• Title/Summary/Keyword: Spherical atoms

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Thermal Compatibility of High Density U-Mo Powder Fuels Prepared by Centrifugal Atomization

  • Kim, Ki-Hwan;Ahn, Hyun-Suk;Chang, Se-Jung;Ko, Young-Mo;Lee, Don-Bae;Kim, Chang-Kyu;Kuk, Il-Hyun
    • Proceedings of the Korean Nuclear Society Conference
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    • 1997.05b
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    • pp.165-170
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    • 1997
  • Samples of extruded dispersions of 24 vol.% spherical U-2wt%Mo and U-10wt.%Mo powders in an aluminum matrix were annealed for over 2,000 hours at 40$0^{\circ}C$. No significant dimensional changes occurred in the U-1025.%Mo/aluminum dispersions. The U-2wt.%Mo/aluminum dispersion, however, increased in volume by 26% after 2,000 hours at 40$0^{\circ}C$. This large volume change is mainly due to the formation of voids and cracks resulting from nearly complete interdiffusion of U-Mo and aluminum. Interdiffusion between U-10wt.%Mo and aluminum was found to be minimal. The different diffusion behavior is primarily due to the fact that U-2wt.%Mo decomposes from an as-atomized metastable r-phase(bcc) solid solution into the equilibrium r-U and U$_2$Mo two-phase structure during the experiment, whereas U-10wt.%Mo retains the metastable r-phase structure after the 2,000 hours anneal and thereby displays superior thermal compatibility with aluminum compared to U-2wt.%Mo. In addition, the molybdenium supersaturated in U-10wt.%Mo particles inhibits the diffusion of aluminum atoms along the grain boundary into the particle. Also, the dissolution of only a few Mo atoms in UAL$_3$ retards the formation of the intermediate phase, as Mo atoms need to migrate from new intermetallic compounds to unreacted islands.

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Diffusion-accompanied Phase Transformation of $TiSi_2$ Film Confined in Sub-micron Area

  • Kim, Yeong-Cheol
    • The Korean Journal of Ceramics
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    • v.7 no.2
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    • pp.70-73
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    • 2001
  • Phase transformation of TiSi$_2$ confined in sub-micron area of which the size is around or smaller than the grain size of C49 TiSi$_2$ phase is studied. It has been known that the C49 to C54 phase change is massive transformation that occurs abruptly starting from C54 nuclei located at triple point grain boundaries of C49 phase. When the C49 phase is confined in sub-micron area, however, the massive phase transformation is observed to be hindered due to the lack of the triple point grain boundaries of C49 phase. Heat treatment at higher temperatures starts to decompose the C49 phase, and the resulting decomposed Ti atoms diffuse to, and react with, the underneath Si material to form C54 phase that exhibits spherical interface with silicon. The newly formed C54 grains can also trigger the massive phase transformation to convert the remaining undecomposed C49 grains to C54 grains by serving as nuclei like conventional C54 nuclei located at triple point grain boundaries.

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Crystallopraphic Growth Orientation of Polycrystalline HSG Silicon Film (반구형 다결정 실리콘 박막의 결정학적 성장방위)

  • Sin, Dong-Won;Park, Chan-Ro;Park, Chan-Gyeong;Kim, Jong-Cheol
    • Korean Journal of Materials Research
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    • v.4 no.7
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    • pp.750-758
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    • 1994
  • The purpose of present study is to find out the formation mechanism of hemi-spherical grained(HSG) polysilicon film. Silicon film was deposited using LPCVD. Polycrystalline silicon film was deposited at $575^{\circ}C$ contained crystalline HSG in the amorphous matrix phase. The crystalline HSG can be categorized into two grains : lower grains and upper grains. Lower grains are located at interface between silicon dioxide and silicon film, and upper grains are located at surface. The growth orientations of HSG were identified as (311) or (111) directions for lower grains and perferentially (110) direction for upper grains. This difference of growth orientations seems to be caused by the difference of formation mechanisms. That is, lower grain is formed by soild phase crystallization, on the other hand, upper grain is formed by surface diffusion of silicon atoms. It was thus, proposed that the formation of practical HSG polysilicon film is mainly controlled by surface diffusion of silicon atoms.

