• 제목/요약/키워드: Cubic structure

검색결과 648건 처리시간 0.031초

Mn-dimer 분자자성체의 전자구조 및 자기구조 계산 (Electronic and Magnetic Structure Calculations of Mn-dimer Molecular Magnet)

  • 박기택
    • 한국자기학회지
    • /
    • 제24권4호
    • /
    • pp.97-100
    • /
    • 2014
  • 분자자성체 Mn-dimer의 전기구조 및 자기적 성질을 제1원리의 범밀도함수법을 이용하여 계산하였다. 계산 된 결과, 전자구조는 벌크 MnO와 비슷한 Mn 주위의 4개의 산소 원자에 의해 $t_{2g}$, $e_g$ 에너지 준위로 분리되어 있었다. 적은 수의 배위원자로 이 결정장 분리는 작았디. 총에너지 계산에서는 반강자성적 상호작용이 낮은 에너지를 가지고 있었다. 계산 된 $Mn^{+2}$ 원자 사이의 교환상호작용 크기는 다른 Mn-O 분자자성체보다 한 단위 큰 값을 얻었다. 이 원인은 Mn 3d 사이의 직접 상호작용과 Mn-O의 강한 결합으로 인한 초교환상호작용의 결과이다.

급속응고된 Fe-6.5wt% Si 강판의 미세조직과 자기적 특성에 미치는 열처리의 영향 (Effect of Heat Treatment on Microstructures and Magnetic Properties of Rapidly Solidified Fe-6.5wt % Si sheet)

  • 황동하;이갑호;이태행;구자명
    • 열처리공학회지
    • /
    • 제8권2호
    • /
    • pp.149-154
    • /
    • 1995
  • The alloying of 6.5wt % Silicon in iron decreases the magnetization and the anisotropy and minimizes the iron loss noticeably. But it is very difficult to make thin sheets because of its poor ductility which is due to an ordering reaction (body centered cubic to CsCI type crystal structure). However the ordering reaction can be suppressed by rapid solidification method. The cooling rate of rapidly solidified Fe-6.5wt % Si alloy is about $10^3K/s$ and rapidly solidified structure are fine structure, cellular structure, dendrite and equiaxed grain from surface. The precipitates of $DO_3$ Phase emerges on $B_2$ matrix and the coercive force was 0.51 Oe (50cycle, 15KGauss) in Fe-6.5wt% Si alloy which was processed by heat treatment of $1150^{\circ}C$ for 1hr in high vacuum.

  • PDF

유도결합 플라즈마 파워가 VN 코팅막의 미세구조, 결정구조 및 기계적 특성에 미치는 영향에 관한 연구 (Effect of Inductively Coupled Plasma on the Microstructure, Structure and Mechanical Properties of VN Coatings)

  • 전성용;이소연
    • 한국표면공학회지
    • /
    • 제49권4호
    • /
    • pp.376-381
    • /
    • 2016
  • The effects of ICP (Inductively Coupled Plasma) power, ranging from 0 to 200 W, on the crystal structure, microstructure, surface roughness and mechanical properties of magnetron sputtered VN coatings were systematically investigated with FE-SEM, AFM, XRD and nanoindentation. The results show that ICP power has a significant influence on coating microstructure and mechanical properties of VN coatings. With the increasing of ICP power, coating microstructure evolves from a porous columnar structure to a highly dense one. Average crystal grain size of single phase cubic fcc VN coatings was decreased from 10.1 nm to 4.0 nm with increase of ICP power. The maximum hardness of 28.2 GPa was obtained for the coatings deposited at ICP power of 200 W. The smoothest surface morphology with Ra roughness of 1.7 nm was obtained from the VN coating sputtered at ICP power of 200 W.

Crystal Structure of a Cyclopropane Sorption Complex of Dehydrated Fully $Ca^{2+}$-Exchanged Zeolite X

  • 최은영;김양;송성환
    • Bulletin of the Korean Chemical Society
    • /
    • 제20권7호
    • /
    • pp.791-795
    • /
    • 1999
  • The crystal structure of a cyclopropane sorption complex of dehydrated fully Ca (2+) -exchanged zeolite X, Ca46Si100Al92O384· 30C3H6 (a = 24.988(4) Å), has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21(1)℃. The crystal was prepared by ion exchange in a flowing stream of 0.05M aqueous Ca(NO3)2 for four days, followed by dehydration at 460℃ and 2×10 (-6) Torr for two days, and exposure to 100 Torr of cyclopropane gas at 21(1)℃. The structure was determined in this atmosphere and refined to the final error indices R1 = 0.068 and R2 = 0.082, with 373 reflections for which I > 3σ (I). In this structure, Ca 2+ ions are located at two crystallographic sites. Sixteen Ca 2+ ions fill the octahedral sites I at the centers of the hexagonal prisms (Ca-O = 2.412(9)Å). The remaining 30 Ca 2+ ions are at sites Ⅱ; each extends 0.46Å into the supercage (an increase of 0.16Å upon C3H6 sorption) where it coordinates to three trigonally arranged framework oxygens at 2.311(8)Å. Each of the 30 cyclopropane molecules was found to complex to Ca 2+ ions at site II by the induced dipole interaction (Ca-C = 2.99(4)Å). All carbon atoms in each cyclopropane molecule are equivalent and equidistant from Ca 2+ ions at site II with which they are associated.

