• Nuclear Engineering and Technology
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• v.53 no.2
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• pp.611-617
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• 2021

The mechanical properties of α-Na₃(U_0.84(2),Na_0.16(2))O₄ have been researched using the first-principles calculations combined with the quasi-harmonic Debye model. The obtained lattice parameters agree well with the published experimental data. The results of elastic constants indicate that α-Na₃(U_0.84(2),Na_0.16(2))O₄ is mechanically stable. The polycrystalline moduli are predicted. The results show that the α-Na₃(U_0.84(2),Na_0.16(2))O₄ exhibits brittleness and possesses obvious elastic anisotropy. The hardness shows that it can be considered a "soft material". Furthermore, the Debye temperature θ_D and the minimum thermal conductivity k_min are also discussed, respectively. Finally, the thermal expansion coefficient α, isobaric heat capacity C_P and isochoric heat capacity C_V are evaluated through the quasi-harmonic Debye model.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.23 no.6
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• pp.713-721
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• 1999

A composite plastic, where long metallic fibers are used as filling materials, is transformed from nonconducting to conducting medium as the volume fraction of filling metallic fibers is increased from zero : such drastic change in property is called the percolation. It is desired both for practical and theoretical purposes to understand the physics underlying the percolation and to estimate the percolation threshold that is defined by the minimum volume fraction of the metallic fibers for which the percolation occurs. In this study, percolation thresholds are calculated by Monte Carlo Computer simulation. Both lattice and continuum spaces are considered and detailed microstructures of metallic fibers are modelled as rigid and flexible bodies for both model spaces. Simulations are carried out for wide range of aspect ratios and discussions are given.

• Advances in nano research
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• v.9 no.2
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• pp.105-112
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• 2020

Silicene is a two-dimensional (2D) derivative of silicon (Si) arranged in honeycomb lattice. It is predicted to be compatible with the present fabrication technology. However, its gapless properties (neglecting the spin-orbiting effect) hinders its application as digital switching devices. Thus, a suitable band gap engineering technique is required. In the present work, the band structure and density of states of uniformly doped silicene are obtained using the nearest neighbour tight-binding (NNTB) model. The results show that uniform substitutional doping using aluminium (Al) has successfully induced band gap in silicene. The band structures of the presented model are in good agreement with published results in terms of the valence band and conduction band. The band gap values extracted from the presented models are 0.39 eV and 0.78 eV for uniformly doped silicene with Al at the doping concentration of 12.5% and 25% respectively. The results show that the engineered band gap values are within the range for electronic switching applications. The conclusions of this study envisage that the uniformly doped silicene with Al can be further explored and applied in the future nanoelectronic devices.

• Advances in aircraft and spacecraft science
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• v.4 no.4
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• pp.353-369
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• 2017

Flutter is a dangerous phenomenon encountered in flexible structures subjected to aerodynamic forces. This includes aircraft, buildings and bridges. Flutter occurs as a result of interactions between aerodynamic, stiffness, and inertia forces on a structure. In an aircraft, as the speed of the flow increases, there may be a point at which the structural damping is insufficient to damp out the motion which is increasing due to aerodynamic energy being added to the structure. This vibration can cause structural failure, and therefore considering flutter characteristics is an essential part of designing an aircraft. Scientists and engineers studied flutter and developed theories and mathematical tools to analyze the phenomenon. Strip theory aerodynamics, beam structural models, unsteady lifting surface methods (e.g., Doublet-Lattice) and finite element models expanded analysis capabilities. Periodic Structures have been in the focus of research for their useful characteristics and ability to attenuate vibration in frequency bands called "stop-bands". A periodic structure consists of cells which differ in material or geometry. As vibration waves travel along the structure and face the cell boundaries, some waves pass and some are reflected back, which may cause destructive interference with the succeeding waves. This may reduce the vibration level of the structure, and hence improve its dynamic performance. In this paper, for the first time, we analyze the flutter characteristics of a wing with a periodic change in its sandwich construction. The new technique preserves the external geometry of the wing structure and depends on changing the material of the sandwich core. The periodic analysis and the vibration response characteristics of the model are investigated using a finite element model for the wing. Previous studies investigating the dynamic bending response of a periodic sandwich beam in the absence of flow have shown promising results.

