• Title/Summary/Keyword: Lattice relaxation

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An NMR Study on Complexation of Ethylammonium Ion by Alkyl p-tert-Butylcalix[6]aryl Ester Derivatives

  • 안상두;문철순;정기주;이조웅;오원석;장석규
    • 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.

An Alternative X-ray Diffraction Analysis for Comprehensive Determination of Structural Properties in Compositionally Graded Strained AlGaN Epilayers

  • Das, Palash;Jana, Sanjay Kumar;Halder, Nripendra N.;Mallik, S.;Mahato, S.S.;Panda, A.K.;Chow, Peter P.;Biswas, Dhrubes
    • Electronic Materials Letters
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    • v.14 no.6
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    • pp.784-792
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    • 2018
  • In this letter, a standard deviation based optimization technique has been applied on High Resolution X-ray Diffraction symmetric and asymmetric scan results to accurately determine the Aluminum molar fraction and lattice relaxation of Molecular Beam Epitaxy grown compositionally graded Aluminum Gallium Nitride (AlGaN)/Aluminum Nitride/Gallium Nitride (GaN) heterostructures. Mathews-Blakeslee critical thickness model has been applied in an alternative way to determine the partially relaxed AlGaN epilayer thicknesses. The coupling coefficient determination has been presented in a different perspective involving sample tilt method by off set between the asymmetric planes of GaN and AlGaN. Sample tilt is further increased to determine mosaic tilt ranging between $0.01^{\circ}$ and $0.1^{\circ}$.

$^{63}Cu$ NQR Study of the Anisotropy in $YBa_{2}Cu_{3}O_{7}$ ($YBa_{2}Cu_{3}O_{7}$의 비등방성에 관한 $^{63}Cu$ 핵사중극공명 연구)

  • B. Chang;Cheol-Eui Lee
    • Journal of the Korean Magnetics Society
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    • v.4 no.1
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    • pp.48-51
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    • 1994
  • We have studied the room temperature anisotropy in the high $T_{c}$ superconductor $YBa_{2}Cu_{3}O_{7}$ by means of the $^{63}Cu$ nuclear quadrupole resonance (NQR). For the magnetically oriented powder samples, NQR signals were obtained only when the RF magnetic field is applied perpendicular to the direction of the crystalline c-axis. Significant differences in the spin-lattice relaxation times ($T_{1}$) and the lineshapes were observed between the unoriented powder sample and the magnetically oriented sample.

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Annealing Effect on Magnetic Properties and Electromagnetic Absorption Behaviors for Fe-Cr Alloy Powder-Polymer Composites

  • Lee, Sung-Jae;Kim, Yoon-Bae;Lee, Kyung-Sub;Kim, Sang-Woo
    • Journal of Magnetics
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    • v.12 no.1
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    • pp.49-52
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    • 2007
  • We investigated annealing effect of microforged powders on magnetic properties and electromagnetic absorption behaviors for ferromagnetic Fe-Cr metal alloy powder-polymer composites. The coercive properties greatly decreased with annealing temperature and the magnetic permeability had significantly increased after microforging and subsequent annealing treatment, due to a reduction in lattice strain of the microforged powders. The power loss in the far field regime also had greatly increased after microforging and subsequent annealing treatment in frequency range from 50 MHz to 6 GHz. As a result, the electromagnetic absorption of ferromagnetic Fe-Cr alloy metal powder-polymer composites was highly improved because of the relaxation of the internal strain during annealing process.

$^{13}$C NMR Study of Segmental Motions of n-Heptane in Neat Liquid

  • Min, Buem-Chan;Chang, Sei-Hun;Shin, Kook-Joe;Lee, Jo-Woong
    • Bulletin of the Korean Chemical Society
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    • v.6 no.6
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    • pp.354-358
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    • 1985
  • Carbon-13 nuclear spin-lattice relaxation times have been measured over the range of temperature from 213K to 353K for carbons in n-heptane in neat liquid. The experimental data have been analyzed to obtain informations of segmental motions in the chain polymers by employing a model which describes jumps between several discrete states with different lifetimes. The overall reorientation of the molecule is assumed to be isotropic rotational diffusion. From the above analysis the activation energies of each C-C bond reorientation as well as the overall reorientation have been obtained through the Arrhenius-type temperature dependence.

