• Nuclear Engineering and Technology
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• v.55 no.7
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• pp.2556-2566
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• 2023

A first-principle approach within the framework of density functional theory was employed to study the effect of vacancy defects and fission products (FPs) doping on the mechanical, electronic, and thermodynamic properties of uranium monocarbide (UC). Firstly, the calculated vacancy formation energies confirm that the C vacancy is more stable than the U vacancy. The solution energies indicate that FPs prefer to occupying in U site rather than in C site. Zr, Mo, Th, and Pu atoms tend to directly replace U atom and dissolve into the UC lattice. Besides, the results of the mechanical properties show that U vacancy reduces the compressive and deformation resistance of UC while C vacancy has little effect. The doping of all FPs except He has a repairing effect on the mechanical properties of U_1-xC. In addition, significant modifications are observed in the phonon dispersion curves and partial phonon density of states (PhDOS) of UC_1-x, Zr_xU_1-xC, Mo_xU_1-xC, and Rh_xU_1-xC, including narrow frequency gaps and overlapping phonon modes, which increase the phonon scattering and lead to deterioration of thermal expansion coefficient (α_V) and heat capacity (C_p) of UC predicted by the quasi harmonic approximation (QHA) method.

• Journal of Aerospace System Engineering
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• v.18 no.3
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• pp.8-16
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• 2024

Because hydrogen has very low density, a different storage method is required to store the same amount of energy as fossil fuel. One way to increase the density of hydrogen is through liquefaction. However, since the liquefied temperature of hydrogen is extremely low at -252 ℃, it is easily vaporized by external heat input. When liquid hydrogen is vaporized, a self-pressurizing phenomenon occurs in which the pressure inside the hydrogen tank increases, so when designing the tank, this rising pressure must be carefully predicted. Therefore, in this paper, the internal pressure of a cryogenic liquid fuel tank was predicted according to the liquid hydrogen filling ratio. A one-dimensional thermodynamic model was applied to predict the pressure rise inside the tank. The thermodynamic model considered heat transfer, vaporization of liquid hydrogen, and fuel discharging. Finally, it was confirmed that there was a significant difference in pressure behavior and maximum rise pressure depending on the filling ratio of liquid hydrogen in the fuel tank.

• Journal of Aerospace System Engineering
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• v.13 no.2
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• pp.34-42
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• 2019

The existence of different thermodynamic properties results in various undesirable effects, such as thermal deformation and residual stress, in heat-welding processes. The solid-state junction, by using explosive or electromagnetic forces, i.e., high-velocity impact welding without employing heat is advantageous in joining materials with different thermodynamic properties. In the solid-state junction, the joining is performed within a short time, a high velocity and large deformations are accompanied by interfacial surfaces. The numerical analysis models play an important role in the understanding of the mechanism of high-velocity impact welding. However, in the analysis of high velocity and large deformations, the conventional Lagrangian method has low reliability due to the occurrence of entanglements. In this study, high-velocity impact welding between Cu and CP-Ti with different thermodynamic properties was performed using a un-gridded numerical method, SPH (Smoothed Particle Hydrodynamics), and interfacial morphology occurred. As a result of the analysis, the interfacial morphology was confirmed and the compared degree of shape (straight, vortex), period, length, and so on appeared differently depending on the relationship between the parameters (impact angle and speed).

• Journal of the Korean Chemical Society
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• v.54 no.2
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• pp.192-197
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• 2010

The spinel compound was obtained by the thermal decomposition of Zn-Co and Zn-Ni gel prepared by sol-gel method using oxalic acid as a chelating agent. The formation of spinel compound has been comfirmed by thermogravimetric analysis (TGA), x-ray powder diffraction (XRD) and infrared spectroscopy (IR). The particle size of 13 nm~16 nm was calculated by Scherrer's equation. The sol-gel method provides a practicable and effective route for the synthesis of the spinel compound at low temperature ($350^{\circ}C$). The kinetic parameters such as activation energy (Ea) and pre-exponential factor (A) for each compound were found by means of the Kissinger method and Arrhenius equation. The decomposition of spinel compound has an activation energy about 155 kJ/mol. Finally, the thermodynamic parameters (${\Delta}G^{\varphi}$, ${\Delta}H^{\varphi}$, ${\Delta}S^{\varphi}$) for decomposition of spinel compound was determined.