• Journal of the Korean Magnetics Society
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• v.17 no.2
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• pp.86-89
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• 2007

[ $FeCr_2Se_4$ ] prepared under the high pressure (3 GPa) has been studied with x-ray, neutron diffraction techniques, superconducting quantum interference device (SQUID) magnetometer, resistance, and Mossbauer spectroscopy. The temperature dependence of resistance is explained by Mott-VRH and small polaron model for the regions I (T<20 K) and II (T>42 K), respectively. Neutron diffraction results show an antiferromagnetic spin-lattice coupling near the Neel temperature. So finally the distance of atom is enlarged in region (110$FeCr_2Se_4$ shows convex type of temperature dependence.

• Advances in materials Research
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• v.1 no.2
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• pp.115-128
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• 2012

The structural and electrical properties of $(1-x)Ba(Sm_{1/2}Nb_{1/2})O_3-xBaTiO_3$; ($0{\leq}x{\leq}1$) ceramics were prepared by conventional ceramic technique at $1375^{\circ}C$/7 h in air atmosphere. The crystal symmetry, space group and unit cell dimensions were derived from the X-ray diffraction (XRD) data using FullProf software whereas crystallite size and lattice strain were estimated from Williamson-Hall approach. XRD analysis of the compound indicated the formation of a single-phase cubic structure with the space group Pm m. Dielectric study revealed that the compound $0.75Ba(Sm_{1/2}Nb_{1/2})O_3-0.25BaTiO_3$ is having low and ${\varepsilon}^{\prime}$ and ${\varepsilon}^{{\prime}{\prime}}$ a low $T_{CC}$ (< 5%) in the working temperature range (up to+$100^{\circ}C$) which makes this composition suitable for capacitor application and may be designated as 'Stable Low-K' Class I material as per the specifications of the Electronic Industries Association. The correlated barrier hopping model was employed to successfully explain the mechanism of charge transport in the system. The ac conductivity data were used to evaluate the density of states at Fermi level, minimum hopping length and apparent activation energy of the compounds.

• Korean Journal of Materials Research
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• v.17 no.12
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• pp.637-641
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• 2007

The total energy and strength of Mg alloy doped with Al, Ca and Zn, were calculated using the density functional theory. The calculations was performed by two programs; the discrete variational $X{\alpha}\;(DV-X{\alpha})$ method, which is a sort of molecular orbital full potential method; Vienna Ab-initio Simulation Package (VASP), which is a sort of pseudo potential method. The fundamental mixed orbital structure in each energy level near the Fermi level was investigated with simple model using $DV-X{\alpha}$. The optimized crystal structures calculated by VASP were compared to the measured structure. The density of state and the energy levels of dopant elements was discussed in association with properties. When the lattice parameter obtained from this study was compared, it was slightly different from the theoretical value but it was similar to Mk, and we obtained the reliability of data. A parameter Mk obtained by the $DV-X{\alpha}$ method was proportional to electronegativity and inversely proportional to ionic radii. We can predict the mechanical properties because $\Delta{\overline{Mk}}$is proportional to hardness.

• Journal of Environmental Science International
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• v.25 no.5
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• pp.737-744
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• 2016

For electrolysis process using an insoluble electrode, electrochemical performance was greatly affected by the manufacturing method and procedure, such as the firing temperature, pre-treatment, type of precursor solution, coating method, electrode material, etc. Components of the electrode therein is one of the most important factors in electrochemical reaction. To achieve such characteristics, a appropriate ratio of the electrode material should be carefully chosen. The aim of this research was to apply experimental design method in the optimization of electrode component for the maximum generation of oxidants in electrochemical oxidation process. Mixture design, especially expanded simplex lattice design, in DOME (design of mixture experiments) with Design Expert - commercial software - was used to analyze the data. Analysis of variance (ANOVA) showed a high coefficient of determination ($R^2$) value of 0.9470, thus ensuring a satisfactory adjustment of the $3^{rd}$ order special cubic regression model with the experimental data. The application of response surface methodology (RSM) yielded the following regression equation, which is an empirical relationship between the TRO generation concentration and independent variables(mol ratio of 3 electrode components) in a real unit: TRO generation concentration $(mg/L)=TRO\;conc.=98.25{\times}[Ir]+49.71{\times}[Sn]+95.29{\times}[Sb]-16.91{\times}[Ir]{\times}[Sn]-29.47{\times}[Ir]{\times}[Sb]-22.65{\times}[Sn]{\times}[Sb]+703.19{\times}[Ir]{\times}[Sn]{\times}[Sb]$. The optimized formulation of the 3 component electrode for an high TRO (total residual oxidants) generation was acquired at mol ratio of Ir 0.406, Sn 0.210, Sb 0.384 (desirability d value, 1).

