Faculty Publications
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Item Molecular dynamics investigation of dipeptide - Transition metal salts in aqueous solutions(American Chemical Society service@acs.org, 2010) Santosh, M.S.; Lyubartsev, A.; Mirzoev, A.; Bhat, D.K.Molecular dynamics (MD) simulations of glycylglycine dipeptide with transition metal ions (Mn2+, Fe2+, Co2+, Ni2+, Cu2+, and Zn2+) in aqueous solutions have been carried out to get an insight into the solvation structure, intermolecular interactions, and salt effects in these systems. The solvation structure and hydrogen bonding were described in terms of radial distribution function (RDF) and spatial distribution function (SDF). The dynamical properties of the solvation structure were also analyzed in terms of diffusion and residence times. The simulation results show the presence of a well-defined first hydration shell around the dipeptide, with water molecules forming hydrogen bonds to the polar groups of the dipeptide. This shell is, however, affected by the strong electric field of divalent metal ions, which at higher ion concentrations lead to the shift in the dipeptide-water RDFs. Higher salt concentrations lead also to increased residence times and slower diffusion rates. In general, smaller ions (Cu2+, Zn2+) demonstrate stronger binding to dipeptide than the larger ones (Fe2+, Mn 2+). Simulations do not show any stronger association of peptide molecules indicating their dissolution in water. The above results may be of potential interest to future researchers on these molecular interactions. © 2010 American Chemical Society.Item Computation of electric field and thermal properties of 3-phase cable(Universitas Ahmad Dahlan thsutikno@ieee.org, 2012) Rajagopala, K.; Vittal, K.P.; Lunavath, H.In this paper the electric field distribution, potential distribution and temperature distribution in a 3-phase underground cable in common ground enclosure is analyzed and presented. Unlike 3-Phase screened cable the stress distribution in a belted cable is not radial. A 3-phase high voltage power cable buried in soil can be used to investigate its electrical and thermal properties. In the present study the voltage distribution of an underground cable of 132 kV is analyzed using FEM and its ampacity and temperature distribution is calculated by analytical method. Further their performance parameter is verified using Comsol Multiphysics software. The results obtained using comsol software is also compared with the results of CSM model which is obtained through literature review. © 2012 Universitas Ahmad Dahlan.Item Scanning and resetting the phase of a pinned spiral wave using periodic far field pulses(Institute of Physics Publishing helen.craven@iop.org, 2016) Shajahan, T.K.; Berg, S.; Luther, S.; Krinski, V.; Bittihn, P.Spiral waves in cardiac tissue can pin to tissue heterogeneities and form stable pinned waves. These waves can be unpinned by electric stimuli applied close to the pinning center during the vulnerable window of the spiral. Using a phase transition curve (PTC), we quantify the response of a pinned wave in a cardiac monolayer to secondary excitations generated electric field pulses. The PTC can be used to construct a one-dimensional map that faithfully predicts the pinned wave's response to periodic field stimuli. Based on this 1D map, we predict that pacing at a frequency greater than the spiral frequency, over drive pacing, leads to phase locking of the spiral to the stimulus, which hinders unpinning. In contrast, under drive pacing can lead to scanning of the phase window of the spiral, which facilitates unpinning. The predicted mechanisms of phase scanning and phase locking are experimentally tested and confirmed in the same monolayers that were used to obtain the PTC. Our results have the potential to help choose optimal parameters for low energy antifibrillation pacing schemes. © 2016 IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.Item Effects of the Reynolds number on two-dimensional dielectrophoretic motions of a pair of particles under a uniform electric field(Korean Society of Mechanical Engineers, 2016) Kang, S.; Mannoor, M.; Maniyeri, R.This paper presents two-dimensional direct numerical simulations to explore the effect of the Reynolds number on the Dielectrophoretic (DEP) motion of a pair of freely suspended particles in an unbounded viscous fluid under an external uniform electric field. Accordingly, the electric potential is obtained by solving the Maxwell’s equation with a great sudden change in the electric conductivity at the particle-fluid interface and then the Maxwell stress tensor is integrated to determine the DEP force exerted on each particle. The fluid flow and particle movement, on the other hand, are predicted by solving the continuity and Navier-Stokes equations together with the kinetic equations. Numerical simulations are carried out using a finite volume approach, composed of a sharp interface method for the electric potential and a direct-forcing immersed-boundary method for the fluid flow. Through the simulations, it is found that both particles with the same sign of the conductivity revolve and eventually align themselves in a line with the electric field. With different signs, to the contrary, they revolve in the reverse way and eventually become lined up at a right angle with the electric field. The DEP motion also depends significantly on the Reynolds number defined based on the external electric field for all the combinations of the conductivity signs. When the Reynolds number is approximately below Recr ? 