• Title/Summary/Keyword: surface state

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First-principles study of dissociation processes of O2 molecular on the Al (111) surface

  • Sun, Shiyang;Xu, Pingping;Ren, Yuan;Tan, Xin;Li, Geyang
    • Current Applied Physics
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    • v.18 no.12
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    • pp.1528-1533
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    • 2018
  • The trajectories of adsorption and dissociation process of $O_2$ on the Al (111) surface were studied by the spinpolarized ab initio molecular dynamics method, and the adsorption activation energy was clarified by the NEB method with hybrid functionals. Three typical dissociation trajectories were found through simulation of $O_2$ molecule at different initial positions. When vertically approaches to the Al surface, the $O_2$ molecule tends to rotate, and the activation energy is 0.66eV. If $O_2$ molecule does not rotate, the activation energy will increase to 1.43 eV, and it makes the O atom enter the Al sublayer eventually. When the $O_2$ molecules parallel approach to the Al surface, there is no activation energy, due to the huge energy released during the adsorption process.

Surface Driven Switching in Liquid Crystal Displays

  • Komitov, Lachezar
    • 한국정보디스플레이학회:학술대회논문집
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    • 2009.10a
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    • pp.14-16
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    • 2009
  • Surface driven switching of the liquid crystal bulk arising from the coupling between an applied electric field and a polarized state of a nematic liquid crystal, both localized at the substrate surface, is reported. Fast switching is demonstrated in a hybrid aligned nematic cell with a fringe electric field generated by comb-like electrode structure.

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Monitoring the Manufacturing Characteristics of Aloe Gel-State Food (알로에 겔상 식품의 제조특성 모니터링)

  • 이기동;김숙경;권도영;박상렬
    • Journal of the Korean Society of Food Science and Nutrition
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    • v.32 no.1
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    • pp.89-95
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    • 2003
  • Four-dimensional response surface methodology was used for monitoring the manufacturing characteristics of aloe gel-state food. The optimum conditions predicted for each corresponding sensory properties of aloe gel-state food were 87.38 mL (content of aloe juice), 0.16 g (content of konjac) and 0.19 g (content of carrageenan) in coloror of gel-state food, 83.84 mL, 0.17 g and 0.20 g in aroma of aloe gel-state food, 83.20 mL.0.15 g and 0.27 g taste of aloe gel-state food and 98.95 mL, 0.10 g and 0.23 g in texture of aloe gel-state food. Maximum chewiness of aloe gel-state food was in 113.05 mL aloe juice, 0.27 g konjac and 0.21 g carrageenan. The optimum conditions, which satisfied all sensory properties of gel-state food, were 88.23 mL, 0.15 g and 0.49 g in content of aloe juice, content of konjac and content of carrageenan, respectively.

LIMITED OXIDATION OF IRRADIATED GRAPHITE WASTE TO REMOVE SURFACE CARBON-14

  • Smith, Tara E.;Mccrory, Shilo;Dunzik-Gougar, Mary Lou
    • Nuclear Engineering and Technology
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    • v.45 no.2
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    • pp.211-218
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    • 2013
  • Large quantities of irradiated graphite waste from graphite-moderated nuclear reactors exist and are expected to increase in the case of High Temperature Reactor (HTR) deployment [1,2]. This situation indicates the need for a graphite waste management strategy. Of greatest concern for long-term disposal of irradiated graphite is carbon-14 ($^{14}C$), with a half-life of 5730 years. Fachinger et al. [2] have demonstrated that thermal treatment of irradiated graphite removes a significant fraction of the $^{14}C$, which tends to be concentrated on the graphite surface. During thermal treatment, graphite surface carbon atoms interact with naturally adsorbed oxygen complexes to create $CO_x$ gases, i.e. "gasify" graphite. The effectiveness of this process is highly dependent on the availability of adsorbed oxygen compounds. The quantity and form of adsorbed oxygen complexes in pre- and post-irradiated graphite were studied using Time of Flight Secondary Ion Mass Spectrometry (ToF-SIMS) and Xray Photoelectron Spectroscopy (XPS) in an effort to better understand the gasification process and to apply that understanding to process optimization. Adsorbed oxygen fragments were detected on both irradiated and unirradiated graphite; however, carbon-oxygen bonds were identified only on the irradiated material. This difference is likely due to a large number of carbon active sites associated with the higher lattice disorder resulting from irradiation. Results of XPS analysis also indicated the potential bonding structures of the oxygen fragments removed during surface impingement. Ester- and carboxyl-like structures were predominant among the identified oxygen-containing fragments. The indicated structures are consistent with those characterized by Fanning and Vannice [3] and later incorporated into an oxidation kinetics model by El-Genk and Tournier [4]. Based on the predicted desorption mechanisms of carbon oxides from the identified compounds, it is expected that a majority of the graphite should gasify as carbon monoxide (CO) rather than carbon dioxide ($CO_2$). Therefore, to optimize the efficiency of thermal treatment the graphite should be heated to temperatures above the surface decomposition temperature increasing the evolution of CO [4].

Effect of shield tunnel underpass construction on the upper existing pipeline

  • Zhen-Dong Cui;Zhang-Lin Zhu;Xuan-Yu Mi;Li Yuan;Zhong-Liang Zhang;Chen-Yang Zhao
    • Geomechanics and Engineering
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    • v.39 no.4
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    • pp.369-383
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    • 2024
  • The construction of the shield tunnel results in the deformation of the surrounding soil and the existing pipeline. It is important to analyze the deformation of the existing pipeline during the excavation of the tunnel. Based on the two-stage analysis method, the shear effect of pipeline due to the uneven settlement was considered and the deformation and internal force of existing pipeline due to the tunnel excavation were studied. The theoretical formulas were verified by the in-site monitoring. Compared with the theoretical calculation, the three-dimensional numerical simulation was established to simulate the deformation of the existing pipeline and the ground surface during the tunnelling. The effect of the Poisson's ratio, the tunnel diameter and the pipeline shading on the deformation of the existing pipeline were further investigated. The results show that the deformation curves of the pipeline and the ground surface conform to the Gaussian distribution, and the position above the axis of the tunnel experiences the maximum. When the excavation surface of tunnel crosses underneath the pipeline, the pipeline and the ground surface experience larger deformation and more subsidence, respectively. A certain amount of uplift is generated for the pipeline and the ground surface at ± 20 m away from the center line of the tunnel. The deformation of existing pipelines is affected by the tunnel excavation within its diameter range. The results can provide a reference for the design and construction of the shield tunnel underpass.

Review of Micro/Nano Nondestructive Evaluation Technique (I): Surface and Subsurface Investigation (마이크로/나노 비파괴평가 기술(I): 표면 및 표면직하 검사)

  • Kim, Chung-Seok;Park, Ik-Keun
    • Journal of the Korean Society for Nondestructive Testing
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    • v.32 no.2
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    • pp.198-209
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    • 2012
  • The present paper reviews the widely used surface microstructural investigation technique and micro/nano nondestructive evaluation(NDE) technique which is able to evaluate the surface and subsurface. In general, the micro/nano defects and microstructural state of surface have great influence on the mechanical, physical, and chemical properties of bulk materials. The investigation technique of surface microstructure is possible to evaluate the defects and microstructural state with high reliability. The various applications and developments of each inspection technique have been introduced. Consequently, it is thought that the technique developments and applications of micro/nano NDE in nondestructive industries are extensively possible hereafter.