• Journal of the Korean Ceramic Society
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• v.25 no.6
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• pp.577-584
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• 1988

Gd1Ba2Cu3O9-x has been found to be a high Tc superconductor with a transitiion onset at 91K and zero resistance achieved at 87K. The structure as determined from x-ray diffraction is orthorhombic, with lattice constants b=3.842$\pm$0.002$\AA$, b=3.895$\pm$0.003$\AA$, and c=11.684$\pm$0.007$\AA$. The structural similarities between the Gd1Ba2Cu3O9-x compound and the well-studied single phase perovskite, Y1Ba2Cu3O9-x are discussed. A correlation between the observed x-ray spectrum and the effect of oxygen deficiencies in several of the unit cell planes is also discussed.

• Journal of Magnetics
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• v.16 no.3
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• pp.201-205
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• 2011

We performed total energy and electronic structure calculations for the basic ground state properties of Fe using the conventional generalized gradient approximation (GGA) and screened hybrid functionals as the form of the exchange-correlation functional. To that end, we calculated structural (equilibrium lattice constants, bulk moduli, and cohesive energies) and electronic (magnetic moments and densities of states) properties. Both functional calculations gave the correct ground state, the ferromagnetic bcc phase, in which the structural parameters agreed well with experimental results. However, the description of the cohesive energies and magnetic moments at the ground state exhibited different behavior from each other: the unusually small cohesive energy and large magnetic moment were observed in the screened hybrid functional calculations compared to the GGA calculations. The reason for the difference was examined by analyzing the calculated electronic structures.

• Structural Engineering and Mechanics
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• v.58 no.4
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• pp.677-687
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• 2016

On the basis of the energy approach it is reported a development of the yield function and the constitutive equations for the orthotropic material with consideration of the crystal lattice constants and parameters of the crystallographic texture for the general stress state. For practical use in sheet metal forming analysis it is considered different loading scenarios: plane stress and plane strain states. Using the proposed yield function, the influence of single ideal components on the shape of yield surface was analyzed. The six texture components investigated here were cube, Goss, copper, brass, S and rotated cube, as these components are typically observed in rolled sheets from FCC alloys.

• 한국논리학회:학술대회논문집
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• 2009.05a
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• pp.38-66
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• 2009

Weakening-free non-associative fuzzy logics, which are based on mica-norms, are introduced as non-associative substructural logics extending $GL_{e\bot}$ (Non-associative Full Lambek calculus with exchange and constants T, F) introduced by Galatos and Ono (cf. see [10, 11]). First, the mica-norm logic MICAL, which is intended to cope with the tautologies of left-continuous conjunctive mica-norms and their residua, and several axiomatic extensions of it are introduced as weakening-free non-associative fuzzy logics. The algebraic structures corresponding to the systems are then defined, and algebraic completeness results for them are provided. Next, standard completeness (i,e. completeness with respect to algebras whose lattice reduct is the real unit interval [0, 1]) is established for these logics by using Jenei and Montagna-style approach for proving standard completeness in [7, 18].

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.21 no.11
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• pp.995-999
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• 2008

ZnO nanowires with tetrapod shape were formed on the surface of the sample by direct melt oxidation of Al-Zn alloy at $1000^{\circ}C$ in air. X-ray diffraction (XRD) pattern revealed that the ZnO nanowires had wurtzite structure of hexagonal phase. Any other element except Zn and O was not detected in energy dispersive X-ray spectrum. The c- and a-axis lattice constants estimated from the XRD pattern were 0.520 and 0.325 nm, respectively. These are in well accordance with those of bulk ZnO single crystal, indicating high quality crystallinity. The green light emission at a wavelength of 510 nm was observed from the nanowires at room temperature, which was ascribed to high density of oxygen vacancies in nanowires.

• Bulletin of the Korean Chemical Society
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• v.19 no.1
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• pp.68-74
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• 1998

The complexation of ethylammonium ion by alkyl p-tert-butylcalix[6]aryl ester derivatives was studied via measurements of proton and carbon spin-lattice relaxation times $(T_1)$ and chemical shift changes in solution state $(CDCl_3)$. The results indicate that the endo-type complexes are formed and that the overall tumbling rates of these complexes are more rapid than those of the corresponding free hosts. The association constants for these complexes in $THF-d_8$ were determined by $^1H$ NMR titration at several different temperatures to estimate the relevant thermodynamic parameters. The logK's for ethylammonium complexes of methyl, ethyl, and propyl esters at 313 K, for example, were found to be 1.56, 3.41, and 3.08, respectively. The complexes formed may be thought of as being kinetically stable in view of their $^1H$ NMR behavior in 2 : 1 host/guest solution.