0.1, the DEP motion becomes independent of the Reynolds number and thus can be exactly predicted by the no-inertia solver that neglects all the inertial and convective effects. With increasing Reynolds number above the critical number, on the other hand, the particles trace larger trajectories and thus take longer time during their revolution to the eventual in-line alignment. © 2016, The Korean Society of Mechanical Engineers and Springer-Verlag Berlin Heidelberg.Item Static studies of stepped functionally graded magneto-electro-elastic beam subjected to different thermal loads(Elsevier Ltd, 2017) Mahesh, M.; Kattimani, S.C.In this article, a three dimensional finite element (FE) formulation for a multilayered magneto-electro-elastic (MEE) beam in thermal environment is presented. The equilibrium equations of the system are attained using the principle of total potential energy and linear coupled constitutive equations of MEE material. The corresponding FE equations are derived and the numerical evaluation of stepped functionally graded (SFG) MEE beam is carried out. The influence of various in-plane and through thickness temperature distributions on the direct quantities (displacements and potentials) and derived quantities (stresses, electric displacement and magnetic flux density), across the thickness of SFG-MEE cantilever beam is analyzed. In addition, an attempt has been made to investigate the effect of stacking sequence, thermo-magnetic and thermo-electric coupling on the direct quantities of the SFG-MEE beam. Further, a comparative study is made to evaluate the variations of displacements, potentials, electric displacements, magnetic flux density and stresses at different regions of the beam. It is expected that the results presented in this article may be useful in the design and analysis of MEE smart structures and sensor applications. © 2016 Elsevier LtdItem Static behavior of thermally loaded multilayered Magneto-Electro-Elastic beam(Techno-Press, 2017) Mahesh, M.; Kattimani, S.C.The present article examines the static response of multilayered magneto-electro-elastic (MEE) beam in thermal environment through finite element (FE) methods. On the basis of the minimum total potential energy principle and the coupled constitutive equations of MEE material, the FE equilibrium equations of cantilever MEE beam is derived. Maxwell's equations are considered to establish the relation between electric field and electric potential; magnetic field and magnetic potential. A simple condensation approach is employed to solve the global FE equilibrium equations. Further, numerical evaluations are made to examine the influence of different in-plane and through-thickness temperature distributions on the multiphysics response of MEE beam. A parametric study is performed to evaluate the effect of stacking sequence and different temperature profiles on the direct and derived quantities of MEE beam. It is believed that the results presented in this article serve as a benchmark for accurate design and analysis of the MEE smart structures in thermal applications. © Copyright 2017 Techno-Press, Ltd.Item Static analysis of stepped functionally graded magneto-electro-elastic plates in thermal environment: A finite element study(Elsevier Ltd, 2017) Mahesh, M.; Kattimani, S.C.In this article, a finite element (FE) formulation accounting for multiphysics response of multilayered magneto-electro-elastic (MEE) plates in the thermal environment has been presented. The equilibrium equations of motion are attained using the principle of total potential energy and coupled constitutive relations of MEE material. Maxwell's equation of electrostatics and magnetostatics are used to model the electric and magnetic behavior. The influence of various through thickness temperature distributions on the static parameters of stepped functionally graded magneto-electro-elastic (SFG-MEE) plates is investigated. Further, an extra attention has been devoted to evaluate the effect of product properties (pyroelectric and pyromagnetic coupling), boundary conditions and aspect ratio on the direct (displacements, electric potential and magnetic potential) and derived quantities (stresses, electric displacement, and magnetic flux density) of the SFG-MEE plate. A comparative study is also carried out to analyse the effect of stacking sequence, boundary conditions, pyroeffects, length-to-width ratio and aspect ratios of the SFG-MEE plate. The credibility of the proposed FE model is verified with the