Faculty Publications

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    Computational investigation of the temperature separation in vortex chamber
    (Korean Society of Mechanical Engineers, 2014) Anish, A.; Setoguchi, T.; Kim, H.D.
    The vortex chamber is a mechanical device, without any moving parts that separates compressed gas into a high temperature region and a low temperature region. Functionally vortex chamber is similar to a Ranque-Hilsch vortex tube (RVHT), but it is a simpler and compact structure. The objective of the present study is to investigate computationally the physical reasoning behind the energy separation mechanism inside a vortex chamber. A computational analysis has been performed using three-dimensional compressible Navier-Stokes equations. A fully implicit finite volume scheme was used to solve the governing equations. A commercial software ANSYS CFX is used for this purpose. The computational predictions were validated with existing experimental data. The results obtained show that the vortex chamber contains a large free vortex zone and a comparatively smaller forced vortex region. The physical mechanism that causes the heating towards periphery of the vortex chamber is identified as the work done by the viscous force. The cooling at the center may be due to expansion of the flow. The extent of temperature separation greatly depends on the outer diameter of the vortex chamber. A small amount of compression is observed towards the periphery of the vortex chamber when the outer diameter is reduced. © 2014 The Korean Society of Mechanical Engineers and Springer-Verlag Berlin Heidelberg.
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    Vibrational spectra of Ruthenium Carbide structures yielded by the structure search employing evolutionary algorithm
    (Elsevier Ltd, 2015) Harikrishnan, G.; Ajith, K.M.; Chandra, S.; Valsakumar, M.C.
    Out of the three dynamically stable structures of Ruthenium Carbides yielded by the exhaustive structure search employing evolutionary algorithm, Born effective charges are computed for the semiconducting RuC in Zinc blende structure using density functional perturbation theory. Using the phonon frequencies and the Born effective charge tensors of Ru and C in this structure, infrared spectrum is generated for this system. Computations of these dynamical quantities and IR spectra from first principles can be helpful in the unambiguous determination of the stoichiometry and structure by comparison of the experimental measurements with the computational predictions. The positive formation energies of the three systems show that high pressure and possibly high temperature may be necessary for their synthesis. Formation energies of these systems at different pressures are computed. One of the structurally stable systems, Ru3C with hexagonal structure (P6¯m2), has negative formation energy at 200 GPa. The system reported from the first synthesis of Ruthenium Carbide also has the same symmetry, though it has a different stoichiometry. © 2015 Elsevier Ltd. All rights reserved.