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Hydrogen-bonded clusters in transformed Lewis acid to new Brønsted acid over WOx/SiO2 catalyst

  • Boonpai, Sirawat;Wannakao, Sippakorn;Panpranot, Joongjai;Praserthdam, Supareak;Chirawatkul, Prae;Praserthdam, Piyasan
    • Advances in nano research
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    • v.12 no.3
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    • pp.291-300
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    • 2022
  • The behavior of hydrogen species on the surface of the catalyst during the Lewis acid transformation to form Brønsted acid sites over the spherical silica-supported WOx catalyst was investigated. To understand the structure-activity relationship of Lewis acid transformation and hydrogen bonding interactions, we explore the potential of using the in situ diffuse reflection infrared Fourier transform spectroscopy (DRIFTS) with adsorbed ammonia and hydrogen exposure. From the results of in situ DRIFTS measurements, Lewis acid sites on surface catalysts were transformed into new Brønsted acid sites upon hydrogen exposure. The adsorbed NH3 on Lewis acid sites migrated to Brønsted acid sites forming NH4+. The results show that the dissociated H atoms present on the catalyst surface formed new Si-OH hydroxyl species - the new Brønsted acid site. Besides, the isolated Si-O-W species is the key towards H-bond and Si-OH formation. Additionally, the H atoms adsorbed surrounding the Si-O-W species of mono-oxo O=WO4 and di-oxo (O=)2WO2 species, where the Si-O-W species are the main species presented on the Inc-SSP catalysts than that of the IWI-SSP catalysts.

Tailoring the properties of spray deposited V2O5 thin films using swift heavy ion beam irradiation

  • Rathika, R.;Kovendhan, M.;Joseph, D. Paul;Pachaiappan, Rekha;Kumar, A. Sendil;Vijayarangamuthu, K.;Venkateswaran, C.;Asokan, K.;Jeyakumar, S. Johnson
    • Nuclear Engineering and Technology
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    • v.52 no.11
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    • pp.2585-2593
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    • 2020
  • Swift heavy ion (SHI) beam irradiation can generate desirable defects in materials by transferring sufficient energy to the lattice that favours huge possibilities in tailoring of materials. The effect of Ag15+ ion irradiation with energy 200 MeV on spray deposited V2O5 thin films of thickness 253 nm is studied at various ion doses from 5 × 1011 to 1 × 1013 ions/㎠. The XRD results of pristine film confirmed orthorhombic structure of V2O5 and its average crystallite size was found to be 20 nm. The peak at 394 cm-1 in Raman spectra confirmed O-V-O bonding of V2O5, whereas 917 cm-1 arise because of distortion in stoichiometry by a loss of oxygen atoms. Raman peaks vanished completely above the ion fluence of 5 × 1012 ions/㎠. Optical studies by UV-Vis spectroscopy shows decrement in transmittance with an increase in ion fluence up to 5 × 1012 ions/㎠. The red shift is observed both in the direct and indirect band gaps until 5 × 1012 ions/㎠. The surface topography of the pristine film revealed sheath like structure with randomly distributed spherical nano-particles. The roughness of film decreased and the density of spherical nanoparticles increased upon irradiation. Irradiation improved the conductivity significantly for fluence 5 × 1011 ions/㎠ due to band gap reduction and grain growth.

