• 제목/요약/키워드: Energy band structure

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Investigating spurious cracking in finite element models for concrete fracture

  • Gustavo Luz Xavier da Costa;Carlos Alberto Caldeira Brant;Magno Teixeira Mota;Rodolfo Giacomim Mendes de Andrade;Eduardo de Moraes Rego Fairbairn;Pierre Rossi
    • Computers and Concrete
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    • 제31권2호
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    • pp.151-161
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    • 2023
  • This paper presents an investigation of variables that cause spurious cracking in numerical modeling of concrete fracture. Spurious cracks appear due to the approximate nature of numerical modeling. They overestimate the dissipated energy, leading to divergent results with mesh refinement. This paper is limited to quasi-static loading regime, homogeneous models, cracking as the only nonlinear mode of deformation and cracking only due to tensile loading. Under these conditions, some variables that can be related to spurious cracking are: mesh alignment, ductility, crack band width, structure size, mesh refinement and load increment size. Case studies illustrate the effect of each variable and convergence analyses demonstrate that, after all, load-increment size is the most important variable. Theoretically, a sufficiently small load increment is able to eliminate or at least alleviate the detrimental influence of the other variables. Such load-increment size might be prohibitively small, rendering the simulation unfeasible. Hence, this paper proposes two alternatives. First, it is proposed an algorithm that automatically find such small load increment size automatically, which not necessarily avoid large computations. Then, it is proposed a double simulation technique, in which the crack is forced to propagate through the localization zone.

태양전지용 $CuGaSe_2$ 단결정 박막 성장과 열처리 효과 (The Effect of Thermal Annealing and Growth of $CuGaSe_2$ Single Crystal Thin Film for Solar Cell Application)

  • 홍광준;유상하
    • 한국태양에너지학회 논문집
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    • 제23권2호
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    • pp.59-70
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    • 2003
  • A stoichiometric mixture of evaporating materials for $CuGaSe_2$ single crystal thin films was prepared from horizontal electric furnace. Using extrapolation method of X-ray diffraction patterns for the polycrystal $CuGaSe_2$, it was found tetragonal structure whose lattice constant $a_0$ and $c_0$ were $5.615{\AA}$ and $11.025{\AA}$, respectively. To obtain the single crystal thin films, $CuGaSe_2$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the hot wall epitaxy (HWE) system. The source and substrate temperatures were $610^{\circ}C$ and $450^{\circ}C$, respectively. The crystalline structure of the single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of $CuGaSe_2$ single crystal thin films measured with Hall effect by van der Pauw method are $5.01\times10^{17}cm^{-3}$ and $245cm^2/V{\cdot}s$ at 293K. respectively. The temperature dependence of the energy band gap of the $CuGaSe_2$ obtained from the absorption spectra was well described by the Varshni's relation, $E_g$(T)=1.7998 eV-($8.7489\times10^{-4}$ eV/K)$T^2$/(T+335K). After the as-grown $CuGaSe_2$ single crystal thin films was annealed in Cu-, Se-, and Ga-atmospheres, the origin of point defects of $CuGaSe_2$ single crystal thin films has been investigated by the photoluminescence(PL) at 10 K. The native defects of $V_{CU},\;V_{Se},\;Cu_{int}$ and $Se_{int}$ obtained by PL measurements were classified as a donors or acceptors type. And we concluded that the heat-treatment in the Cu-atmosphere converted $CuGaSe_2$ single crystal thin films to an optical n-type. Also, we confirmed that Ga in $CuGaSe_2$/GaAs did not form the native defects because Ga in $CuGaSe_2$ single crystal thin films existed in the form of stable bonds.

