• Title/Summary/Keyword: Electron number Density

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Uptake Effects of Two Electrons for Relative Stability and Atomic Structures of Carbon Cluster Isomers of C20: ab initio Methods

  • Lee, Wang-Ro;Lee, Chang-Hoon;Kang, Jin-Hee;Park, Sung-Soo;Hwang, Yong-Gyoo;Lee, Kee-Hag
    • Bulletin of the Korean Chemical Society
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    • v.30 no.2
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    • pp.445-448
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    • 2009
  • This study examined the effect of the uptake of one and two electrons on the atomic structure of three isomers of $C_{20}$ clusters, namely the ring, bowl (corannulene like), and cage (the smallest fullerene). Geometry optimizations were performed using the hybrid density functional (B3LYP) methods for neutral, singly and doubly charged $C_{20},\;{C_{20}}^-,and\;{C_{20}}^{2-}$. These results show that the symmetry of the lowest energies for ring and bowl isomers were not changed, whereas the increasing order of energy for the cage (the smallest fullerene) isomers was changed from $D_{2h}\;<\;C_{2h}\;{\leq}\;C_2\;of\;C_{20}\;through\;Ci\;<\;C_{2h}\;<\;C_2\;<\;D_{2h}\;of\;{C_{20}}^-\;to\;Ci\;<\;C_2\;<\;D_{2h}\;<\;C_{2h}\;of\;{C_{20}}^{2-}$. The reduced symmetry isomers of the cage have comparative energy and the ground state symmetry of the neutral and single and double charged $C_{20}$ decreased with increasing number of electrons taken up in the point of energetics. Interestingly, the difference in energy between the ground state and the next higher energy state of ${C_{20}}^{2-}$ was 3.5kcal/mol, which is the largest energy gap of the neutral, single anion and double anion of the cage isomers examined.

Effects of HA and TiN Coating on the Electrochemical Characteristics of Ti-6Al-4 V Alloys for Bone Plates

  • Oh, Jae-Wook;Choe, Han-Cheol;Ko, Yeong-Mu
    • Journal of the Korean institute of surface engineering
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    • v.37 no.5
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    • pp.249-252
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    • 2004
  • Effects of HA and TiN coating on the electrochemical characteristics of Ti-6AI-4V alloys for bone plates were investigated using various test methods. Ti-6AI-4V alloys were fabricated by using a vacuum induction furnace and bone plates were made by laser cutting and polishing. HA was made of extracted tooth sintered and then tooth ash was used as HA coating target. The TiN and HA film coating on the surface were carried on using electron-beam physical vapor deposition (EB-PVD) method. The corrosion behaviors of the samples were examined through potentiodynamic method in 0.9% NaCI solutions at $36.5\pm$$1^{\circ}C$ and corrosion surface was observed using SEM and XPS. The surface roughness of TiN coated bone plates was lower than that of tooth ash coated plates. The structure of TiN coated layer showed the columnar structure and tooth ash coated layer showed equiaxed and anisotrophic structure. The corrosion potential of the TiN coated specimen is comparatively high. The active current density of TiN and tooth ash coated alloy showed the range of about $1.0xl0^{-5}$ $A\textrm{cm}^2$, whereas that of the non-coated alloy was$ 1.0xl0^{-4}$ $A\textrm{cm}^2$. The active current densities of HA and TiN coated bone plates were smaller than that of non-coated bone plates in 0.9% NaCl solution. The pitting potential of TiN and HA coated alloy is more drastically increased than that of the non-coated alloy. The pit number and pit size of TiN and HA coated alloy decreased in compared with those of non-coated alloy. For the coated samples, corrosion resistance increased in the order of TiN coated, tooth ash coated, and non-coated alloy.

AN EXPERIMENTAL STUDY OF THE IRRADIATION EFFECTS ON THE CAPILLARY AND ENDOTHEILIAL CELL OF THE RAT SUBMANDIBULAR GLAND (방사선조사가 악하선 미세혈관과 내피세포에 미치는 영향에 관한 실험적 연구)

