• Title/Summary/Keyword: Defect State

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MOLECULAR DYNAMICS SIMULATION OF THE INTERACTION BETWEEN CLUSTER BEAMS AND SOLID SURFACES

  • Kang, Hee-Jae;Lee, Min-Wha;Whang, Chung-Nam
    • Journal of the Korean Vacuum Society
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    • v.4 no.S2
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    • pp.139-147
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    • 1995
  • The mechanism of the ionized cluster beam deposition has been studied using Molecular Dynamics Simulation. The Embedded Atom Method(EAM) potential were used in the simulation. The impact of a Au95-cluster on Au(100) substrate was studied for the impact energies 0.15-10eV/atom. The dependency of the impact energy of cluster beam was observed. For the cluster energy impact of 10eV per atom, the defects on surface were created and the cluster embedded into substrate as an amorphous state. For the energy of 0.5eV per atom, the defect free homoepitaxial growth was observed and atomic scale nucleation was formated, which are in good agreement with experiment. Thus molecular dynamics simulation is very useful to study the mechanism of the ionized cluster beam deposition.

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Study on Yield Behavior of Semi-Solid Material by Finite Element Method and Upper-Bound Method (유한요소법과 상계법에 의한 반용융 재료의 항복거동 연구)

  • Choi, Jae-Chan;Park, Joon-Hong;Kim, Byung-Min
    • Journal of the Korean Society for Precision Engineering
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    • v.16 no.9
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    • pp.89-95
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    • 1999
  • The compression behavior of semi-solid materials in studied from a viewpoint of yield criteria and analysis methods. To describe the behavior of materials in semi-solid state, several theories have been proposed by extending the concept of plasticity of porous compressible materials. in the present work, the upper-bound method and the finite element method are used to model the simple compression process using yield criteria of Kuhn and Doraivelu. Segregation between solid and liquid which cause defect of product is analysed for Sn-15%Pb alloy is compared with the experimental result of Charreyron et al..

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Study on the characteristic and behavior of dross in galvanizing bath (용융아연도금욕중 드로스의 특성 및 거동연구)

  • 남궁성;허보영
    • Journal of the Korean institute of surface engineering
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    • v.34 no.4
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    • pp.313-320
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    • 2001
  • It is well known that the amount of hot-dip Zn coated sheet steels used for automotive is rapidly increasing. As hot-dip steel sheets show good corrosion resistance and excellent formability, the demand for outer panel of automotive has been increased in order to satisfy with the requirement of high surface qualify. There are many kinds of factors influencing on the surface quality and the dross control in the galvanising bath is regarded as one of the most important thing. In this study the characteristic and growing behavior of dross in the galvanizing bath were investigated and the effect of dross on the surface defect of GA was surveyed. The dross defects on the GA sheet steels result from bottom dross whose diameter are larger 50$\mu\textrm{m}$ in the Zn pot. Dross-free state exist for about 30 hours from starting time of GA production.

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Ab initio Study for Electronic Property and Ferromagnetism of (Cu, N, or F)-codoped ZnO

  • Kang, Byung-Sub;Chae, Kwang-Pyo
    • Journal of Magnetics
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    • v.17 no.3
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    • pp.163-167
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    • 2012
  • The effects on the ferromagnetism of the O or Zn defect in Cu-doped ZnO with the concentration of 2.77-8.33% have been investigated by the first-principles calculations. The Cu doping in ZnO was calculated to be a kind of p-type ferromagnetic half-metals. When the Zn vacancy exists in Cu-doped ZnO, the Cu magnetic moment increases, while for the O vacancy it is reduced. It is noticeable that the ferromagnetic state was originated from the hybridized O(2p)-Cu(3d)-O(2p) chain formed through the p-d coupling. The carrier-mediated ferromagnetism by nitrogen or fluorine does not depend on their concentration.