Comparison of the Binding Modes of [Ru(2,2'-bipyridine)3]2+ and [Ru(2,2':6',2"-terpyridine)2]2+ to Native DNA

  • Jang, Yoon-Jung;Lee, Hyun-Mee;Jang, Kyeung-Joo;Lee, Jae-Cheol;Kim, Seog-K.;Cho, Tae-Sub
    • Bulletin of the Korean Chemical Society
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    • 제31권5호
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    • pp.1314-1318
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    • 2010
  • The $[Ru(tpy)_2]Cl_2$ (tpy:2,2':6',2"-terpyridine) complex was synthesized and its structure was confirmed by $^1H$-NMR and elemental analysis. Its binding mode toward DNA was compared with the well-known $[Ru(bpy)_3]Cl_2$ (bpy:2,2-bipyridyl), using isotropic absorption, linear dichroism(LD) spectroscopy, and an energy minimization study. Compared to $[Ru(bpy)_3]^{2+}$, the $[Ru(tpy)_2]^{2+}$ complex exhibited very little change in its absorption pattern, especially in the MLCT band, upon binding to DNA. Furthermore, upon DNA binding, both Ru(II) complexes induced a decrease in the LD magnitude in the DNA absorption region. The $[Ru(tpy)_2]^{2+}$ complex produced a strong positive LD signal in the ligand absorption region, which is in contrast with the $[Ru(bpy)_3]^{2+}$ complex. Observed spectral properties led to the conclusion that the interaction between the ligands and DNA bases is negligible for the $[Ru(tpy)_2]^{2+}$ complex, although it formed an adduct with DNA. This conclusion implies that both complexes bind to the surface of DNA, most likely to negatively charged phosphate groups via a simple electrostatic interaction, thereby orienting to exhibit the LD signal. The energy minimization calculation also supported this conclusion.

Analysis of BNNT(Boron Nitride Nano Tube) synthesis by using Ar/N2/H2 60KW RF ICP plasma in the difference of working pressure and H2 flow rate

  • Cho, I Hyun;Yoo, Hee Il;Kim, Ho Seok;Moon, Se Youn;Cho, Hyun Jin;Kim, Myung Jong
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2016년도 제50회 동계 정기학술대회 초록집
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    • pp.179-179
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    • 2016
  • A radio-frequency (RF) Inductively Coupled Plasma (ICP) torch system was used for boron-nitride nano-tube (BNNT) synthesis. Because of electrodeless plasma generation, no electrode pollution and effective heating transfer during nano-material synthesis can be realized. For stable plasma generation, argon and nitrogen gases were injected with 60 kW grid power in the difference pressure from 200 Torr to 630 Torr. Varying hydrogen gas flow rate from 0 to 20 slpm, the electrical and optical plasma properties were investigated. Through the spectroscopic analysis of atomic argon line, hydrogen line and nitrogen molecular band, we investigated the plasma electron excitation temperature, gas temperature and electron density. Based on the plasma characterization, we performed the synthesis of BNNT by inserting 0.5~1 um hexagonal-boron nitride (h-BN) powder into the plasma. We analysis the structure characterization of BNNT by SEM (Scanning Electron Microscopy) and TEM (Transmission Electron Microscopy), also grasp the ingredient of BNNT by EELS (Electron Energy Loss Spectroscopy) and Raman spectroscopy. We treated bundles of BNNT with the atmospheric pressure plasma, so that we grow the surface morphology in the water attachment of BNNT. We reduce the advancing contact angle to purity bundles of BNNT.

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CdS 박막제작 및 그 특성(발광 및 수광 소자 응용을 위한에 II-VI족 화합물 반도체들의 접착에 관한 기초연구) (Growth and Properties of CdS Thin films(A Study on the adhesion of II-VI compound semiconductor for applications in light emitting and absorbing devices))

  • Kang, Hyun-Shik;Cho, Ji-Eun;Kim, Kyung-Wha
    • 태양에너지
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    • 제17권2호
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    • pp.55-66
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    • 1997
  • CdTe/CdS 태양전지 제작에 필요한 다결정 CdS 박막을 ITO 전도 유리기판위에 SSD법, SPD법 및 CBD법 으로 제작하고 열처리 한 후 그 결정구조와 광학적 특성을 조사하였다. 박막은 모두 Wurtzite 구조를 보였고 SSD법과 CBD법의 박막은 $0.5{\mu}m$ 크기의 CdS 입자가 불규칙적으로 형성되어 증착되어 있음을 보였고, $400^{\circ}C$로 진공중에서 열처리 할 때 입자의 크기가 약간 증가하였다. SPD법의 박막은 (002)방향으로 결정이 성장되고 입자의 크기가 $0.1-0.3{\mu}m$ 이었다. 에너지 밴드갭 및 결함 상태를 광학적 흡수, 광 루미니센스, 라만 및 광 열 편기 스펙트럼(PDS) 측정을 통해 조사하였다.

