• Proceedings of the Korean Society of Precision Engineering Conference
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• 1997.10a
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• pp.572-575
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• 1997

The embedded atom method based on density functional theory was developed as a new means for calculating ground state properties of realistic metal system by Murray S. Daw, Stephen M. Foiles and Michael I. Baskes. In the paper, we had corrected constitutive formulae and parameters on the nickel for the purpose of doing Embedded Atom Method analysis. And then we have computed the properties of the nickel on the fundamental scale of the atomic structure. In result, simulated ground state properties, such as the lattice constant, elastics constants and sublimation energy, show good agreement with Daw's simulation data and with experimental data.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.9 no.4
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• pp.424-431
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• 1999

The reproducibility of successive growth of $Bi_{12}TiO_{20}$ (BTO) single crystlas using a top-seeded solution growth (TSSG) pulling method was evalutated by measuring the lattice constants and their standard deviations. A substantial phase diagram in the region close to the stoichiometric BTO was established expermentally for this purpose, and the existence of a retrograde solid solution close to a BTO was clarified. It was emphasized that a starting solution, with a 10.0~10.1 mol% $TiO_{2}$ concentration, results in large single crystals with a highly homogeneous lattice constant of within ${\pm}1{\times}10^{-4}\AA$, when the solidified fraction of the grown crystal is less than about 45 %. A wavelength dispersion of refractive index was measrued for the first time, and it was verified that the refractive index of BTO is larger than that of BSO($Bi_{12}TiO_{20}$), allowing the voltage sensitivity of EOS higher than the case with BSO as a probe head.

• Proceedings of the KSME Conference
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• 2008.11a
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• pp.1794-1799
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• 2008

The effect of misfit on the indentation behaviour of silver coated copper multilayer was studied by molecular dynamics simulation. It was found that the misfit bands on interface formed by the mismatch of lattice structure between copper and silver in slip direction [110] and the dislocation band width depended on the mismatched lattice constants of materials. More dislocations were created and glided by indentation, which created a "four-wing flower" structure consisting of pile. up of dislocation at the interface. The size of "flower" depended on the thickness of silver layer. The critical thickness for "flower" was approximately 4nm above which the "flower" disappeared. As the result, deformation mechanisms such as dislocation pile-up, dislocation cross-slip and movement of misfit dislocation were revealed. Only silver atoms in the dislocation pile-up were involved in the creation of the "flower" while the dislocations in copper were glided in slip direction on interface.

• Journal of the Korean Magnetic Resonance Society
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• v.2 no.1
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• pp.1-23
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• 1998

The motions of carbon-chain backbone in n-undecance and n-dodecane dissolved in CDCl3 are investigated by 13C NMR relaxation study. For this purpose a model of C - C backbone motions for these molecules is introduced that takes into account the cooperativities between rotations about two $\beta$-coupled C - C bonds. In this model it is assumed that the major conformational interconversions occurring in the inner part of the chain involve the type II jumps only, although at terminal part of the chain both type II and type III motions are assumed to take place. Information of the rate constants of these conformational transitions could be extracted by comparing the T1's calculated on the basis of the assumed model with those observed over the temperature range of 248 - 308 K. The calculations were performed according to the method proposed by Wittebort and Szabo. The activation energies, ranging from ca 12 to 20 kJ/mol, could be obtained from the Arrhenius plots of these calculated rate constants.

• Bulletin of the Korean Chemical Society
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• v.34 no.1
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• pp.128-132
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• 2013

L-Arginine semi-oxalate (LASO) single crystal has been grown by solution growth technique at room temperature. The crystal structure and lattice parameters were determined for the grown crystal by single crystal X-ray diffraction studies. Photoluminescence studies confirm the violet fluorescence emission peak at 395 nm. Optical constants like band gap, refractive index, reflectance, extinction coefficient and electric susceptibility were determined from UV-VIS-NIR spectrum. The dielectric constant, dielectric loss and ac conductivity of the compound were calculated at different temperatures and frequencies to analyze the electrical properties. The solid state parameters such as plasma energy, Penn gap, Fermi energy and polarizability were calculated to analyze second harmonic generation (SHG). Nonlinear optical property was discussed to confirm the SHG efficiency of the grown crystal.

• Proceedings of the Korean Vacuum Society Conference
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• 1998.06a
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• pp.75-75
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• 1998

• 전기의세계
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• v.28 no.4
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• pp.53-63
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• 1979

