• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.435-435
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• 2011

The electronic structure and various physical properties of CeO2, Ce2O3, PrO2, and Pr2O3 have been studied from the framework of Ab-initio by the all-electron projector-augmented-wave (PAW) method, as implemented VASP (Vienna Ab-initio Simulation Package). The generalized gradient approximation (GGA) with effective U (Ueff) has been used to explain the strong on-site Coulomb repulsion among the localized Ce 4f electrons. The dependence of selected observables of these materials on the Ueff parameter has been scrutinized. The studied properties contain lattice constants, density of states, and reaction energies of CeO2, Ce2O3, PrO2, and Pr2O3. For CeO2 and PrO2, the GGA(PBE)+U results are in good agreement with experimental data whereas for the computational calculationally more demanding Ce2O3 and Pr2O3 both approaches give comparable accuracy. This results represent that by choosing an appropriate Ueff it is possible to reliably describe structural and electronic properties of CeO2, Ce2O3, PrO2, and Pr2O3, which enables modeling of oxygen reduction reaction processes involving ceria-based materials.

• International Journal of Aeronautical and Space Sciences
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• v.14 no.4
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• pp.310-323
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• 2013

In this paper, the aeroelastic static response of flexible wings with arbitrary cross-section geometry via a coupled CUF-XFLR5 approach is presented. Refined structural one-dimensional (1D) models, with a variable order of expansion for the displacement field, are developed on the basis of the Carrera Unified Formulation (CUF), taking into account cross-sectional deformability. A three-dimensional (3D) Panel Method is employed for the aerodynamic analysis, providing more accuracy with respect to the Vortex Lattice Method (VLM). A straight wing with an airfoil cross-section is modeled as a clamped beam, by means of the finite element method (FEM). Numerical results present the variation of wing aerodynamic parameters, and the equilibrium aeroelastic response is evaluated in terms of displacements and in-plane cross-section deformation. Aeroelastic coupled analyses are based on an iterative procedure, as well as a linear coupling approach for different free stream velocities. A convergent trend of displacements and aerodynamic coefficients is achieved as the structural model accuracy increases. Comparisons with 3D finite element solutions prove that an accurate description of the in-plane cross-section deformation is provided by the proposed 1D CUF model, through a significant reduction in computational cost.

• Environmental Engineering Research
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• v.10 no.3
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• pp.131-137
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• 2005

The catalytic activity of precious metals(Rh, Pd, Pt) and nickel catalysts supported on ${\gamma}-Al_2O_3\;and\;CeO_2$ in the partial combustion of methane(PCM) to syngas was investigated based on the product distribution in a fixed bed now reactor under atmospheric condition and also on analysis results by SEM, XPS, TPD, BET, and XRD. The activity of the catalysts based on the syngas yield increased in the sequence $Rh(5)/CeO_2{\geq}Ni(5)/CeO_2>>Rh(5)/Al_2O_3>Pd(5)/Al_2O_3>Ni(5)/Al_2O_3$. Compared to the precious catalysts, the syngas yield and stability of the $Ni(5)/CeO_2$ catalyst were almost similar to $(5)/CeO_2$ catalyst, and superior to these of any other catalysts. The syngas yield of $Ni(5)/CeO_2$ catalyst was 90.66% at 1023 K. It could be suggested to be the redox cycle of the successive reaction and formation of active site, $Ni^{2-}$ and the lattice oxygen, $O^{2-}$ produced due to reduction of $Ce^{4-}$ to $Ce^{3-}$.

