• Title/Summary/Keyword: Beta crystal

Search Result 452, Processing Time 0.02 seconds

Structural properties of β-Fe2O3 nanorods under compression and torsion: Molecular dynamics simulations

  • Kilic, Mehmet Emin;Alaei, Sholeh
    • Current Applied Physics
    • /
    • v.18 no.11
    • /
    • pp.1352-1358
    • /
    • 2018
  • In recent years, one-dimensional (1D) magnetic nanostructures, such as magnetic nanorods and chains of magnetic nanoparticles have received great attentions due to the breadth of applications. Especially, magnetic nanorods has been opened an area of active research and applications in medicine, sensors, optofluidics, magnetic swimming, and microrheology since they possess the unique magnetic and geometric features. This study focuses on the molecular dynamics (MD) simulations of an infinitely long crystal ${\beta}-Fe_2O_3$ nanorod. To elucidate the structural properties and dynamics behavior of ${\beta}-Fe_2O_3$ nanorods, MD simulation is a powerful technique. The structural properties such as equation of state and radial distribution function of bulk ${\beta}-Fe_2O_3$ are performed by lattice dynamics (LD) simulations. In this work, we consider three main mechanisms affecting on deformation characteristics of a ${\beta}-Fe_2O_3$ nanorod: 1) temperature, 2) the rate of mechanical compression, and 3) the rate of mechanical torsion.

Characterization of Crystal Proteins of Bacillus thuringiensis NT0423 Isolate from Korean Sericultural Farms

  • Kim, Ho-San;Li, Ming-Shun;Roh, Jong-Yul
    • International Journal of Industrial Entomology and Biomaterials
    • /
    • v.1 no.2
    • /
    • pp.115-122
    • /
    • 2000
  • A Bacillus thuringiensis designated NT0423, belonging to B. thuringiensis subsp. aizawai (H 7), was isolated from samples of dust and soil of sericultural farms. B. thuringiensis NT0423 having dualspecificity against Lepidoptera and Diptera produced bipyramidal inclusions consisting of two major polypeptides of approximately 130- and 70-kDa. Proteolytic processing by trypsin and gut juice of Bombyx mori yielded predominant proteins with molecular masses of about 66-kDa. The whole crystal protein of B. thuringiensis NT0423 immunologically was related to that of B. thuringiensis subsp. aizawai. PCR analysis showed that B. thuringiensis NT0423 has at least five crystal protein genes including cryIA(a), cryIA(b), cryIC, cryID and cryIIA, and southern blot was determined the location of each gene on intact and enzyme-digested plasmid DNA fragments. Except for cryIA(a) gene on the high molecular weight plasmid of 165-kb, all of four genes were located on the plasmid of 66-kb. The production of $\beta$-exotoxin from B. thuringiensis NT0423 was identified by the HPLC analysis. In addition, the $\beta$-exotoxin showed its ability to prevent pupation of treated larvae of house flies (Musca domestica) from developing into normal adults.

  • PDF

A preparation of hexacelsian powder by solution-polymerization route and its phase transformation behavior (Solution- polymerization 방법에 의한 hexacelsian 분말의 합성 및 상전이 공정에 의한 celsian 소결체의 제조)

  • Sang-Jin Lee;Young-Soo Yoon
    • Journal of the Korean Crystal Growth and Crystal Technology
    • /
    • v.7 no.3
    • /
    • pp.428-436
    • /
    • 1997
  • Hexacelsian ($BaO{\cdot}Al_2O_3{\cdot}2SiO_2$) powder was prepared by a solution-polymerization route employing PVA solution as a polymeric carrier. A fine amorphous-type hexacelsian powder with an average particle size of 0.8 $\mu \textrm{m}$ and a BET specific surface area of $63 \textrm{m}^2$/g was made by a ball-milling the powder precursor for 12 h after calcination at $800^{\circ}C$ for :1 h. A densified hexacelsian was obtained through sintering at $1550^{\circ}C$ for 2 h under an air atmosphere. The $\alpha\longleftrightarrow\beta$ and $\beta\longleftrightarrow\gamma$ displacive phase transformation in polycrystalline hexacelsia,n was examined by using dilatometry and differential scanning calorimtry. The reconstructive transformation between hexacelsian and celsian was obtained by annealing at $1600^{\circ}C$ for 72h. Volume contraction of 5.6% was accompanied by the reconstructive transformation.