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RF 마그네트론 스퍼터링법으로 성장 된 SnS 박막의 구조적 및 광학적 특성에 대한 증착 압력의 영향 (Influence of Deposition Pressure on Structural and Optical Properties of SnS Thin Films Grown by RF Magnetron Sputtering)

  • 손승익;이상운;손창식;황동현
    • Current Photovoltaic Research
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    • 제8권1호
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    • pp.33-38
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    • 2020
  • Single-phased SnS thin films have been prepared by RF magnetron sputtering at various deposition pressures. The effect of deposition pressure on the structural and optical properties of polycrystalline SnS thin films was studied using X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS) and ultraviolet-visible-near infrared (UV-Vis-NIR) spectrophotometer. The XRD analysis revealed the orthorhombic structure of the SnS thin films oriented along the (111) plane direction. As the deposition pressure was increased from 5 mTorr to 15 mTorr, the intensity of the peak on the (111) plane increased, and the intensity decreased under the condition of 20 mTorr. The binding energy difference at the Sn 3d5/2 and S 2p3/2 core levels was about 324.5 eV, indicating that the SnS thin film was prepared as a pure Sn-S phase. The optical properties of the SnS thin films indicate the presence of direct allowed transitions with corresponding energy band gap in the rang 1.47-1.57 eV.

직접천이 띠간격을 갖는 $Ge_{1-x}$$Sn_x$/$Ge_{1-y}$$Sn_y$(001)의 전기적 특성 연구 (Study of the electrical propety for $Ge_{1-x}$$Sn_x$/$Ge_{1-y}$$Sn_y$((001) with a direct gap)

  • 박일수;전상국
    • 한국전기전자재료학회논문지
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    • 제13권12호
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    • pp.989-995
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    • 2000
  • G $e_{1-x}$ S $n_{x}$G $e_{1-y}$S $n_{y}$ is a very promising material for the high-speed device due to the fact that electron and hole mobilities for the strained G $e_{1-x}$ S $n_{x}$G $e_{1-y}$S $n_{y}$ are greatly enhanced. Because G $e_{1-x}$ S $n_{x}$G $e_{1-y}$S $n_{y}$ has a direct band gap for the proper combination of x and y, it can be applied to the optoelectronic device. Therefore, the study of the electrical property for G $e_{1-x}$ S $n_{x}$G $e_{1-y}$S $n_{y}$(001) with a direct energy gap is needed. G $e_{1-x}$ S $n_{x}$ layer can not be grown thickly due to the large difference of lattice constants. This fact prefers the structure of the device where electrons and holes move in the plane direction. The transverse mobilities of electron and hole for G $e_{0.8}$S $n_{0.2}$Ge(001) are 2~3 times larger than those for Ge/Ge/ sub0.8/S $n_{0.2}$(001). Therefore, G $e_{0.8}$S $n_{0.2}$Ge(001) is expected to be better than Ge/G $e_{0.8}$S $n_{0.2}$(001) for the development of the high-speed device.h-speed device.device.h-speed device. device.