The Crystal Structure of Fully Dehydrated Fully $Ba^{2+}$-Exchanged Zeolite X

  • 장세복;김양
    • Bulletin of the Korean Chemical Society
    • /
    • 제16권3호
    • /
    • pp.248-251
    • /
    • 1995
  • The crystal structure of Ba46-X, Ba46Al92Si100O384 [a= 25.297(1) Å], has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd&bar{3}at 21(1) ℃. The crystal was prepared by ion exchange in flowing stream of 0.05 M Ba(OH)2 aqueous solution for 5 days. The crystal was then dehydrated at 380 ℃ and 2 × 10-6 Torr for 2 days. The structure was refined to the final error indices R1= 0.051 and Rw= 0.054 with 369 reflections for which I > 3σ(I). In this structure, all Ba2+ ions are located at the three different crystallographic sites: fourteen Ba2+ ions are located at site Ⅰ, the centers of the double six rings, two Ba2+ ions lie at site Ⅰ', in the sodalite cavity opposite double six rings(D6R's) and another thirty Ba2+ ions are located at site Ⅱ in the supercage. Two Ba2+ ions are recessed ca. 0.27 Å into the sodalite cavity from their three O(3) oxygen plane and thirty Ba2+ ions are recessed ca. 1.11 Å into the supercage from their three O(2) oxygen planes, respectively (Ba(1)-O(3) = 2.76(1) Å, O(3)-Ba(1)-O(3) = 180(0)°, Ba(2)-O(3) = 2.45(1) Å, O(3)-Ba(2)-O(3) = 108(1)°, Ba(3)-O(2)=2.65(1) Å, and O(2)-Ba(3)-O(2)=103.9(4)°).

A hybrid-separate strategy for force identification of the nonlinear structure under impact excitation

  • Jinsong Yang;Jie Liu;Jingsong Xie
    • Structural Engineering and Mechanics
    • /
    • 제85권1호
    • /
    • pp.119-133
    • /
    • 2023
  • Impact event is the key factor influencing the operational state of the mechanical equipment. Additionally, nonlinear factors existing in the complex mechanical equipment which are currently attracting more and more attention. Therefore, this paper proposes a novel hybrid-separate identification strategy to solve the force identification problem of the nonlinear structure under impact excitation. The 'hybrid' means that the identification strategy contains both l1-norm (sparse) and l2-norm regularization methods. The 'separate' means that the nonlinear response part only generated by nonlinear force needs to be separated from measured response. First, the state-of-the-art two-step iterative shrinkage/thresholding (TwIST) algorithm and sparse representation with the cubic B-spline function are developed to solve established normalized sparse regularization model to identify the accurate impact force and accurate peak value of the nonlinear force. Then, the identified impact force is substituted into the nonlinear response separation equation to obtain the nonlinear response part. Finally, a reduced transfer equation is established and solved by the classical Tikhonove regularization method to obtain the wave profile (variation trend) of the nonlinear force. Numerical and experimental identification results demonstrate that the novel hybrid-separate strategy can accurately and efficiently obtain the nonlinear force and impact force for the nonlinear structure.

중년여성을 위한 고부가가치 니트 조직 개발 (Development of a High Value Added Knit Structure for Middle-aged Women)

  • 이인숙;김지영
    • 패션비즈니스
    • /
    • 제18권2호
    • /
    • pp.148-165
    • /
    • 2014
  • The purpose of this study is to establish a theory about the necessary structure for knitwear design, and to propose it with the practical data through the actual development of a high value added knit structure. For this study, the market was conducted along with literature reviews on the existing studies and the relevant books about knit structures. The market research aimed at the products released in the spring/summer and fall/winter seasons of 2012-2013, focusing on brand for middle aged women. The utilization of the structure by item and the characteristics of knit design were studied. The research was conducted on S/S products in May and July, and F/W products in October and December. As a result of the market research, it was shown that the lightweight structures with permeability such as plain, lace, links and links, this is repeated and rib structure were frequently utilized during the S/S season, while double structures with good shape stability were greatly utilized during the F/W season. Also, during the F/W season, a cable structure and tubular jacquard that emphasized the volume or cubic effect were frequently used, and there were many jacquard structures where a change of color sense and motive were added. Concerning the knit structures development, the researcher designed the knit structure at the actual production site of the knit fashion. A total of 5 pieces of knit structures were developed by asking a professional for programming and knitting. To the developed structures, the study added a multi-gauged effect, herringbone transformation effect, 3-dimensional surface effect, color effects, geometric patterns, lace penetration effect, and soft surface effect in a water-drop shape. In addition, the structures had differences in the added values by mixing various structures and diversely expressing color sense on the knitting line. This study proposes the direction for 21st century knitwear product design, through the development of a high value added knit structure.

