102,984 research outputs found

    DFT and TB study of the geometry of hydrogen adsorbed on graphynes

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    Using density-functional calculations (DFT) and a tight-binding model, we investigate the origin of distinct favorable geometries which depend on the type of graphyne used. The change in the H geometry is described in terms of the tuning of the hopping between sp(2)-bonded C atoms and sp-bonded C atoms hybridized with the H atoms. We find that the different preferred geometry for each type of graphyne is associated with the electronic effects due to different symmetries rather than a steric effect minimizing the repulsive interaction between the H atoms. The band gaps are significantly tuned as the hopping varies, except in alpha-graphyne, in agreement with the result of our previous DFT study (Koo J et al 2013 J. Phys. Chem. C 117 11960). Our model can be used to describe the geometry and electronic properties of hydrogenated graphynes

    Chalmers Tai Koo Dockyard, Mr And Mrs J C (James Calder), [No Service Number]

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    This record was harvested from a previous catalogue system and will be withdrawn in 2025. Information in this record may be superseded or incomplete. Visit this record in UMA's new catalogue at: https://archives.library.unimelb.edu.au/nodes/view/376557Surname: CHALMERS TAI KOO DOCKYARD Given Name(s) or Initials: MR AND MRS J C (JAMES CALDER) Military Service Number or Last Known Location: No Service Number Missing, Wounded and Prisoner of War Enquiry Card Index Number: 12584189545 Item: [2016.0049.08862] "Chalmers Tai Koo Dockyard, Mr And Mrs J C (James Calder), [No Service Number]

    [Report to Chief J. E. Curry, by an unknown author #1]

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    Report to Chief J. E. Curry, by an unknown author. The report contains a list of officers who gave depositions to the United States Attorney

    [Report to Chief J. E. Curry, by an unknown author #2]

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    Report to Chief J. E. Curry, by an unknown author. The report contains a list of officers who gave depositions to the United States Attorney

    Murder on the mountain: author talk with Peter J. Wosh

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    Author talk by Peter J. Wosh on May 5th, 2022, on his book, "Murder on the Mountain: crime, passion, and punishment in gilded age New Jersey.

    Effect of Breathing Characteristics on the Performance in Spark-Ignition Engines

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    Adaptive valve timing control is one of the promising techniques to accomplish the optimized mixture formation and combustion depending on the load and speed, which is needed to meet the future challenges of reducing fuel consumption and exhaust emissions. The behavior and the effect of adaptive valve timing control system has been investigated by computer simulation, which simulates the gas dynamics in engines. These programs are typically one-dimensional including complex flow features as ‘special’ boundaries. A code adopting 2-step Lax-Wendroff method with artificial damping terms called FCT(Flux Corrected Transport), was developed to investigate the influence of operational and design parameters on the performance of engines. The effects of adaptive valve timing control system on volumetric efficiency or engine torque, and pumping loss were investigated. It increased low end torque by about 6 %, and reduced pumping loss drastically at low load, high engine speed conditions. The pressure pulsation in intake manifold was affected significantly by adjusting valve timings.기계공학전
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