• Aerospace Engineering and Technology
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• v.4 no.1
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• pp.18-24
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• 2005

Wet compression means the injection of water droplets into the compressor of gas turbines. This method decreases the compression work and increases the turbine output by decreasing the compressor exit temperature through the evaporation of water droplets inside the compressor. This paper provides thermodynamic and aerodynamic analysis on wet compression in a centrifugal compressor for a microturbine. The meanline performance analysis of centrifugal compressor is coupled with the thermodynamic equation of wet compression to get the meanline performance of wet compression. The most influencing parameter in the analysis is the evaporative rate of water droplets. It is found that the impeller exit flow temperature and compression work decreases as the evaporative rate increases. And the exit flow angle decreases as the evaporative rate increases.

• Journal of the Korean Institute of Gas
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• v.16 no.6
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• pp.136-142
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• 2012

Thermodynamic equations for the electric power and temperature in a turbo expander generator (TEG) using pressure energy in a natural gas line are derived. From the equations, it was shown that dominant factor is not the pressure difference but the pressure ratio. The high energy level in the inlet of TEG can be made from nearly no expense of electric energy input, which means TEG can be treated as one of newly available clean energy source. If a post heating method is chosen to heat up expanded natural gas, the usage of cold energy is possible without a refrigeration cycle. The combined TEG and refrigeration system enhances economic benefit much more.

• Bulletin of the Korean Chemical Society
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• v.27 no.7
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• pp.1048-1052
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• 2006

Ab initio calculations of the structure, atomic charges and natural bond orbital (NBO) have been performed at HF/6-311G** and B3LYP/6-311G** levels for the title compound of dibenzothiazyl-disulfide. The calculated results show that the two nitrogen atoms have the biggest negative charges and they are the potential sites to react with the metallic ions, which make the title compound become a di-dentate ligand. Vibrational frequencies of the title compound have been obtained and compared with the experimental value and the comparison indicates that B3LYP/6-311G** level is better than HF/6-311G** level to predict the vibrational frequencies for the system studied here. For the title compound, electronic absorption spectra calculated by time?ependent density functional theory (TD-DFT) are more accurate than Hartree-Focksingle-excitation CI (CI-Singles) method. NBO analyses show that the electronic transitions are mainly derived from the contribution of bands $\pi\rightarrow\pi^{*}$. Thermodynamic calculated results show that the formation of the title compound from 2-mercaptobenzothiazole is a spontaneous process at room temperature with the change of free Gibbs being negative value.

• Journal of the Korean Chemical Society
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• v.53 no.4
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• pp.427-431
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• 2009

The thermodynamical mechanism of the extraction of soybean isoflavones from soybean residuals using organic solvent method has been studied. On the basis of experiments, a simple model for determining the distribution coefficients in organic solvent extraction was employed to calculate the thermodynamical functions between $K,\;{\Delta}H^0,\;{\Delta}S^0\;and\;{\Delta}G^0$ in the soybean isoflavones extraction process. The results show that the soybean isoflavones extraction is an endothermic and an entropy-increasing process: the ${\Delta}G^0$ decreases when the temperature arises.

• ETRI Journal
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• v.32 no.5
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• pp.750-760
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• 2010

We propose a homology between thermodynamic systems and images for the treatment of time-varying imagery. A physical system colder than its surroundings absorbs heat from the surroundings. Furthermore, the absorbed heat increases the entropy of the system, which is closely related to its disorder as given by the definition of Clausius and Boltzmann. Because pixels of an image are viewed as a state of lattice-like molecules in a thermodynamic system, the task of reckoning the entropy variations of pixels is similar to estimating their degrees of disorder. We apply this homology to the uncalibrated stereo matching problem. The absence of calibrations alleviates user efforts to install stereo cameras and enables users to freely modify the composition of the cameras. The proposed method is also robust to differences in brightness, white balancing, and even focusing between stereo image pairs. These peculiarities enable users to estimate the depths of interesting objects in practical applications without much effort in order to set and maintain a stereo vision setup. Users can consequently utilize two webcams as a stereo camera.

• Korean Journal of Air-Conditioning and Refrigeration Engineering
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• v.8 no.2
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• pp.240-253
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• 1996

The refrigeration cycle of automobile air-conditioners is simulated in an effort to provide a computational tool for optimum thermodynamic design. In the simulation, thermodynamic and heat transfer analysis was performed for the four major components : evaporator, condenser, compressor, and expansion valve. Effectiveness-NTU method was used for modeling both evaporator and condenser. The evaporator was divied into many subgrids and simultaneous cooling and dehumidifying analysis was performed for each grid to predict the performance accurately. Blance equations were used to model the compressor instead of using the compressor map. The performance of each component was checked against the measured data with CFC-12. Then, all the components were combined to yield the total system performance. Predicted cycle points were compared against the measured data with HFC-134a and the deviation was found to be less than 5% for all data. Finally, the system model was used to predict the performance of CFC-12 and HFC-134a for comparison. The results were very reasonable as compared to the trend deduced from the measured data.