• Korean Journal of Metals and Materials
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• v.56 no.11
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• pp.822-828
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• 2018

P-type Ce/Yb-filled skutterudites were synthesized, and their charge transport and thermoelectric properties were investigated with partial double filling and charge compensation. In the case of $(Ce_{1-z}Yb_z)_{0.8}Fe_4Sb_{12}$ without Co substitution, the marcasite ($FeSb_2$) phase formed alongside the skutterudite phase, but the generation of the marcasite phase was inhibited by increasing Co concentration. The electrical conductivity decreased with increasing temperature, exhibiting degenerate semiconductor behavior. The Hall and Seebeck coefficients were positive, which confirmed that the specimens were p-type semiconductors with holes as the major carriers. The carrier concentration decreased as the concentration of Ce and Co increased, which led to decreased electrical conductivity and increased Seebeck coefficient. The thermal conductivity decreased due to a reduction in electronic thermal conductivity via Co substitution, and due to decreased lattice thermal conductivity via double filling of Ce and Yb. $(Ce_{0.25}Yb_{0.75})_{0.8}Fe_{3.5}Co_{0.5}Sb_{12}$ exhibited the greatest dimensionless figure of merit (ZT = 0.66 at 823 K).

• Bulletin of the Korean Chemical Society
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• v.15 no.11
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• pp.980-984
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• 1994

Monomeric rhodium and iridium diimine complexes $Cp^*M(HNRNH)(Cp^*$ = 1,2,3,4,5-pentamethylcyclopentadienyl : (M=lr; R=o-$C_6H_4 (1a), 4,5-(CH_3)_2-C_6H_2-1,2 (1b), 4,5-(Cl)_2-C_6H_2-1,2$ (1c), NCC=CCN-1,2 (1d): M=Rh; R=NCC=CCN-1,2 (1e)) have been synthesized from $[CP^*MCl_2]_2$ and 2 equiv. of diamine in the presence of $NEt_3$. The Crystal structure of 1a was determined by X-ray diffraction method : 1a was crystallized in the monoclinic system, space group $P2_{1/c}$, with lattice constants a=9.543 (1) ${\AA}$, b=16.286 (1) ${\AA}$, c=10.068 (1) ${\AA}$ and ${\beta}$=99.25 (1), with Z= 4. Least-squares refinement of the structure led to R factor of 0.049. The coordination sphere of rhodium and iridium can be described as a 2-legged piano-stool. All complexes are highly colored. Electrochemical studies show that 1d and 1e display quasi-reversible reduction and 1a-1c display irreversible reductions, suggesting that the acceptor orbital might be localized on the diimine ring.

• Bulletin of the Korean Chemical Society
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• v.22 no.11
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• pp.1231-1235
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• 2001

Pseudotetragonal ZrO0.75S whose space group is P212121 was synthesized and the cell dimensions were a=5.110(2) $\AA$, b=5.110(7) $\AA$, and c=5.198(8) $\AA.$ The space group P212121 seems to be resulted from lowering the symmetry of cubic ZrOS structure with P213 space group by lattice distortion due to the oxygen defects. In the distorted structure, bond shortening between metal-nonmetal by reduction of cell volume and alternation of Zr-Zr distance were observed. Dielectric constant and loss data of the bulk material in temperature range -170 to 20 $^{\circ}C$ and frequency range 50 Hz to 1 MHz showed that there was dielectric transition at around -70 $^{\circ}C$ originated from the relaxation of Zr-S segment. Comparing with ZrO2 exhibited the dielectirc constants, 9.0 at room temperature, ZrO0.75S showed high dielectric constant, k = 200.2 at 100 kHz. The activation energy of relaxation time due to dielectric relaxation of Zr-S was 0.47 eV (11.3 kcal/mole). According to the impedance spectra, ZrO0.75S showed more parallel circuit character between the resistance and capacitance components at the temperature (-70 $^{\circ}C)$ that the Zr-S dielectric relaxation was observed.

