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  • Open Access

    ARTICLE

    Some Topological Indices Computing Results If Archimedean Lattices L(4,6,12)

    Kang Qiong1,*, Xinting Li2

    CMC-Computers, Materials & Continua, Vol.58, No.1, pp. 121-133, 2019, DOI:10.32604/cmc.2019.03723

    Abstract The introduction of graph-theoretical structure descriptors represents an important step forward in the research of predictive models in chemistry and falls within the lines of the increasing use of mathematical and computational methods in contemporary chemistry. The basis for these models is the study of the quantitative structure-property and structure-activity relationship. In this paper, we investigate Great rhom-bitrihexagonal which is a kind of dodecagon honeycomb net-work covered by quadrangle and hexagon. Many topological indexes of Great rhom-bitrihexagonal have being investigated, such as sum-connectivity index, atom-bond connectivity index, geometric-arithmetic index, fifth, harmonic index, Randić connectivity index, More >

  • Open Access

    ARTICLE

    A Model to Describe the Fracture of Porous Polygranular Graphite Subject to Neutron Damage and Radiolytic Oxidation

    G. Smith1, E. Schlangen2, P.E.J. Flewitt3, A.G. Crocker4, A. Hodgkins5

    CMC-Computers, Materials & Continua, Vol.51, No.3, pp. 163-185, 2016, DOI:10.3970/cmc.2016.051.163

    Abstract Two linked models have been developed to explore the relationship between the amount of porosity arising in service from both radiolytic oxidation and fast neutron damage that influences both the strength and the force-displacement (load-displacement) behaviour and crack propagation in pile grade A graphite used as a nuclear reactor moderator material. Firstly models of the microstructure of the porous graphite for both unirradiated and irradiated graphite are created. These form the input for the second stage, simulating fracture in lattice-type finite element models, which predicts force (load)-displacement and crack propagation paths. Microstructures comprising aligned filler More >

  • Open Access

    ARTICLE

    Analytical Treatment of the Isotropic and Tetragonal Lattice Green Functions for the Face-centered Cubic, Body-centered Cubic and Simple Cubic Lattices

    B.A. Mamedov1

    CMC-Computers, Materials & Continua, Vol.43, No.2, pp. 87-96, 2014, DOI:10.3970/cmc.2014.043.087

    Abstract In this paper, we propose an efficient method to calculate the isotropic and tetragonal lattice Green functions for the face-centered cubic (FCC), bodycentered cubic (BCC) and simple cubic (SC) lattices. The method is based on binomial expansion theorems, which provide us with analytical formulae through basic integrals. The resulting series present better convergence rates. Several acceleration techniques are combined to further improve the efficiency of the established formulas. The obtained results for the lattice Green functions are in good agreement with the known numerical calculation results. More >

  • Open Access

    ARTICLE

    Lattice Dynamics and Second and Third Order Elastic Constants of Iron at Elevated Pressures

    Hieu H. Pham1, Tahir Ça ˇgın1

    CMC-Computers, Materials & Continua, Vol.16, No.2, pp. 175-194, 2010, DOI:10.3970/cmc.2010.016.175

    Abstract We analyze the lattice dynamics of Fe in different crystal phases (bcc, fcc and hcp) by using density-functional theory. The study on equations of states indicates that bcc Fe is more stable than fcc and hcp Fe at low pressures. However, dynamical instabilities in lattice vibrations of bcc Fe predict a phase transformation from bcc to hcp at higher pressures. We reported a complete set of second-order and third-order elastic constants of Fe in these three phases. We observed a linear variation in the values of second order elastic constant as a function of increased More >

  • Open Access

    ARTICLE

    A Direct Forcing Immersed Boundary Method Based Lattice Boltzmann Method to Simulate Flows with Complex Geometry

    Cheng-Hsiu Yang1, Cheng Chang1, Chao-An Lin1,2

    CMC-Computers, Materials & Continua, Vol.11, No.3, pp. 209-228, 2009, DOI:10.3970/cmc.2009.011.209

    Abstract In the present study, a lattice Boltzmann method based new immersed boundary technique is proposed for simulating two-dimensional viscous incompressible flows interacting with stationary and moving solid boundaries. The lattice Boltzmann method with known force field is used to simulate the flow where the complex geometry is immersed inside the computational domain. This is achieved via direct-momentum forcing on a Cartesian grid by combining "solid-body forcing" at solid nodes and interpolation on neighboring fluid nodes. The proposed method is examined by simulating decaying vortex, 2D flow over an asymmetrically placed cylinder, and in-line oscillating cylinder More >

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