Evaluating Slope Greening Construction for Enhanced Sustainability -A Case Study of Sagewood CC, Yeosu Gyeongdo Island- (사면녹화 시공 평가를 통한 개선방안에 관한 기반연구 -세이지우드 CC 여수 경도를 사례로-)

  • Hak-Sung Kim;Sung-Jin Yeom
    • Journal of Environmental Science International
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    • v.32 no.10
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    • pp.703-712
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    • 2023
  • Due to sporadic development projects and Korea's geographical characteristics slopes are inevitable. Consequently, widespread slope greening projects are underway, prioritizing safety and landscape integration. Experimental research is being conducted on slope greening methods and their effects; however, there is a dearth of research on the various conditions resulting from slope greening construction defects. This study examined different conditions and assessed greening methods on real-world sites to understand their correlation with slope greening. Even in the same areas, the state of slope greening varied in different conditions. This underscores the importance of pre-evaluating specific conditions to achieve efficient slope greening results across various conditions. Consequently, there is a need for guidelines and institutional frameworks to assess various conditions in future endeavors.

Tunable doping sites and the impacts in photocatalysis of W-N codoped anatase TiO2

  • Choe, Hui-Chae;Sin, Dong-Bin;Yeo, Byeong-Cheol;Song, Tae-Seop;Han, Sang-Su;Park, No-Jeong;Kim, Seung-Cheol
    • Proceedings of the Korean Vacuum Society Conference
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    • 2016.02a
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    • pp.246-246
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    • 2016
  • Tungsten-nitrogen (W-N) co-doping has been known to enhance the photocatalytic activity of anatase titania nanoparticles by utilizing visible light. The doping effects are, however, largely dependent on calcination or annealing conditions, and thus, the massive production of quality-controlled photocatalysts still remains a challenge. Using density functional theory (DFT) thermodynamics and time-dependent DFT (TDDFT) computations, we investigate the atomic structures of N doping and W-N co-doping in anatase titania, as well as the effect of the thermal processing conditions. We find that W and N dopants predominantly constitute two complex structures: an N interstitial site near a Ti vacancy in the triple charge state and the simultaneous substitutions of Ti by W and the nearest O by N. The latter case induces highly localized shallow in-gap levels near the conduction band minimum (CBM) and the valence band maximum (VBM), whereas the defect complex yielded deep levels (1.9 eV above the VBM). Electronic structures suggest that substitutions of Ti by W and the nearest O by N improves the photocatalytic activity of anatase by band gap narrowing, while defective structure degrades the activity by an in-gap state-assisted electron-hole recombination, which explains the experimentally observed deep level-related photon absorption. Through the real-time propagation of TDDFT (rtp-TDDFT), we demonstrate that the presence of defective structure attracts excited electrons from the conduction band to a localized in-gap state within a much shorter time than the flat band lifetime of titania. Based on these results, we suggest that calcination under N-rich and O-poor conditions is desirable to eliminate the deep-level states to improve photocatalysis.

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Analysis of Electrical Accident for Outlet Circuit of Laboratory on ETA (ETA를 통한 연구실험실 콘센트회로의 전기재해 분석)

  • Kim, Doo-Hyun;Kim, Sung-Chul;Park, Jong-Young;Kim, Sang-Chul
    • Journal of the Korean Society of Safety
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    • v.32 no.2
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    • pp.27-33
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    • 2017
  • This study is intended to identify issues on the basis of investigating the actual state of laboratory environment and outlet circuit, and derive end states by expressing sequences from the initiating event of disaster to accident in leakage current, poor contact and overload through ETA(event tree analysis). To this end, this study investigated the actual state of electric equipment of laboratory at universities in all parts of country. And it is shown that most of them are failure in electric work and user negligence in the investigation of actual state. It is found that there is earth fault and defect in wire diameter in the failure of electric work and the problem of partial disconnection due to wire bundling and poor contact in user negligence. Outlet-related component, failure rate and initiating events are composed of a total of 41 initiating events, i.e., 30 internal initiating events and 11 external initiating events. And end states are composed of a total of 15 parts, i.e., 3 electric power parts and 12 safety parts. Earthing class 3 is the most important safety device against leakage current (initiating event). And in case of poor contact, it is necessary for manager to check thoroughly because there is no safety device. In case of overload/overcurrent, when high-capacity equipment is connected, a molded case circuit breaker, safety device, worked. However, in most cases, it is verified that this doesn't work. This study can be utilized as electric equipment safety guide for laboratory safety manager and managers.