• Journal of Ceramic Processing Research
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• v.20 no.6
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• pp.582-588
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• 2019

FeVSb1-xTex (0.02 ≤ x ≤ 0.10) half-Heusler alloys were fabricated by mechanical alloying process and subsequent vacuum hot pressing. Near single half-Heusler phases are formed in vacuum hot pressed samples but a second phase of FeSb2 couldn't be avoided. After doping, the lattice thermal conductivity in the system was shown to decrease with increasing Te concentration and with increasing temperature. The lowest thermal conductivity was achieved for FeVSb0.94Te0.06 sample at about 657 K. This considerable reduction of thermal conductivities is attributed to the increased phonon scattering enhanced by defect structure, which is formed by doping of Te at Sb site. The phonon scattering might also increase at grain boundaries due to the formation of fine grain structure. The Seebeck coefficient increased considerably as well, consequently optimizing the thermoelectric figure of merit to a peak value of ~0.24 for FeVSb0.94Te0.06. Thermoelectric properties of various Te concentrations were investigated in the temperature range of around 300~973 K.

• Journal of Ceramic Processing Research
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• v.20 no.1
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• pp.18-23
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• 2019

Chemical looping combustion (CLC) is a promising carbon capture and storage (CCS) technology whose efficiency and cost primarily relies on the oxygen carrier materials used. In this paper, gadolinium-doped ceria (GDC, Ce0.9Gd0.1O1.95) was added as a promoter to improve the oxygen transfer rate of MgMnO3-δ oxygen carrier materials. Increasing GDC content significantly increased the oxygen transfer rate of MgMnO3-δ-GDC composites for the reduction reaction due to an increase in the surface adsorption of CH4 via oxygen vacancies formed on the surface of the GDC. On the other hand, the oxygen transfer rate for the oxidation reaction decreased linearly with increasing GDC content due to the oxygen storage ability of GDC. Adsorbed oxygen molecules preferentially insert themselves into oxygen vacancies of the GDC lattice rather than reacting with (Mg,Mn)O to form MgMnO3-δ during the oxidation reaction.

• Ocean Systems Engineering
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• v.10 no.4
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• pp.359-371
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• 2020

The performance of a multi-level overtopping wave energy converter (OWEC) has been numerically and experimentally investigated in a two-dimensional wave tank in order to study the effects of opening width of additional reservoirs. The device is a fixed OWEC consisting of an inclined ramp together with several reservoirs at different levels. A particle-based numerical simulation utilizing the Lattice Boltzmann Method (LBM) is used to simulate the flow behavior around the OWEC. Additionally, an experimental model is also built and tested in a small wave flume in order to validate the numerical results. A comparison in energy captured performance between single-level and multi-level devices has been proposed using the hydraulic efficiency. The enhancement of power capture performance is accomplished by increasing an overtopping flow rate captured by the extra reservoirs. However, a noticeably large opening of the extra reservoirs can result in a reduction in the power efficiency. The overtopping flow behavior into the reservoirs is also presented and discussed. Moreover, the results of hydrodynamic performance are compared with a similar study, of which a similar tendency is achieved. Nevertheless, the LBM simulations consume less computational time in both pre-processing and calculating phases.

• Journal of Korea Society of Digital Industry and Information Management
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• v.18 no.2
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• pp.27-37
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• 2022

In this paper, we presents a Multiple User Multiple Input Multiple Output (MU-MIMO) test-bed system for Time Division Duplex (TDD) Long Term Evolution-Advanced (LTE-A). Using two parameters, the condition number of the channel matrix and the path gain, the MU-MIMO system could switch pre-coder to maintain target Bit Error Rate (BER) level. This paper also introduces a calibration procedure for compensating error of Radio Frequency (RF) paths of the antennas and RF transceivers. From experimental measurements, dynamic pre-coding scheme could maintain target BER, set to 10^-3, with the pre-coder set configured with Zero Forcing (ZF), Tomlinson Harashima Pre-coding (THP), Lattice Reduction (LR). The simplest pre-coder ZF is adopted in stable channel, and when path gain become less than 0.25, LR is adopted. Lastly, when condition number of channel matrix become larger than 7, THP is adopted.