EMG Yadava Womens College

Madurai, India

EMG Yadava Womens College

Madurai, India
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Rajeswarapalanichamy R.,Nmssvn College | Priyanga G.S.,Nmssvn College | Kavitha M.,Nmssvn College | Puvaneswari S.,Emg Yadava Womens College | Iyakutti K.,SRM University
Journal of Physics and Chemistry of Solids | Year: 2014

Ab initio calculations are performed to investigate the structural stability, electronic, structural and mechanical properties of 4d transition metal nitrides TMN (TM=Ru, Rh, Pd) for five different crystal structures, namely NaCl, CsCl, zinc blende, NiAs and wurtzite. Among the considered structures, zinc blende structure is found to be the most stable one among all three nitrides at normal pressure. A structural phase transition from ZB to NiAs phase is predicted at a pressure of 104 GPa, 50.5 GPa and 56 GPa for RuN, RhN and PdN respectively. The electronic structure reveals that these nitrides are metallic. The calculated elastic constants indicate that these nitrides are mechanically stable at ambient condition. © 2014 Elsevier Ltd.


Rajeswarapalanichamy R.,Nmssvn College | Sudha Priyanga G.,Nmssvn College | Puvaneswari S.,Emg Yadava Womens College | Iyakutti K.,SRM University
International Journal of Refractory Metals and Hard Materials | Year: 2015

The structural stability, electronic structure and mechanical properties of platinum group metal nitrides PGMN (PGM = Os, Ir, Pt) are investigated using the first principles calculation. The structural stability is analyzed among six different crystal structures namely, NaCl, CsCl, zinc blende, NiAs, WC and wurtzite structures. The zinc blende structure is found to be the most stable one for all the three nitrides at normal pressure. A structural phase transition from zinc blende to the NiAs structure is predicted at the pressures of 71 GPa, 41 GPa and 24 GPa for OsN, IrN and PtN respectively. The electronic structure reveals that these nitrides are metallic. The high bulk modulus values of OsN, IrN and PtN indicate that these metal nitrides are super hard materials. Moreover, a positive value of calculated Cauchy pressure and a high B/G value predict that these materials are ductile in nature. The Debye temperature values are also reported for these nitrides. © 2014 Elsevier Ltd. All rights reserved.


Rajeswarapalanichamy R.,Nmssvn College | Sudha Priyanga G.,Nmssvn College | Kavitha M.,Nmssvn College | Puvaneswari S.,Emg Yadava Womens College | Iyakutti K.,SRM University
International Journal of Refractory Metals and Hard Materials | Year: 2014

Ab initio calculations are performed to investigate the structural stability, electronic structure and elastic properties of noble metal sub-nitrides M2N (M = Ru, Rh, Pd). The metal nitrides, Ru 2N and Rh2N are found to be stable in anti-fluorite structure, whereas Pd2N is stable in tetragonal structure. In Ru 2N and Rh2N, structural phase transition is predicted from antifluorite to orthorhombic phase whereas tetragonal to antifluorite and then antifluorite to pyrite phase transitions are predicted in Pd2N under high pressure. The electronic structure reveals that these nitrides are metallic. The calculated elastic constants indicate that these materials are mechanically stable at ambient condition. The Debye temperature values are reported for all the phases of these nitrides. The high bulk modulus indicates that these materials are super hard materials. They are ductile in nature at normal and high pressures. The bonding nature of these materials is found to be a mixture of covalent, metallic and ionic attribution at ambient condition. © 2014 Elsevier Ltd.


Sumathi P.,EMG Yadava Womens College | Vani M.P.,Vellore Institute of Technology
Advanced Materials Research | Year: 2011

Book issue and return tracking system is a database application. The main aim of this paper is to do all kind of transactions and to store the information of books and students and to retrieve all information and students should make use of all the books present in the library thereby various department students should get satisfaction. Here the code is generated making use of OpenESQL using Micro Focus Net Express 5.1 embedded in COBOL The Open ESQL is an interactive tool that makes it easy to Prototype SQL SELECT statements and test them against database Design SQL INSERT, UPDATE, and DELETE statements It inserts SQL queries into COBOL code and creates auxiliary code into COBOL code. © (2011) Trans Tech Publications.


Puvaneswari S.,Emg Yadava Womens College | Rajeswarapalanichamy R.,Nmss Vellaichamy Nadar College | Sudha Priyanga G.,Nmss Vellaichamy Nadar College
Materials Chemistry and Physics | Year: 2015

The structural stability, electronic structure, elastic and superconducting properties of noble metal nitrides MN2 (M = Ru, Rh, Pd) are investigated in tetragonal (P4/mbm), fluorite (Fm3m), orthorhombic (Pnnm), pyrite (Pa-3) and hexagonal (P6/mmm) phases using first principles calculations. The calculated lattice parameters are in good agreement with other theoretical results. Among the considered structures, RhN2 and PdN2 are found to be most stable in tetragonal structure, whereas RuN2 is stable in fluorite structure. A sequence of structural phase transition is predicted under high pressure in these metal nitrides. The electronic structure reveals that these nitrides are metallic. These metal nitrides are found to be covalent, ionic and metallic in the stable phase. The observations show that these metal nitrides are mechanically stable at ambient condition. The superconducting transition temperatures for RuN2, RhN2 and PdN2 are found to be 1.65 K, 5.01 K and 8.7 K respectively. © 2014 Elsevier B.V. All rights reserved.

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