtz free energy of natural gas was formulated by using the AGA8-dc equation of state in a form without integral terms, and thereafter, thermodynamic properties such as the enthalpy, entropy, speed of sound, and heat capacity, which are used in CFF calculation, were derived in analytical form. As a result, the calculation time of CFFs was improved from 6.7 s in a previous study to 0.6 s per 12-nozzle package and kept almost constant regardless of the number of components in natural gas. Furthermore, it was confirmed that the calculated CFF values were in agreement with the results of a CFF international comparison test carried out under ISO management in 1998-1999.

• Journal of Theoretical and Applied Mechanics
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• v.1 no.1
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• pp.69-88
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• 1995

The paper attempts to estimate the incubation time of a cavity in the interface between a power law creep particle and an elastic matrix subjected to a uniaxial stress. Since the power law creep particle is time dependent, the stresses in the interface relax. Through previous stress analysis related to the present physical model, the relaxation time is defined by ${\alpha}$2 which satisfies the equation $\Gamma$0 ｜1+${\alpha}$2k｜m=1-${\alpha}$2 [19]. $\Gamma$0=2(1/√3)1+m($\sigma$$\infty$/2${\mu}$)m($\sigma$0/$\sigma$$\infty$tm) where $\sigma$$\infty$ is an applied stress, ${\mu}$ is a shear modulus of a matrix, $\sigma$$\infty$ is a material constant of a power law particle, $\sigma$=$\sigma$0 $\varepsilon$ and t elapsed time. the volume free energy associated with Helmholtz free energy includes strain energies associated with Helmholtz free energy includes strain energies caused by applied stress anddislocations piled up in interface (DPI). The energy due to DPI is found by modifying the results of Dundurs and Mura[20]. The volume free energies caused by both applied stress and DPI are a function of the cavity size(${\gamma}$) and elapsed time(t) and arise from stress relaxation in the interface. Critical radius ${\gamma}$ and incubation time t to maximize Helmholtz free energy is found in present analysis. Also, kinetics of cavity fourmation are investigated using the results obtained by Riede[16]. The incubation time is defied in the analysis as the time required to satisfy both the thermodynamic and kinetic conditions. Through the analysis it is found that [1] strain energy caused by the applied stress does not contribute significantly to the thermodynamic and kinetic conditions of a cavity formation, 2) in order to satisfy both thermodynamic and kinetic conditions, critical radius ${\gamma}$ decreases or holds constant with increase of time until the kinetic condition(eq.40) is satisfied. Therefore the cavity may not grow right after it is formed, as postulated by Harris[11], and Ishida and Mclean[12], 3) the effects of strain rate exponent (m), material constant $\sigma$0, volume fraction of the particle to matrix(f) and particle size on the incubation time are estimated using material constants of the copper as matrix.

• Journal of the Korean Society of Manufacturing Technology Engineers
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• v.7 no.6
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• pp.117-125
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• 1998

The paper attempts to estimate the incubation time of a cavity in the interface between a power law creep particle and an elastic matrix subjected to a uniaxial stress. Since the power law creep particle is time dependent, the stresses in the interface relax. The volume free energy associated with Helmholtz free energy includes strain energies caused by applied stress and dislocations piled up in interface(DPI). The energy due to DPI is found by modifying the result of Dundurs and Mura[4]. The volume free energies caused by both applied stress and DPI are a function of the cavity size(r) and elapsed time(t) and arise from stress relaxation in the interface. Critical radius $r^*$ and incubation time $t^*$ to maximise Helmholtz free energy is found in present analysis. Also, kinetics of cavity formation are investigated using the results obtained by Riede [7]. The incubation time is defined in the analysis as the time required to satisfy both the thermodynamic and kinetic conditions. Through the analysis it is found that 1) strain energy caused by the applied stress does not contribute significantly to the thermodynamic and kinetic conditions of a cavity formation, 2) in order to satisfy both thermodynamic and kinetic conditions, critical radius $r^*$ decreases or holds constant with increase of the time until the kinetic condition(eq. 2.3) is satisfied. there for the cavity may not grow right after it is formed, as postulated by Harris [15], and Ishida and Mclean [16], 3) the effects of strain rate exponent (m), material constant $\sigma$0, volume fraction of the particle to matrix(f)and particle size on the incubation time are estimated using material constants of the copper as matrix.