A Study on the Implementation of Direct Digital Frequency Synthesizer using the synthesized Clock Counting Method to make the State of randomly Frequency Hopping (주파수 도약용 표본클럭 합성 계수 방식의 직접 디지틀 주파수 합성기 구현에 관한 연구)

  • 장은영;이성수;김원후
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.16 no.10
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    • pp.914-924
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    • 1991
  • It has been generally used for PLL(Phase Locked Loop) to be synthesized randomly chosen frequency state, but the PLL locking time was inevitable element. A direct digital synthesizer. Which makes output frequency directly in sine wave by a phase accumulating method, could be leiminate the defect, although a phase distortion in frequency spectrum. In order to improve this disadvantage, the phase accumulating method is reconsidered in the side of he output wave formula expression. A new mechanism is proposed, and it is constructed by a most suitable logic elements. The spectrum of synthesized sine waveform is simulated and compared with a measured value, and it’s the coherence frequency hoppong state with the PN(Pseudo Noise) code sequence is confirmed. In this results, the power levels of phase distortion harmonics are decreased to 10~25dB and bandwidths are increased to 420kHz.

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A Comparative Study of Pulse-echo Method and TOFD Method for the Defect in the Welding Joint of the STS304 Stainless Steel (STS304 스테인리스강 용접부 결함평가에 대한 Pulse-echo법과 TOFD법의 비교연구)

  • Kil, Doo-Song;Choi, Won-Doo
    • Journal of Power System Engineering
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    • v.6 no.4
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    • pp.68-72
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    • 2002
  • For the evaluation of a flaw in a welded stainless steel by the Time of Flight Diffraction(TOFD) Method, we have made the reference specimen for experimentation. As a result, we could analyze a specific character and the inner state of the structure in a welded stainless steel and we came to the conclusion as followed. (1) For analyze the structure state of a section in a welded stainless steel through the optical microscope, we could have analyzed the generated shape and the location of a flaw and the inner parts of the structure state through the microscope of eighty magnification and two hundred magnification about the soundness, the heat affected zone(HAZ) and the welded part. (2) Through the comparison with the shape and the size of a flaw in the welded part about the conventional ultrasonic test and the TOFD Method, we could make an observation the special character of the TOFD Method and principles. (3) We analyzed and collected the merit of the TOFD Method on the basis of the experimental result by the shape and the size of a flaw in the inner welded parts. So, we made up a base that we could use as a basic data for a similar flaw like that. Through the study as mentioned above, we could make an observation the flaw detective method and principles used in the TOFD Method.

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Simulation study on the mechanical properties and failure characteristics of rocks with double holes and fractures

  • Pan, Haiyang;Jiang, Ning;Gao, Zhiyou;Liang, Xiao;Yin, Dawei
    • Geomechanics and Engineering
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    • v.30 no.1
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    • pp.93-105
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    • 2022
  • With the exploitation of natural resources in China, underground resource extraction and underground space development, as well as other engineering activities are increasing, resulting in the creation of many defective rocks. In this paper, uniaxial compression tests were performed on rocks with double holes and fractures at different angles using particle flow code (PFC2D) numerical simulations and laboratory experiments. The failure behavior and mechanical properties of rock samples with holes and fractures at different angles were analyzed. The failure modes of rock with defects at different angles were identified. The fracture propagation and stress evolution characteristics of rock with fractures at different angles were determined. The results reveal that compared to intact rocks, the peak stress, elastic modulus, peak strain, initiation stress, and damage stress of fractured rocks with different fracture angles around holes are lower. As the fracture angle increases, the gap in mechanical properties between the defective rock and the intact rock gradually decreased. In the force chain diagram, the compressive stress concentration range of the combined defect of cracks and holes starts to decrease, and the model is gradually destroyed as the tensile stress range gradually increases. When the peak stress is reached, the acoustic emission energy is highest and the rock undergoes brittle damage. Through a comparative study using laboratory tests, the results of laboratory real rocks and numerical simulation experiments were verified and the macroscopic failure characteristics of the real and simulated rocks were determined to be similar. This study can help us correctly understand the mechanical properties of rocks with defects and provide theoretical guidance for practical rock engineering.