  • Yoo Young-Ah;Sohn Jeong-Ick;Choi Mi;Bae Yong-Chul;Choi Karp-Shik
    • Journal of Korean Academy of Oral and Maxillofacial Radiology
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    • v.24 no.1
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    • pp.67-77
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    • 1994
  • The purpose of this study was to investigate the irradiatiion effects on the capillary and endothelial cell in the submandibular gland. Sprague-Dawley strain male rats were singly irradiated to their neck region with the dose of 5Gy by 6MV X-irradiation and sacrificed on the 6 hours, 12 hours, 1, 3, 7, and 14days after irradiation. The authors observed the histological changes of the capillary at H & E and PAS staining under a light microscope, and also observed the ultrastructural changes of the endothelial cell using a transmission electron microscope. The obtaining results were as follows: 1. In the light microscopic examination, the capillary density was slightly increased on the 1day after irradiation, and increased until the 7 days after irradiatiion. After then, capillary density was apparently decreased. 2. The reaction to PAS staining at acinar cells was decreased on the 6 hours after irradiation, and recovered on the 7days after irradiation. But reaction was decreased on the 14days after irradiation agan, after then, gradually recovered with days. 3. In the transmission electron microscopic examination, mild proliferation of cytoplasmic process of the endothelial cell and reduction in luminal size were observed just after irradiation. After then, nuclear degeneration, marked proliferation of cytoplasmic process, thickened basal lamina, and numerous cytoplasmic vesicles were observed on the 1day after irradiation. These changes were recovered to normal on the 14days after 5Gy group, but not with 10Gy irradiation group. And destruction of endothelial cell and loss of basal lamina were not observed in both groups. 4. From the above results, reduction in luminal size, proliferation of cytoplasmic process and thickening of basal lamina were observed as the irradiation effects on the capillary and endothelial cell of the submandibular gland. And also, these changes may induce increase in capillary number and endothelial permeability by means of increase of cytoplasmic vesicle formation. The changes appeared earlier and more prominent in 10Gy irradiated group than in 5Gy irradiated group.

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The study of evaluating surface characteristics and effect of thermal annealing process for AlN single crystal grown by PVT method (PVT법으로 성장된 AlN 단결정의 표면 특성 평가 및 고온 어닐링 공정의 효과에 대한 연구)

  • Kang, Hyo Sang;Kang, Suk Hyun;Park, Cheol Woo;Park, Jae Hwa;Kim, Hyun Mi;Lee, Jung Hun;Lee, Hee Ae;Lee, Joo Hyung;Kang, Seung Min;Shim, Kwang Bo
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.27 no.3
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    • pp.143-147
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    • 2017
  • To evaluate surface characteristics and improve crystalline quality of AlN single crystal grown by physical vapor transport (PVT) method, wet chemical etching process using $KOH/H_2O_2$ mixture in a low temperature condition and thermal annealing process was proceeded respectively. Conventional etching process using strong base etchant at a high temperature (above $300^{\circ}C$) had formed over etching phenomenon according to crystalline quality of materials. When it occurred to over etching phenomenon, it had a low reliability of dislocation density because it cannot show correct number of etch pits per estimated area. Therefore, it was proceeded to etching process in a low temperature (below $100^{\circ}C$) using $H_2O_2$ as an oxidizer in KOH aqueous solution and to be determined optimum etching condition and dislocation density via scanning electron microscope (SEM). For improving crystalline quality of AlN single crystal, thermal annealing process was proceeded. When compared with specimens as-prepared and as-annealed, full width at half maximum (FWHM) of the specimen as-annealed was decreased exponentially, and we analyzed the mechanism of this process via double crystal X-ray diffraction (DC-XRD).

Texture Evolution during Primary Recrystallization and Effect of Number of Cold Rolling Passes, Heating Rate, and Si Contents in Grain-Oriented Electrical Steel (방향성 전기강판에서 1차 재결정시 Si 함량과 냉간압연 횟수, 승온 속도에 따른 집합조직 발달)

  • Jeon, Soeng-Ho;Park, No Jin
    • Journal of the Korean Society for Heat Treatment
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    • v.31 no.6
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    • pp.269-274
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    • 2018
  • Grain-oriented electrical steel sheets are mainly used as core materials for transformers and motors. They should have excellent magnetic properties such as low core loss, high magnetic flux density and high permeability. In order to improve the magnetic properties of the electrical steel sheet, it is important to form Goss oriented grains with a very strong {110}<001> orientation. Recently, efforts have been made to develop Goss grains by controlling processes such as hot rolling, cold rolling, and primary and secondary recrystallization. In this study, the sheets containing 3.2 and 3.4wt.% Si were used, which were rolled with 1 and 10 passes with total thickness reduction of 89%. Heating was carried out for primary recrystallization with different heating rates of $25^{\circ}C/s$ and $24^{\circ}C/min$ until $720^{\circ}C$. The behavior of Goss-, {411}<148>-, and {111}<112>-oriented grains were analyzed using X-ray diffraction(XRD) and electron back-scatter diffraction(EBSD) analysis. The area fraction of Goss-oriented grains increased with the number of rolling passes during cold rolling; however, after the primary recrystallization, the area fraction of the Goss grains was higher and exact Goss grains were found in the specimens subjected to rapid heating after one rolling pass.