Theoretical and quantitative structural relationships of the electrochemical properties of Cis-unsaturated thiocrown ethers and n-type material bulk-heterojunction polymer solar cells as supramolecular complexes [X-UT-Y]@R (R = PCBM, p-EHO-PCBM, and p-EHO-PCBA)

  • Taherpour, Avat Arman;Biuki, Farzaneh
    • Journal of Information Display
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    • v.12 no.3
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    • pp.145-152
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    • 2011
  • Since the discovery of fullerenes as a class of nanostructure compounds, many potential applications have been suggested for their unusual structures and properties. The isolated pentagon rule (IPR) states that all pentagonal carbon rings are isolated in the most stable fullerene. Fullerenes $C_n$ are a class of spherical carbon allotrope group with unique properties. Electron transfer between fullerenes and other molecules is thought to involve the transfer of electrons between the molecules surrounding the fullerene cage. One class of electron transfer molecules is the methanofullerene derivatives ([6,6]-phenyl $C_{61}$-butyric acid methyl ester (PCBM), 4-(2-ethylhexyloxy)-[6,6]-phenyl $C_{61}$-butyric acid methyl ester (p-EHO-PCBM), and 4-(2-ethylhexyloxy)-[6,6]-phenyl $C_{61}$-butyric acid (p-EHO-PCBA), 10-12). It has been determined that $C_{60}$ does not obey IPR. Supramolecular complexes 1-9 and 10-12 are shown to possess a previously unreported host.guest interaction for electron transfer processes. The unsaturated, cis-geometry, thiocrown ethers, (1-9) (described as [X-UT-Y], where X and Y indicate the numbers of carbon and sulfur atoms, respectively), are a group of crown ethers that display interesting physiochemical properties in the light of their conformational restriction compared with a corresponding saturated system, as well as the sizes of their cavities. Topological indices have been successfully used to construct mathematical methods that relate structural data to various chemical and physical properties. To establish a good relationship between the structures of 1-9 with 10-12, a new index is introduced, ${\mu}_{cs}$. This index is the ratio of the sum of the number of carbon atoms ($n_c$) and the number of sulfur atoms ($n_s$) to the product of these two numbers for 1-9. In this study, the relationships between this index and oxidation potential ($^{ox}E_1$) of 1-9, as well as the first to third free energies of electron transfer (${\Delta}G_{et(n)}$, for n = 1-3, which is given by the Rehm-Weller equation) between 1-9 and PCBM, p-EHO-PCBM, and p-EHO-PCBA (10-12) as [X-UT-Y]@R(where R is the adduct PCBM, p-EHO-PCBM, and p-EHO-PCBA group) (13-15) supramolecular complexes are presented and investigated.

Two Algorithms for Constructing the Voronoi Diagram for 3D Spheres and Applications to Protein Structure Analysis (삼차원 구의 보로노이 다이어그램 계산을 위한 두 가지 알고리듬 및 단백질구조채석에의 응용)

  • Kim D.;Choi Y.;Kim D.S.
    • Korean Journal of Computational Design and Engineering
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    • v.11 no.2
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    • pp.97-106
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    • 2006
  • Voronoi diagrams have been known for numerous important applications in science and engineering including CAD/CAM. Especially, the Voronoi diagram for 3D spheres has been known as very useful tool to analyze spatial structural properties of molecules or materials modeled by a set of spherical atoms. In this paper, we present two algorithms, the edge-tracing algorithm and the region-expansion algorithm, for constructing the Voronoi diagram of 3D spheres and applications to protein structure analysis. The basic scheme of the edge-tracing algorithm is to follow Voronoi edges until the construction is completed in O(mn) time in the worst-case, where m and n are the numbers of edges and spheres, respectively. On the other hand, the region-expansion algorithm constructs the desired Voronoi diagram by expanding Voronoi regions for one sphere after another via a series of topology operations, starting from the ordinary Voronoi diagram for the centers of spheres. It turns out that the region-expansion algorithm also has the worst-case time complexity of O(mn). The Voronoi diagram for 3D spheres can play key roles in various analyses of protein structures such as the pocket recognition, molecular surface construction, and protein-protein interaction interface construction.