이트리아를 첨가한 저코니아의 합성과 결정구조 (Synthesis and Crystal Structure of Yttria-Stabilized Zirconia)

  • 김원사;서일환;박로학;김문집;김헌준;이창희;김용채;성백석;이정수;심해섭;김이경;이진호
    • 한국지구과학회지
    • /
    • 제18권6호
    • /
    • pp.553-558
    • /
    • 1997
  • 등축정계의 결정구조를 지니는 무색 투명한 저코니아($Zr_{0.73}Y_{0.27}O_{1.87}$) 결정을 $Y_2O_3$를 안정제로 사용하여 Bridgman-Stockbager법(또는 Skull 용융법)으로 합성하였다. 육성된 결정은 유리광택을 나타내며 동시에 약간의 지방 광택도 띤다. 저코니아 결정은 편광현미경하에서 등방성을 나타내며 이방성의 징후는 발견되지 않는다. 모스 경도는 $8{\sim}8\frac{1}{2}$이고 비중은 5.85이다. 자외선하에서는 약한 백색 형광을 낸다. 단결정법으로 결정한 저코니아의 결정구조는 등축정계이며, 공간군은 $Fm3m({O^5}_h)$이다. 단위포 상수(a)는 $5.1552(5){\AA}$이며, $V=136.99(5){\AA}$, Z=4, R=0.0488이다. 저코니움 원자는 각 모서리에 산소 원자가 자리잡고 있는 육면체의 중심에 위치하고 있으며, 각 산소 원자는 저코니움 원자로 되어 있는 사면체의 중심에 위치하고 있다. 결국 8:4의 배위수가 성립하는 구조를 하고 있다.

  • PDF

스퍼터링 방법으로 성장한 코발트크롬철망간니켈 고엔트로피 질산화물 박막의 구조특성 (Structural Characterization of CoCrFeMnNi High Entropy Alloy Oxynitride Thin Film Grown by Sputtering)

  • 이정국;홍순구
    • 한국재료학회지
    • /
    • 제28권10호
    • /
    • pp.595-600
    • /
    • 2018
  • This study investigates the microstructural properties of CoCrFeMnNi high entropy alloy (HEA) oxynitride thin film. The HEA oxynitride thin film is grown by the magnetron sputtering method using nitrogen and oxygen gases. The grown CoCrFeMnNi HEA film shows a microstructure with nanocrystalline regions of 5~20 nm in the amorphous region, which is confirmed by high-resolution transmission electron microscopy (HR-TEM). From the TEM electron diffraction pattern analysis crystal structure is determined to be a face centered cubic (FCC) structure with a lattice constant of 0.491 nm, which is larger than that of CoCrFeMnNi HEA. The HEA oxynitride film shows a single phase in which constituting elements are distributed homogeneously as confirmed by element mapping using a Cs-corrected scanning TEM (STEM). Mechanical properties of the CoCrFeMnNi HEA oxynitride thin film are addressed by a nano indentation method, and a hardness of 8.13 GPa and a Young's modulus of 157.3 GPa are obtained. The observed high hardness value is thought to be the result of hardening due to the nanocrystalline microstructure.

Characteristics of High Density U-Mo Alloy Powder Prepared by Centrifugal Atomization

  • Kim, Ki-Hwan;Ahn, Hyeon-Seok;Lee, Don-Bae;Park, Hee-Dae;Kim, Chang-Kyu;Baek, Kyeong-Wook
    • 한국원자력학회:학술대회논문집
    • /
    • 한국원자력학회 1996년도 춘계학술발표회논문집(3)
    • /
    • pp.213-218
    • /
    • 1996
  • Characteristics of high density U-Mo alloy powder prepared by centrifugal atomization have been examined. The results indicate that the majority of the atomized U-Mo alloy particles has a smooth surface and frequently near-perfect spheroidal shape with few satellites attached. The size distribution of atomized U-Mo alloy powder shows the mono-modal size distribution seen in ligament disintegration mechanism. All phases of atomized alloy powder below 150$\mu\textrm{m}$ irrespectively to particle size are found to be ${\gamma}$-U (cubic structure) phases with isotropic structure and not to be U$_2$Mo phase at all. The microstructure of atomized U-Mo alloy particulates has micro-crystalline structure with non-dendritic gram supersaturated with Mo element. Also the grain size of ${\gamma}$ -U tends to decrease with the decrease of the powder diameter.

  • PDF