  • PDF

Changes of discharge voltage of plate-type sodium sulfur batteries in the early charge/discharge cycles (평판형 나트륨 유황 전지의 초기 충방전시 방전전압 변화)

  • Kim, Seong-In;Kim, Heon-Tae;Choi, Hee-Lack;Lim, San-Su-Dae;Yang, Kee-Deok;Beum, Jin-Hyung;Kim, Chang-Sam
    • Journal of the Korean Crystal Growth and Crystal Technology
    • /
    • v.24 no.4
    • /
    • pp.164-168
    • /
    • 2014
  • The sodium-sulfur batteries which operate at $350^{\circ}C$ have been mainly used in the field of energy storage system. This batteries consist of liquid sodium anode, sulfur cathode and ${\beta}^{{\prime}{\prime}}$-alumina solid electrolyte. The conditioning process for stabilization of the batteries is essential since the cells show considerable fluctuation of discharge voltage at the beginning of discharge/charge cycles. It is found that one of the reasons of the fluctuation is the gradual change of contact area between molten sodium and solid electrolyte.

Schottky Barrier Diode Fabricated on Single Crystal β-Ga2O3 Semiconductor (단결정 β-Ga2O3 반도체를 이용한 쇼트키 배리어 다이오드 제작)

  • Kim, Hyun-Seop;Jo, Min-Gi;Cha, Ho-Young
    • Journal of the Institute of Electronics and Information Engineers
    • /
    • v.54 no.1
    • /
    • pp.21-25
    • /
    • 2017
  • In this study, we have fabricated Schottky barrier diodes (SBD) on single-crystal ${\beta}-Ga_2O_3$ semiconductor that has received much attention for use in next-generation power devices. The SBD had a Pt/Ti/Au Schottky contact on a $2{\mu}m$ Sn-doped low concentration N-type epitaxial layer. The fabricated device exhibited a breakdown voltage of > 180 V, a specific on-resistance of $1.26m{\Omega}{\cdot}cm^2$, and forward current densities of $77A/cm^2$ at 1 V and $473A/cm^2$ at 1.5 V, which proved the potential for use in power device fabrication.

Synthesis and bioactivity evaluation of metal ion-substitution biphasic calcium phosphate for bone defect reconstruction (골결손부 재건을 위한 금속 이온 치환 이상인산칼슘 합성 및 생체 활성 평가)

  • Kim, Tae-Wan;Kim, Dong-Hyun;Jin, Hyeong-Ho;Lee, Seung Ho;Park, Hong-Chae;Yoon, Seog-Young
    • Journal of the Korean Crystal Growth and Crystal Technology
    • /
    • v.22 no.6
    • /
    • pp.279-285
    • /
    • 2012
  • The co-precipitation technique has been applied to synthesize Biphasic Calcium Phosphate (BCP), Mg-BCP and Si-BCP. X-ray diffraction (XRD) and Fourier transformed infrared (FTIR) spectroscopy were used to characterize the structure of synthesized BCP, Mg-BCP and Si-BCP powders. The results have shown that BCP and substitution of magnesium and silicon in the calcium deficient apatites revealed the formation of biphasic mixtures of Hydroxyapatite (HAp)/${\beta}$-Tricalcium phosphate (${\beta}$-TCP) ratios after heating at $1000^{\circ}C$. Ionic substituted BCP is able to develop a new apatite phase on the surface in contact with physiological fluids faster than BCP does. An MTT assay indicated that BCP, Mg-BCP, and Si-BCP powders had no cytotoxic effects on MG-63 cells, and that they have good biocompatibility.

The Geometrical Isomerization on Acidification in Hexamolybdoheteropoly Oxometalate. The Crystal Structure of $(NH_{4})_{4.5}[H_{3.5}\alpha-PtMo_{6}O_{24}].\;1.5H_{2}O,\;(NH_{4})_{4}[H_{4}\beta-PtMo_{6}O_{24}].\;1.5H_{2}O,\;and\;K_{3.5}[H_{4.5}\alpha-PtMo_{6}O_{24}].\;3H_{2}O$