Effect of thermal-induced microcracks on the failure mechanism of rock specimens

  • Khodayar, Amin;Nejati, Hamid Reza
    • Computers and Concrete
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    • v.22 no.1
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    • pp.93-100
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    • 2018
  • It is seldom possible that geotechnical materials like rocks and concretes found without joints, cracks, or discontinuities. Thereby, the impact of micro-cracks on the mechanical properties of them is to be considered. In the present study, the effect of micro-crack on the failure mechanism of rock specimens under uniaxial compression was investigated experimentally. For this purpose, thermal stress was used to induce micro-cracks in the specimens. Several cylindrical and disk shape specimens were drilled from granite collected from Zanjan granite mine, Iran. Some of the prepared specimens were kept in room temperature and the others were heated by a laboratory furnace to different temperature levels (200, 400, 600, 800 and 1000 degree Celsius). During the experimental tests, Acoustic Emission (AE) sensors were used to monitor specimen failure at the different loading sequences. Also, Scanning Electron Microscope (SEM) was used to distinguish the induced micro-crack by heating in the specimens. The fractographic analysis revealed that the thin sections heated to $800^{\circ}C$ and $1000^{\circ}C$ contain some induced micro-fractures, but in the thin sections heated to $200^{\circ}C$, $400^{\circ}C$ and $600^{\circ}C$ have not been observed any micro-fracture. In the next, a comprehensive experimental investigation was made to evaluate mechanical properties of heated and unheated specimens. Results of experimental tests showed that induced micro-cracks significantly influence on the failure mode of specimens. The specimens kept at room temperature failed in the splitting mode, while the failure mode of specimens heated to $800^{\circ}C$ are shearing and the specimens heated to $1000^{\circ}C$ failed in the spalling mode. On the basis of AE monitoring, it is found that with increasing of the micro-crack density, the ratio of the number of shear cracks to the number of tensile cracks increases, under loading sequences.

APPLICATION OF A DUAL-ENERGY MONOCHROMATIC XRAY CT ALGORITHM TO POLYCHROMATIC X-RAY CT: A FEASIBILITY STUDY

  • Chang, S.;Lee, H.K.;Cho, G.
    • Nuclear Engineering and Technology
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    • v.44 no.1
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    • pp.61-70
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    • 2012
  • In this study, a simple post-reconstruction dual-energy computed tomography (CT) method is proposed. A dual-energy CT algorithm for monochromatic x-rays was adopted and applied to the dual-energy CT of polychromatic x-rays by assigning a representative mono-energy. The accuracy of algorithm implementation was tested with mathematical phantoms. To test the sensitivity of this algorithm to the inaccuracy of representative energy value in energy values, a simulation study was performed with mathematical phantom. To represent a polychromatic x-ray energy spectrum with a single-energy, mean energy and equivalent energy were used, and the results were compared. The feasibility of the proposed method was experimentally tested with two different micro-CTs and a test phantom made of polymethyl methacrylate (PMMA), water, and graphite. The dual-energy calculations were carried out with CT images of all possible energy pairs among 40, 50, 60, 70, and 80 kVp. The effective atomic number and the electron density values obtained from the proposed method were compared with theoretical values. The results showed that, except the errors in the effective atomic number of graphite, most of the errors were less than 10 % for both CT scanners, and for the combination of 60 kVp and 70 kVp, errors less than 6.0 % could be achieved with a Polaris 90 CT. The proposed method shows simplicity of calibration, demonstrating its practicality and feasibility for use with a general polychromatic CT.

Free Volume in Polyers Note II。: Positron Annihilation lifetime Spectroscopy and Applications

  • G. Consolati;M. Pegoraro;L. Zanderighi
    • Korean Membrane Journal
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    • v.1 no.1
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    • pp.25-37
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    • 1999
  • positron annihilation Lifetime Spectroscopy has been extensively applied in recent years to investigate the free volume in polymers owing to the capability of the electron-positron bound system (positronium) to probe the typical size of sub-nanometric cavities among the macromolecular chains. In this paper we show recent results obtained through this technique in some amorphous polymeric mem-branes(olyurethanes. PUs and polytrimethilsylilpropine PTMSP) after a brief survey of the general features of the annihilation process as well as of the experimental apparatus. Lifetime of o-ps decay({{{{ tau _3}}}}) in PUs increases going from sub {{{{ TAU _g}}}} to over {{{{ TAU _g}}}} temperatures following a sigmoid curve. The coefficient of dilatation of the free volume fraction is shown to be the sum of two contributes due to the variation with T of the number of holes and of their mean volume. PAL spectrum of PTMSP freshly prepared shows four lifetime components: {{{{ tau _3}}}} and {{{{ tau _4}}}}: only are useful for free volume study. Two kinds of holes of different equivalent radius are reported ({{{{ gamma _s}}}} 4.60 nm and {{{{ gamma _1}}}} 0.754) The equivalent volume does not change in a range of 100 K. however the physical aging increases density and decreases oxygen permeability while {{{{ gamma _s}}}} goes down to 0.374 and r1 to 0.735 The number of holes obtained from the intensities{{{{ IOTA _3}}}} and {{{{ IOTA _4}}}} of PAL spectra decreases with aging 21.7% and 3.5% for large and small holes respectively.