Solid-state NMR Studies of Phenethyl Sulfonic Acid-functionalized MCM-41

  • Chul Kim
    • Journal of the Korean Chemical Society
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    • v.68 no.2
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    • pp.74-81
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    • 2024
  • A sulfonic acid-water-silanol system in SO3H-functionalized MCM-41 was investigated using solid-state nuclear magnetic resonance techniques. The proton exchange rate between a water molecule and a silanol group in the S-PE-MCM-41 was determined by analyzing the 1D proton spectra, the proton EXSY spectrum, and 2H spin-lattice relaxation data under various hydration levels. Two kinds of water-bounding sites were found in the S-PE-MCM-41: weakly and strongly bound sites. Over several hours, water molecules bound to the weakly bound sites at the low hydration level migrated to the strongly bound sites. At high temperature, the S-PE-MCM-41 easily lost water molecules weakly bound to the silanol, while the strongly bound water molecules survived. Water molecules that participated in the hydration of the phenethyl sulfonate were involved in the hydrogenbonded silanol mechanism of proton conductivity. This phenomenon contributes higher proton conductivity to the S-PE-MCM-41 by the cooperation of sulfonyl and silanol groups in the proton transfer process, even at higher temperature.

Interface structure and anisotropic strain relaxation of nonpolar a-GaN on r-sapphire

  • Gong, Bo-Hyeon;Jo, Hyeong-Gyun;Song, Geun-Man;Yun, Dae-Ho
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2010.06a
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    • pp.31-31
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    • 2010
  • The growth of the high-quality GaN epilayers is of significant technological importance because of their commercializedoptoelectronic applications as high-brightness light-emitting diodes (LEDs) and laser diodes (LDs) in the visible and ultraviolet spectral range. The GaN-based heterostructural epilayers have the polar c-axis of the hexagonal structure perpendicular to the interfaces of the active layers. The Ga and N atoms in the c-GaN are alternatively stacked along the polar [0001] crystallographic direction, which leads to spontaneous polarization. In addition, in the InGaN/GaN MQWs, the stress applied along the same axis contributes topiezoelectric polarization, and thus the total polarization is determined as the sum of spontaneous and piezoelectric polarizations. The total polarization in the c-GaN heterolayers, which can generate internal fields and spatial separation of the electron and hole wave functions and consequently a decrease of efficiency and peak shift. One of the possible solutions to eliminate these undesirable effects is to grow GaN-based epilayers in nonpolar orientations. The polarization effects in the GaN are eliminated by growing the films along the nonpolar [$11\bar{2}0$] ($\alpha$-GaN) or [$1\bar{1}00$] (m-GaN) orientation. Although the use of the nonpolar epilayers in wurtzite structure clearly removes the polarization matters, however, it induces another problem related to the formation of a high density of planar defects. The large lattice mismatch between sapphiresubstrates and GaN layers leads to a high density of defects (dislocations and stacking faults). The dominant defects observed in the GaN epilayers with wurtzite structure are one-dimensional (1D) dislocations and two-dimensional (2D) stacking faults. In particular, the 1D threading dislocations in the c-GaN are generated from the film/substrate interface due to their large lattice and thermal coefficient mismatch. However, because the c-GaN epilayers were grown along the normal direction to the basal slip planes, the generation of basal stacking faults (BSFs) is localized on the c-plane and the generated BSFs did not propagate into the surface during the growth. Thus, the primary defects in the c-GaN epilayers are 1D threading dislocations. Occasionally, the particular planar defects such as prismatic stacking faults (PSFs) and inversion domain boundaries are observed. However, since the basal slip planes in the $\alpha$-GaN are parallel to the growth direction unlike c-GaN, the BSFs with lower formation energy can be easily formed along the growth direction, where the BSFs propagate straightly into the surface. Consequently, the lattice mismatch between film and substrate in $\alpha$-GaN epilayers is mainly relaxed through the formation of BSFs. These 2D planar defects are placed along only one direction in the cross-sectional view. Thus, the nonpolar $\alpha$-GaN films have different atomic arrangements along the two orthogonal directions ($[0001]_{GaN}$ and $[\bar{1}100]_{GaN}$ axes) on the $\alpha$-plane, which are expected to induce anisotropic biaxial strain. In this study, the anisotropic strain relaxation behaviors in the nonpolar $\alpha$-GaN epilayers grown on ($1\bar{1}02$) r-plane sapphire substrates by metalorganic chemical vapor deposition (MOCVO) were investigated, and the formation mechanism of the abnormal zigzag shape PSFs was discussed using high-resolution transmission electron microscope (HRTEM).