results available in the literature. It is expected that the findings in this article may be useful for accurate design and analysis of MEE structures under the thermal environment. © 2017 Elsevier LtdItem Hygrothermal analysis of magneto-electro-elastic plate using 3D finite element analysis(Elsevier Ltd, 2017) Mahesh, M.; Kattimani, S.C.In this article, the static response of magneto-electro-elastic (MEE) plate subjected to hygrothermal loads is investigated using the finite element (FE) method. A FE formulation is derived using the principle of total potential energy and linear coupled constitutive equations of MEE materials by taking into account the thermal and hygroscopic field effects. A uniform temperature rise and moisture concentration rise has been considered. The variations of static parameters are estimated along the MEE plate length by considering the temperature and moisture dependant elastic stiffness coefficients. The coupled FE equilibrium equations in terms of displacements, electric and magnetic potentials are solved directly using condensation procedure. Numerical examples of the FE results are presented and discussed in detail to understand the significant effects of hygrothermal loading, temperature and moisture dependent material properties, boundary conditions and aspect ratio on the direct (displacements, electric potential and magnetic potential) and derived quantities (stresses, electric displacement and magnetic flux density) of MEE plate. © 2017 Elsevier LtdItem Investigation of the effect of BaTiO3/CoFe2O4 particle arrangement on the static response of magneto-electro-thermo-elastic plates(Elsevier Ltd, 2018) Mahesh, M.; Kattimani, S.In this article, a framework based on finite element (FE) methods is proposed for predicting the influence of spatial arrangement of two phase Barium Titanate (BaTiO3) and Cobalt Ferric Oxide (CoFe2O4) particulate composites on the static response of magneto-electro-thermo-elastic (METE) plates. The coupled material properties such as piezoelectric, piezomagnetic, dielectric, magnetic permeability, thermal expansion and pyro co-efficients vary significantly with the spatial arrangement of BaTiO3/CoFe2O4 particulates. The coupled FE governing equations accounting the effect of particle arrangement is presented by incorporating linear coupled constitutive equations of METE composites. Through the condensation technique, the governing equations of METE plates are solved to obtain direct (thermal displacements, electric and magnetic potentials) and derived quantities (stresses, electric displacements and magnetic flux densities). A special attention has been placed on evaluating the pyro-electric and pyro-magnetic coupling effects for different packing arrangement considered namely, Body Centered Cubic (BCC), Face Centered Cubic (FCC) and Simple Cubic (SC) METE particulate composites. Further, parametric studies are carried out to analyse the influence of boundary conditions and aspect ratio. The present study reveals that the multiphysics response of METE plates changes significantly with the packing arrangements of BaTiO3/CoFe2O4 particulates and geometrical parameters. It is believed that the obtained solutions would provide insights into design aspects of METE structures. © 2017 Elsevier LtdItem Influence of coupled fields on free vibration and static behavior of functionally graded magneto-electro-thermo-elastic plate(SAGE Publications Ltd info@sagepub.co.uk, 2018) Mahesh, M.; Sagar, P.J.; Kattimani, S.In this article, the influence of full coupling between thermal, elastic, magnetic, and electric fields on the natural frequency of functionally graded magneto-electro-thermo-elastic plates has been investigated using finite element methods. The contribution of overall coupling effect as well as individual elastic, piezoelectric, piezomagnetic, and thermal phases toward the stiffness of magneto-electro-thermo-elastic plates is evaluated. A finite element formulation is derived using Hamilton’s principle and coupled constitutive equations of magneto-electro-thermo-elastic material. Based on the first-order shear deformation theory, kinematics relations are established and the corresponding finite element model is developed. Furthermore, the static studies of magneto-electro-elastic plate have been carried out by reducing the fully coupled finite element formulation to partially coupled state. Particular attention has been paid to investigate the influence of thermal fields, electric fields, and magnetic fields on the behavior of magneto-electro-elastic plate. In addition, the effect of pyrocoupling on the magneto-electro-elastic plate has also been studied. Furthermore, the effect of geometrical parameters such as aspect ratio, length-to-thickness ratio, stacking sequence, and boundary conditions is studied in detail. The investigation may contribute significantly in enhancing the performance and applicability of functionally graded magneto-electro-thermo-elastic structures in the field of sensors and actuators. © 2017, © The Author(s) 2017.