Home / Advanced Search

  • Title/Keywords

  • Author/Affliations

  • Journal

  • Article Type

  • Start Year

  • End Year

Update SearchingClear
  • Articles
  • Online
Search Results (13)
  • Open Access

    ARTICLE

    Application of Polygonal Finite Elements to Two-Dimensional Mechanical and Electro-Mechanically Coupled Problems

    K. Jayabal1, A. Menzel1,2

    CMES-Computer Modeling in Engineering & Sciences, Vol.73, No.2, pp. 183-208, 2011, DOI:10.3970/cmes.2011.073.183

    Abstract Naturally evolving Voronoi discretisation of two-dimensional plane domains renders representative microstructures that turn out to be useful for the modelling and simulation of polycrystalline materials. Hybrid finite element approaches are employed on such polygonal discretisations to solve, for instance, mechanical and electromechanical problems within a finite element context. In view of solving mechanical problems, varying order of polynomial functions are suggested in the literature to sufficiently approximate stresses within the polygonal finite elements. These are, in addition to the order of the approximation functions for the displacements, characterised by the number of edges in the… More >

  • Open Access

    ARTICLE

    DFT Studies on Ferroelectric Ceramics and Their Alloys: BaTiO3, PbTiO3, SrTiO3, AgNbO3, AgTaO3, PbxBa1-xTiO3 and SrxBa1-xTiO3

    Mustafa Uludoğan1, D. Paula Guarin1, Zully E. Gomez1, Tahir Cagin1, William A. Goddard III2

    CMES-Computer Modeling in Engineering & Sciences, Vol.24, No.2&3, pp. 215-238, 2008, DOI:10.3970/cmes.2008.024.215

    Abstract Aiming at a presentation of the utility of the state of art of first-principles methods (PBE flavor of Density Functional Theory, DFT) in the area of materials science and engineering, we present our studies of the equation of state and ferroelectric-paraelectricphase transition in several ferroelectric systems, including BaTiO3, PbTiO3, SrTiO3, AgNbO3, PbxBa1-xTiO3 and SrxBa1-xTiO3. We also report the Born effective charges, optical dielectric constant, and phonon dispersion relation properties from Density Functional Perturbation Theory. Computed results are compared with other theoretical results (which were mostly on BaTiO3, PbTiO3, cubic SrTiO3 using various approaches, as well as experiments. The studies on More >

  • Open Access

    ARTICLE

    Effects of Dopants on the Mechanical Properties of Nanocrystalline Silicon Carbide Thin Film

    Liming Xiong1, Youping Chen1

    CMES-Computer Modeling in Engineering & Sciences, Vol.24, No.2&3, pp. 203-214, 2008, DOI:10.3970/cmes.2008.024.203

    Abstract This paper presents the application of an atomistic field theory (AFT) in modeling and simulation of boron- , boron/nitrogen and silicon/nitrogen-doped nanocrystalline silicon carbide (B-, BN-, SiN-SiC). Intergranular glassy films (IGFs) and nano-sized pores have been obtained in triple junctions of the grains in nanocrystalline SiC (nc-SiC). Residual tensile stress in the SiC grains and compressive stress in the grain boundaries (GBs) are observed. Under uniaxial tension, the constitutive responses of nanocrystalline SiC were reproduced from the simulations. It is found that the mechanical properties of nanocrystalline SiC are strongly dependent on the compositions of More >

Displaying 11-20 on page 2 of 13. Per Page