  • Lee, Uk;Yukiyoshi Sasaki
    • Bulletin of the Korean Chemical Society
    • /
    • v.15 no.1
    • /
    • pp.37-45
    • /
    • 1994
  • $(NH_4)_{4.5}[H_{3.5}{\alpha}-PtMo_6O_{24}]{\cdot}1.5\;H_2O(A),\;(NH_4)_4[H_4{\beta}-PtMo_6O_{24}]{\cdot}1.5\;H_2O(B),\;and\;K_{3.5}[H_{4.5}{\alpha}-PtMo_6O_{24}]{\cdot}3\;H_2O(C)$ have been synthesized and their molecular structures have been also determined by single-crystal X-ray diffraction technique. The space groups, unit cell parameters, and R factors are as follows: Compound A, monoclinic, $A_{2/a}$, a= 19.074 (3), b=21.490 (3), c=15.183 (2) ${\AA};\;{\beta}$=109.67 (1) ${\AA}$; z=8; R=0.075($IF_0I>4{\sigma}(IF_0I);$ Compound B, triclinic, P$bar{1}$, a=10.776 (2), b=15.174 (4), c=10.697 (3) ${\AA};\;{\alpha}$ =126.29 (2), ${\beta}$=111.55 (2), ${\gamma}$=93.18 (2) ${\AA}$; Z=2; R=0.046($IF_0I>3{\sigma}(IF_0I);$): Compound C, triclinic, Pl, a=12.426 (2), b=13.884 (2), c=10.089 (1) ${\AA}$; ${\alpha}$=102.59 (2), ${\beta}$=110.73 (1), ${\gamma}$=53.93 (1) ${\AA}$; Z=2; R=0.074 ($IF_0I>3{\sigma}(IF_0I)$. Compounds A and C contain the well-known Anderson structure (planar structure) heteropoly oxometalate having approximate $bar{3}_m(D_{3d})$ symmetry, while compound B contains the bent structure heteropoly oxometalate having appproximate $2_{mm}(C2_v)$ symmetry. The bent structure and the planar one are geometrical isomers. These compounds are rot only novel heteroply molybdates containing platinate(IV) but also the first example of geometrical isomerism in the hexamolybdoheteropoly oxometalates. That isomerization surprisingly occurred because of the change of only 0.5 non-acidic hydrogen atom attached to the polyanion such as $[H_{3.5}{\alpha} -PtMo_6O_{24}]^{4.5-}{\to}[H_4{\beta}-PtMo_6O_{24}]^{4-}{\to}[H_{4.5}{\alpha} -PtMo_6O_{24}]^{3.5-}$. It seems that the gradual protonation of the polyanion plays an important role in that isomerism. These heteropolyanions form dimers by strong hydrogen bonds between two heteropolyanions in the respective crystal system.

The crystallization behaviours of cordierite gel derived from sil-gel method and glass prepared by the conventional melting method. (용융법과 졸겔법으로 제조된 Cordierite 계 유리와 겔의 결정화 거동)

  • Park, Won-Gyu
    • The Journal of Engineering Research
    • /
    • v.1 no.1
    • /
    • pp.15-22
    • /
    • 1997
  • The crystallization behaviours of cordierite gel derived from sol-gel method and glass prepared from conventional melting method with or without $TiO_2$ as nucleants are compared. The densification temperature of gel is $810^{\circ}C$ and its chemical structure identified by IR analysis is same as that of glass melted by conventional method. The beginning crystallization temperature of gel is $965^{\circ}C$ lower than that of melted glass with 10wt% $TiO_2$, which is $978^{\circ}C$. The crystalline phases developed from gel during heat treatment are identified as spinel, $\beta$-quartz solid solution and $\alpha$-cordierite crystal and crystalline phases in case of glass are (Mg,Al)TiOn and $\beta$-quartz solid solution and $\alpha$-cordierite crystal, respectively. The crystallization in melted glass with nucleants occurs through bulk crystallization and in case of that without nucleants surface crystallization occurs, while the crystallization in gel is internal crystallization from interface between particles formed after densification.

  • PDF

Disordered Crystal Structure of Diflunisal $(C_{13}H_{8}F_{2}O_{3})$ (디플루니살의 불균일 결정구조)

  • Kim, Yang-Bae;Park, Il-Yeong
    • Journal of Pharmaceutical Investigation
    • /
    • v.26 no.1
    • /
    • pp.55-59
    • /
    • 1996
  • The crystal structure of diflunisal, 2',4'-difluoro-4-hydroxy-3-biphenyl-carboxylic acid, was determined by single crystal X-ray diffraction technique. The compound was recrystallized from a mixture of acetone and water in monoclinic, space group C2/c, with $a\;=\;34.666(6),\;b\;=\;3.743(1),\;c\;=\;20.737(4)\;{\AA},\;{\beta}=\;110.57(2)^{\circ}$, and Z = 8. The calculated density is $1.324\;g/cm^3$. The structure was solved by the direct method and refined by full matrix least-squares procedure to the final R value of 0.045 for 1299 observed reflections. It was found that the molecules in the crystal are partially disordered, that is, the two equivalent conformers $(180^{\circ}$ rotated ones through C(1)-C(7)) are packed alternatively without regular symmetry or sequence. The two phenyl rings of the biphenyl group is tilted to each other by the dihedral angle of $43.3^{\circ}$. The carboxyl group at the salicylic moiety is just coplanar to the phenyl ring, and the planarity of this salicylic moiety is stabilized by an intramolecular hydrogen bond of O(3)-H(O3) O(2). The molecules are dimerized through the intermolecular hydrogen bonds at the carboxyl group in the crystal.

  • PDF