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Numerical Investigation of Mixing Characteristics in Cavity Flow at Various Aspect Ratios (종횡비에 따른 공동형상 내부에서의 혼합특성에 관한 수치적 연구)

  • Shin, Myung Seob;Yang, Seung Deok;Yoon, Joon Yong
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.39 no.1
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    • pp.79-88
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    • 2015
  • This study numerically examined the mixing characteristics of rectangular cavity flows by using the hybrid lattice Boltzmann method (HLBM) applied to the finite difference method (FDM). Multi-relaxation time was used along with a passive scalar method which assumes that two substances have the same mass and that there is no interaction. First, we studied numerical results such as the stream function, position of vortices, and velocity profile for a square cavity and rectangular cavity with an aspect ratio of 2. The data were compared with previous numerical results that have been proven to be reliable. We also studied the mixing characteristics of a rectangular cavity flow such as the concentration profile and average Sherwood number at various Pe numbers and aspect ratios.

1H Nuclear Magnetic Resonance of a Ferroelectric Liquid Crystalline System

  • Cha, J.K.;Lee, K.W.;Oh, I.H.;Han, J.H.;Lee, Cheol-Eui;Jin, J.I.;Choi, J.Y.
    • Journal of Magnetics
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    • v.15 no.2
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    • pp.61-63
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    • 2010
  • We used $^1H$ nuclear magnetic resonance (NMR) to study the phase transitions and molecular dynamics in a characteristic ferroelectric liquid crystal with a carbon number n = 7, S-2-methylbutyl 4-n-heptyloxybiphenyl-4'-carboxylate (C7). The results were compared with those of our recent work on S-2-methylbutyl 4-n-octanoyloxybiphenyl-4'-carboxylate (C8), with a carbon number n = 8. While the recrystallization and isotropic phase transitions exhibited a first-order nature in the $^1H$ NMR spin-lattice and spin-spin relaxation measurements, a second-order nature was shown at the Sm-A - Sm-$C^*$ liquid crystalline phase transition. A soft-mode anomaly arising from the tilt angle amplitude fluctuation of the director, of which only a hint had been noticed in the C8 system, was manifested in the C7 system at this transition.

Investigation on glass transition temperature of low density polyethylene by the characteristics of temperature dependent linear expansion (선팽창 온도특성에 의한 저밀도 폴리에틸렌의 유리 천이온도에 대한 고찰)

  • 김봉흡;강도열;김재환
    • 전기의세계
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    • v.30 no.7
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    • pp.441-447
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    • 1981
  • As a preceeding work for the study on dielectric characterstics of a kind of low density polyethylene introduced morphological change by mechanical method, glass transition temperature which is regarded as a macroscopic aspect for relaxation of molecular chain segments has been observed by means of temperature dependent dilatometric measurement. The origina specimen clearly shows two knees which correspond to two peaks (.gamma. and .betha. peak) in the intenal friction measurement, suggesting the existence of separated glass transition temperatures at 150.deg.k and 260.deg.k respectively. On the specimen irradiated to 100 Mrad both glass transition temperatures tend to shift towards high temperature sides because of crosslinking by irradiation. furthemore an evidence can be seen that radiation effect, even in amorphous phase, is also slelctive depending on slight morphological differences. The specimen extended to four times in length shows a peculiar nature such as negative linear thermal expansion coefficient increasing with temperature between 220.deg.k and ambient temperature and that this fact is interpreted by considering that c axis of the lattice aligns along the extended direction by drawing, further c axis inherently possesses the characteristics of negative linear thermal expansion coefficient. For the observations that the relatively small positive linear expansion on the specimen extended to ca. two times as well as the part below 220.deg.k of the specimen extended to four times, it is considered for the reason of the facts that the incompletely oriented region indicated as the middle part of Peterlin's model tends to restore partially to orginal arrangement-a kind of phase transition-as increasing with temperature.

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