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Studies on the Fabrication and Characteristics of PHEMT for mm-wave (mm-wave용 전력 PHEMT제작 및 특성 연구)

  • Lee, Seong-Dae;Chae, Yeon-Sik;Yun, Gwan-Gi;Lee, Eung-Ho;Lee, Jin-Gu
    • Journal of the Institute of Electronics Engineers of Korea SD
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    • v.38 no.6
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    • pp.383-389
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    • 2001
  • We report on the design, fabrication, and characterization of 0.35${\mu}{\textrm}{m}$-gate AIGaAs/InGaAs PHEMTs for millimeter-wane applications. The epi-wafer structures were designed using ATLAS for optimum DC and AC characteristics, 0.351m-gate AIGaAs/rnGaAs PHEMTs having different gate widths and number of fingers were fabricated using electron beam lithography Dependence of RF characteristics of PHEMT on gate finger with and number of gate fingers have been investigated. PHEMT haying two 0.35$\times$60${\mu}{\textrm}{m}$$^2$ gate fingers showed the knee voltage, pinch-off voltage, drain saturation current density, and maximum transconductance of 1.2V, -1.5V, 275㎃/mm, and 260.17㎳/mm, respectively. The PHEMT showed fT(equation omitted)(current gain cut-off frequency) of 45㎓ and fmax(maximum oscillation frequency) of 100㎓. S$_{21}$ and MAG of the PHEMT were 3.6dB and 11.15dB, respectively, at 35㎓

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Ultrastructural Changes on the Secreting Cells of the Prothoracic Gland During the Larva-pupal Molt of Bombyx mori L. (누에나방(Bombyx mori L.) 종령유충일용 전환기(轉換期)의 전흉선(前胸腺) 분필세포(分泌細胞)의 미세구조적 변화)

  • Oh, S.J.;Kim, J.H.;Kim, C.W.;Kim, W.K.
    • Applied Microscopy
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    • v.12 no.2
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    • pp.69-79
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    • 1982
  • In order to define the morphological changes of the secreting cells of prothoracic gland during larva-pupal molt, ultrastructural observations were carried out using Bombyx mori L. as the experimental material. At first stage of present experiment, 4 day old 5th instar larva, the polyhedral secreting cells were centrally located in the prothoracic gland surrounded by the connective sheath. The secreting cells were attached to the neighboring cells by the prominent desmosomes, and the plasma membrane contacted with connective sheath were highly infolded. In cytoplasm, the most of the cell organelles, such as rod-like mitochondria, rough surfaced endoplasmic reticulum, ribosome were developed. As the stages advance from larva to pupa, general feature of the secreting cells were retained, but structural changes of the various cytoplasmic organelles-ribosome, rough surfaced endoplasmic reticulum, mitochondria, Golgi apparatus, lamellar body, and vesicle-were noted. In the perinuclear cytoplasm of the secreting cells at the stage of 6 day old 5th instar larva, it is peculiar that only a large amount of ribosomes were distributed and the other organelles were retreated from the juxtanuclear region. Just before and after spining cocoon, these features were more remarkable. Rough surfaced endoplasmic reticulum were gradually increased from the stage just before spining cocoon to the pharate pupa. Rod-like mitochondria with irregular cristae and the matrix showing low density were distributed throughout the cytoplasm in the secreting cells of the 4 day old 5th instar larva. Sometimes, longitudinally distended and curved mitochondria were observed. At the stage of pharate pupa, most of mitochondria were deformed. The rod-like mitochondria of the secreting cells of pupal prothoracic gland were narrower than those of 4 day old 5th instar larva, and the electron density of the mitochondrial matrix is increased in pupa. Golgi apparatus were a few in number in both stages, last instar larva and spining cocoon. In stages of the pharate pupa, the Golgi apparatus were frequently observed. Cytoplasmic vesicles were observed for the first time in the secreting cells of one day after spining cocoon, and the number and the size of cytoplasmic vesicles were distinctly increased inpharate pupa and just after pupation. In the secretory cells of the PG, it in concluded that the RER was closely related to syntheting the enzymes seem to produce the ecdysone.

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