THE EFFECTS OF PLANETARY ROTATION ON THE EXOSPHERIC DENSITY DISTRIBUTIONS OF THE EARTH AND MARS

  • KIM YONG HA;SON SUJEONG
    • Journal of The Korean Astronomical Society
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    • v.33 no.2
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    • pp.127-135
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    • 2000
  • We investigate the effects of planetary rotation on the exospheres of the earth and Mars with simple collisionless models. We develope a numerical code that computes exospheric densities by integrating velocity functions at the exobase with a 10 point Gauss method. It is assumed in the model that atoms above the exobase altitude move collisionlessly on an orbit under the planet's gravity. Temperatures and densities at the exobase over the globe are adopted from MSIS-86 for the earth and from Bougher et al's MTGCM for Mars. For both the earth and Mars, the rotation affects the exospheric density distribution significantly in two ways: (1) the variation of the exospheric density distribution is shifted toward the rotational direction with respect to the variation at the exobase, (2) the exospheric densities in general increase over the non-rotating case. We find that the rotational effects are more significant for lower thermospheric temperatures. Both the enhancement of densities and shift of the exospheric distribution due to rotation have not been considered in previous models of Martian exosphere. Our non-spherical distribution with the rotational effects should contribute to refining the hot oxygen corona models of Mars which so far assume simple geometry. Our model will also help in analyzing exospheric data to be measured by the upcoming Nozomi mission to Mars.

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Sintering and Consolidation of Silver Nanoparticles Printed on Polyimide Substrate Films

  • Yoon, Sang-Hwa;Lee, Jun-Ho;Lee, Pyoung-Chan;Nam, Jae-Do;Jung, Hyun-Chul;Oh, Yong-Soo;Kim, Tae-Sung;Lee, Young-Kwan
    • Macromolecular Research
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    • v.17 no.8
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    • pp.568-574
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    • 2009
  • We investigated the sintering and consolidation phenomena of silver nanoparticles under various thermal treatment conditions when they were patterned by a contact printing technique on polyimide substrate films. The sintering of metastable silver nanoparticles commenced at 180 $^{\circ}C$, where the point necks were formed at the contact points of the nanoparticles to reduce the overall surface area and the overall surface energy. As the temperature was increased up to 250 $^{\circ}C$, silver atoms diffused from the grain boundaries at the intersections and continued to deposit on the interior surface of the pores, thereby filling up the remaining space. When the consolidation temperature exceeded 270 $^{\circ}C$, the capillary force between the spherical silver particles and polyimide flat surface induced the permanent deformation of the polyimide films, leaving crater-shaped indentation marks. The bonding force between the patterned silver metal and polyimide substrate was greatly increased by the heat treatment temperature and the mechanical interlocking by the metal particle indentation.

a-C:H Films Deposited in the Plasma of Surface Spark Discharge at Atmospheric Pressure. Part I: Experimental Investigation

  • Chun, Hui-Gon;K.V. Oskomov;N.S. Sochungov;Lee, Jing-Hyuk;You, Yong-Zoo
    • Journal of the Korean institute of surface engineering
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    • v.36 no.5
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    • pp.357-363
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    • 2003
  • The aim of this work is the synthesis of a-C:H films from methane gas using surface spark discharge at the atmospheric pressure. Properties of these films have been investigated as functions of energy W delivered per a methane molecule in the discharge. The method enables the coatings to be deposited with high growth rates (up to $100 \mu\textrm{m}$/hour) onto large-area substrates. It is shown that the films consist of spherical granules with diameter of 20∼50 nm formed in the spark channel and then deposited onto the substrate. The best film characteristics such as minimum hydrogen-to-carbon atoms ratio H/C=0.69, maximum hardness $H_{v}$ =3 ㎬, the most dense packing of the granules and highest scratch resistance has been obtained under the condition of highest energy W of 40 eV. The deposited a-C:H coatings were found to be more soft and hydrogenated compared to the diamond-like hydrogenated (a-C:H) films which obtained by traditional plasmaenhanced chemical vapor deposition methods at low pressure (<10 Torr). Nevertheless, these coatings can be potentially used for scratch protection of soft plastic materials since they are of an order harder than plastics but still transparent (the absorption coefficient is about $10^4$$10^{5}$ $m^{-1}$ At the same time the proposed method for fast deposition of a-C:H films makes this process less expensive compared to the conventional techniques. This advantage can widen the application field of. these films substantially.y.