• Bulletin of the Korean Chemical Society
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• v.17 no.2
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• pp.192-198
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• 1996

We present a theoretical formulation of diffusion process on solid surface based on multidimensional transition state theory (TST). Surface diffusion of single adatom results from hopping processes on corrugated potential surface and is affected by surface vibrations of surface atoms. The rate of rare events such as hopping between lattice sites can be calculated by transition state theory. In order to include the interactions of the adatom with surface vibrations, it is assumed that the coordinates of adatom are coupled to the bath of harmonic oscillators whose frequencies are those of surface phonon modes. When nearest neighbor surface atoms are considered, we can construct Hamiltonians which contain terms for interactions of adatom with surface vibrations for the well minimum and the saddle point configurations, respectively. The escape rate constants, thus the surface diffusion parameters, are obtained by normal mode analysis of the force constant matrix based on the Hamiltonian. The analysis is applied to the diffusion coefficients of W, Ir, Pt and Ta atoms on the bcc(110) plane of W in the zero-coverage limit. The results of the calculations are encouraging considering the limitations of the model considered in the study.

• Bulletin of the Korean Chemical Society
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• v.17 no.2
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• pp.201-205
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• 1996

The crystal and molecular structure of thiourea dioxide, (NH2)2CSO2, was determined by x-ray single crystal diffraction techniques. Lattice constants are a=10.669(2), b=10.119(2), and c=3.9151(5) Å with the space group Pnma and Z=4. The thiourea portion of the molecule has a planar conformation. When the two oxygen atoms are included, the sulfur atom is at the apex of a trigonal pyramid formed with the two oxygen atoms and the carbon atom as the base. The crystal structure is stabilized by strong intermolecular hydrogen bonds. Ab initio calculations were performed to investigate the bonding features and reactivity of thiourea dioxide. The calculated bond order of S-C is only 0.481. The hydrogen bond energy was computed to be 22.3 kcal/mol for dimer. MEP analysis reveals that the sites on nucleophilic reactions are S and C atoms.

• Journal of the Korean Magnetics Society
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• v.17 no.5
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• pp.183-187
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• 2007

Compounds of multiferroic materials $YMn_{2-x}Fe_xO_5$ (x = 0.00, 0.01) were prepared using the sol-gel method. The crystallographic, magnetic and electric properties are studied using x-ray diffraction (XRD), neutron diffraction, vibrating sample magnetometer (VSM) and physical property measurement system (PPMS). The crystalline structure of $YMn_2O_5$ was found to be orthorhombic (Pbam) at room temperature. The lattice constants of $YMn_2O_5$ were determined to be $a_0=7.275\;{\AA},\;b_0=8.487\;{\AA},\;c_0=5.674\;{\AA}$. The lattice constants not changed with Fe concentrations. Our data demonstrate the correlation of magnetic and electric properties in $YMn_2O_5$ materials.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.14 no.2
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• pp.104-110
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• 2001

Structural, optical and electrical properties of Cd$_{1-x}$ Zn$_{x}$S films deposited by chemical bath deposition(CBD), which is a very attractive method for low-cost and large-area solar cells, are presented. Especially, in order to control more effectively the zinc component of the films, zinc acetate, which was used as the zinc source, was added in the reaction solution after preheating the reaction solution and the pH of the reaction solution decreased with increasing the concentration of zinc acetate. The films prepared after preheating and pH control had larger zinc component and higher optical band gap. The crystal structures of Cd$_{1-x}$ Zn$_{x}$S films was a wurtzite type with a preferential orientation of the (002) plane and the lattice constants of the films changed from the value for CdS to those for ZnS with increasing the mole ratio of the zinc acetate. The minimum lattice mismatch between Cd$_{1-x}$ Zn$_{x}$S and CdTe were 2.7% at the mole ratio of (ZnAc$_2$)/(CdAc$_2$+ZnAc$_2$)=0.4. As the more zinc substituted for Cd in the films, the optical transmittance improved, while the absorption edge shifted toward a shorterwavelength. the photoconductivity of the films was higher than the dark conductivity, while the ratio of those increased with increasing the mole ratio of zinc acetate. acetate.