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Size-homogeneous gold nanoparticle decorated on graphene via MeV electron beam irradiation

  • Kim, Yoo-Seok;Song, Woo-Seok;Jeon, Cheol-Ho;Kim, Sung-Hwan;Park, Chong-Yun
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2011년도 제40회 동계학술대회 초록집
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    • pp.487-487
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    • 2011
  • Recently graphene has emerged as a fascinating 2D system in condensed-matter physics as well as a new material for the development of nanotechnology. The unusual electronic band structure of graphene allows it to exhibit a strong ambipolar electric field effect with high mobility. These properties lead to the possibility of its application in high-performance transparent conducting films (TCFs). Compared to indium tin oxide (ITO) electrodes, which have a typical sheet resistance of ${\sim}60{\Omega}$/sq and ~85 % transmittance in the visible range (400?900 nm), the CVD-grown graphene electrodes have a higher/flatter transmittance in the visible to IR region and are more robust under bending. Nevertheless, the lowest sheet resistance of the currently available CVD graphene electrodes is higher than that of ITO. Here, we report an ingenious strategy, irradiation of MeV electron beam (e-beam) at room temperature under ambient condition, for obtaining size-homogeneous gold nanoparticle decorated on graphene. The nano-particlization promoted by MeV e-beam irradiation was investigated by transmission electron microscopy, electron energy loss spectroscopy elemental mapping, and energy dispersive X-ray spectroscopy. These results clearly revealed that gold nanoparticle with 10 ~ 15 nm in mean size were decorated along the surface of the graphene after 1.5 MeV-e-beam irradiation. A chemical transformation and charge transfer for the metal gold nanoparticle were systematically explored by X-ray photoelectron spectroscopy and Raman spectroscopy. This approach advances the numerous applications of graphene films as transparent conducting electrodes.

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Structural monitoring of wind turbines using wireless sensor networks

  • Swartz, R. Andrew;Lynch, Jerome P.;Zerbst, Stephan;Sweetman, Bert;Rolfes, Raimund
    • Smart Structures and Systems
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    • 제6권3호
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    • pp.183-196
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    • 2010
  • Monitoring and economical design of alternative energy generators such as wind turbines is becoming increasingly critical; however acquisition of the dynamic output data can be a time-consuming and costly process. In recent years, low-cost wireless sensors have emerged as an enabling technology for structural monitoring applications. In this study, wireless sensor networks are installed in three operational turbines in order to demonstrate their efficacy in this unique operational environment. The objectives of the first installation are to verify that vibrational (acceleration) data can be collected and transmitted within a turbine tower and that it is comparable to data collected using a traditional tethered system. In the second instrumentation, the wireless network includes strain gauges at the base of the structure. Also, data is collected regarding the performance of the wireless communication channels within the tower. In both turbines, collected wireless sensor data is used for off-line, output-only modal analysis of the ambiently (wind) excited turbine towers. The final installation is on a turbine with embedded braking capabilities within the nacelle to generate an "impulse-like" load at the top of the tower. This ability to apply such a load improves the modal analysis results obtained in cases where ambient excitation fails to be sufficiently broad-band or white. The improved loading allows for computation of true mode shapes, a necessary precursor to many conditional monitoring techniques.

고온, 고압에서의 요오드 치환 Polycarbosilane의 합성 및 특성 (Synthesis of Iodine Substituted Polycarbosilane by High Temperature and Pressure Reaction Process and Properties Characterization)

  • 변지철;라케쉬 산다난드 샤르비드레;김윤호;박승민;고명석;민효진;이나영;류재경;김택남
    • 한국재료학회지
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    • 제30권9호
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    • pp.489-494
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    • 2020
  • SiC is a material with excellent strength, heat resistance, and corrosion resistance. It is generally used as a material for SiC invertors, semiconductor susceptors, edge rings, MOCVD susceptors, and mechanical bearings. Recently, SiC single crystals for LED are expected to be a new market application. In addition, SiC is also used as a heating element applied directly to electrical energy. Research in this study has focused on the manufacture of heating elements that can raise the temperature in a short time by irradiating SiC-I2 with microwaves with polarization difference, instead of applying electric energy directly to increase the convenience and efficiency. In this experiment, Polydimethylsilane (PDMS) with 1,2 wt% of iodine is synthesized under high temperature and pressure using an autoclave. The synthesized Polycarbosilane (PCS) is heat treated in an argon gas atmosphere after curing process. The experimental results obtain resonance peaks using FT-IR and UV-Visible, and the crystal structure is measured by XRD. Also, the heat-generating characteristics are determined in the frequency band of 2.45 GHz after heat treatment in an air atmosphere furnace.