• Journal of Hydrogen and New Energy
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• v.16 no.3
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• pp.244-252
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• 2005

It is very interesting and important in the academic point of view and in practical use the hydrogen-induced phase separation(HIPS) which appears during hydrogen heat treatment. Since hydrogen can be removed very fast by pumping it out the hydrogen-induced new lattice phase which can not be obtained without hydrogen can be preserved as meta-stable state. In this study it has been investigated whether the HIPS appear in Pd-Al, Pd-Co, Pd-Cr, Pd-Ti, Pd-V and Pd-Zr alloys and discussed thermodynamic representation of the HIPS. The Pd alloys were arc-melted under argon atmosphere and remelted 4 or 5 times for homogenization. The alloys were annealed at 600$^{\circ}C$ under vacuum for 24 hrs and then subjected to pressure-composition isotherm measurements at 100$^{\circ}C$. The hydrogen heat treatment(HHT) of samples was carried out at 600$^{\circ}C$ under hydrogen pressure of 70 bar for 6 days and PC isotherms at 100$^{\circ}C$ were measured. By comparing the PC isotherms measured before and after HHT, occurrence of phase separation was determined. The experimental results showed that the HIPS appeared only in Pd-0.05Co alloy. For Pd-Co alloys with various composition the PC isotherms were measured. By adopting Park-Flanagan model for ternary thermodynamics the Gibbs free energy change for Pd-Co-H solid solution was calculated and subsequently with this the HIPS in Pd-Co alloy was explained fairly.

• Electrical & Electronic Materials
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• v.16 no.9
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• pp.64.2-65
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• 2003

A 4 nm layer of ZrOx (targeted x-2) was deposited on an interfacial layer(IL) of native oxide (SiO, t∼1.2 nm) surface on 200 mm Si wafers by a manufacturable atomic layer chemical vapor deposition technique at 30$0^{\circ}C$. Some as-deposited layers were subjected to a post-deposition, rapid thermal annealing at $700^{\circ}C$ for 5 min in flowing oxygen at atmospheric pressure. The experimental x-ray diffraction, x-ray photoelectron spectroscopy, high-resolution transmission electron microscopy, and high-resolution parallel electron energy loss spectroscopy results showed that a multiphase and heterogeneous structure evolved, which we call the Zr-O/IL/Si stack. The as-deposited Zr-O layer was amorphous $ZrO_2$-rich Zr silicate containing about 15% by volume of embedded $ZrO_2$ nanocrystals, which transformed to a glass nanoceramic (with over 90% by volume of predominantly tetragonal-$ZrO_2$(t-$ZrO_2$) and monoclinic-$ZrO_2$(m-$ZrO_2$) nanocrystals) upon annealing. The formation of disordered amorphous regions within some of the nanocrystals, as well as crystalline regions with defects, probably gave rise to lattice strains and deformations. The interfacial layer (IL) was partitioned into an upper Si $o_2$-rich Zr silicate and the lower $SiO_{x}$. The latter was sub-toichiometric and the average oxidation state increased from Si0.86$^{＋}$ in $SiO_{0.43}$ (as-deposited) to Si1.32$^{＋}$ in $SiO_{0.66}$ (annealed). This high oxygen deficiency in $SiO_{x}$ indicative of the low mobility of oxidizing specie in the Zr-O layer. The stacks were characterized for their dielectric properties in the Pt/{Zr-O/IL}/Si metal oxide-semiconductor capacitor(MOSCAP) configuration. The measured equivalent oxide thickness (EOT) was not consistent with the calculated EOT using a bilayer model of $ZrO_2$ and $SiO_2$, and the capacitance in accumulation (and therefore, EOT and kZr-O) was frequency dispersive, trends well documented in literature. This behavior is qualitatively explained in terms of the multi-layer nanostructure and nanochemistry that evolves.ves.ves.