Interface recombination velocity in $Al_{x}$G $a_{1-x}$ As-GaAs and $Al_{0.85}$, G $a_{0.15}$ As-GaA $s_{1-y}$S $b_{y}$ heterojunction systems is studied as a function of lattice mismatch. The results are applied to the design of highly efficient III-V heterojunction solar cells. A horizontal liquid-phase epitaxial growth system was used to prepare p-p-p and p-p-n $Al_{x}$G $a_{1-x}$ As-GaA $s_{1-y}$S $b_{y}$-A $l_{x}$G $a_{1-x}$ As double heterojunction test samples with specified values of x and y. Samples were grown at each composition, with different GaAs and GaAs Sb layer thicknesses. A method was developed to obtain the lattice mismatch and lattice constants in mixed single crystals grown on (100) and (111)B oriented GaAs substrates. In the AlGaAs system, elastic lattice deformation with effective Poisson ratios .mu.$_{eff}$ (100=0.312 and .mu.$_{eff}$ (111B) =0.190 was observed. The lattice constant $a_{0}$ (A $l_{x}$G $a_{1-x}$ As)=5.6532+0.0084x.angs. was obtained at 300K which is in good Agreement with Vegard's law. In the GaAsSb system, although elastic lattice deformation was observed in (111) B-oriented crystals, misfit dislocations reduced the Poisson ratio to zero in (100)-oriented samples. When $a_{0}$ (GaSb)=6.0959 .angs. was assumed at 300K, both (100) and (111)B oriented GaAsSb layers deviated only slightly from Vegard's law. Both (100) and (111)B zero-mismatch $Al_{0.85}$ G $a_{0.15}$As-GaA $s_{1-y}$S $b_{y}$ layers were grown from melts with a weight ratio of $W_{sb}$ / $W_{Ga}$ =0.13 and a growth temperature of 840 to 820 .deg.C. The corresponding Sb compositions were y=0.015 and 0.024 on (100) and (111)B orientations, respectively. This occurs because of a fortuitous in the Sb distribution coefficient with orientation. Interface recombination velocity was estimated from the dependence of the effective minority carrier lifetime on double-heterojunction spacing, using either optical phase-shift or electroluminescence timedecay techniques. The recombination velocity at a (100) interface was reduced from (2 to 3)*10$^{4}$ for y=0 to (6 to 7)*10$^{3}$ cm/sec for lattice-matched $Al_{0.85}$G $a_{0.15}$As-GaA $s_{0.985}$S $b_{0.015}$ Although this reduction is slightly less than that expected from the exponential relationship between interface recombination velocity and lattice mismatch as found in the AlGaAs-GaAs system, solar cells constructed from such a combination of materials should have an excellent spectral response to photons with energies over the full range from 1.4 to 2.6 eV. Similar measurements on a (111) B oriented lattice-matched heterojunction produced some-what larger interface recombination velocities.ities.ities.s.

• Journal of the Korean Vacuum Society
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• v.10 no.2
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• pp.213-218
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• 2001

ZnO and ZnO:In films were deposited on the glass substrates by a spray pyrolysis method. It is found that ZnO films were polycrystalline with the preferred orientation (002) and have a hexagonal structure with lattice constants of a=3.242 $\AA$ and c=5.237 $\AA$. The crystalline structure of ZnO:In films deposited at the In content of 0~6.03 at. % were the same as that of ZnO films, but its lattice constants was slightly larger than those of ZnO films. The relative atomic ratios of metal ion of ZnO:In films were in accordance with those of the spray solution within the experimental error. The minimum resistivity of and the maximum carrier concentration of 19.1 $\Omega\cdot\textrm{cm}$ and the maximum carrier concentration of $2.11\times10^{19}\textrm{cm}^{-3]$ obtained from the ZnO:In films when In content was 2.76 at. %. The optical transmission of the sample grown at the In content of 3.93 at. % was about 95% in the wavelength between 400 and 800 nm.

• Korean Journal of Materials Research
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• v.32 no.2
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• pp.66-71
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• 2022

In this article, Pb₂Ba_1.7Sr_0.3Ca₂Cu₃O_10+δ superconductor material was synthesized using conventional solid-state reaction method. X-ray diffraction (XRD) analysis demonstrated one dominant phase 2223 and some impurities in the product powder. The strongest peaks in the XRD pattern were successfully indexed assuming a pseudo-tetragonal cell with lattice constants of a = 3.732, b = 3.733 and c = 14.75 Å for a Pb-Based compound. The crystallite size and lattice strain between the layers of the studied compound were estimated using several methods, namely the Scherrer, Williamson-Hall (W.H), size-strain plot (SSP) and Halder Wagner (H.W) approach. The values of crystallite size, calculated by Scherrer, W.H, SSP and H.W methods, were 89.4540774, 86.658638, 87.7555823 and 85.470086 Å, respectively. Moreover, the lattice strain values obtained by W.H, SSP and H.W methods were 0.0063240, 0.006325 and 0.006, respectively. It was noted that all crystallite size results are consistent; however, the best method is the size-strain plot because it gave a value of R² approaching one. Furthermore, degree of crystallites was calculated and found to be 59.003321%. Resistivity analysis suggests zero-resistance, which is typical of superconducting materials at critical temperature. Four-probe technique was utilized to measure the critical temperature at onset T_c(onset), zero resistivity T_{c(off set)}, and transition (width ΔT), corresponding to temperatures of 128 K, 116 K, and 12 K, respectively.

• Journal of the Korean Mathematical Society
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• v.52 no.4
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• pp.853-868
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• 2015

Let G be a complex semisimple simply connected linear algebraic group. The main result of this note is to give several equivalent criteria for the untwistedness of the twisted cubes introduced by Grossberg and Karshon. In certain cases arising from representation theory, Grossberg and Karshon obtained a Demazure-type character formula for irreducible G-representations as a sum over lattice points (counted with sign according to a density function) of these twisted cubes. A twisted cube is untwisted when it is a "true" (i.e., closed, convex) polytope; in this case, Grossberg and Karshon's character formula becomes a purely positive formula with no multiplicities, i.e., each lattice point appears precisely once in the formula, with coefficient +1. One of our equivalent conditions for untwistedness is that a certain divisor on the special fiber of a toric degeneration of a Bott-Samelson variety, as constructed by Pasquier, is basepoint-free. We also show that the strict positivity of some of the defining constants for the twisted cube, together with convexity (of its support), is enough to guarantee untwistedness. Finally, in the special case when the twisted cube arises from the representation-theoretic data of $\lambda$ an integral weight and $\underline{w}$ a choice of word decomposition of a Weyl group element, we give two simple necessary conditions for untwistedness which is stated in terms of $\lambda$ and $\underline{w}$.