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  • Open Access

    ARTICLE

    A 3-D Coarser-Grained Computational Model for Simulating Large Protein Dynamics

    Jae-In Kim1, Hyoseon Jang2, Jeong-Hee Ahn3, Kilho Eom4, Sungsoo Na5

    CMC-Computers, Materials & Continua, Vol.9, No.2, pp. 137-152, 2009, DOI:10.3970/cmc.2009.009.137

    Abstract Protein dynamics is essential for gaining insight into biological functions of proteins. Although protein dynamics is well delineated by molecular model, the molecular model is computationally prohibited for simulating large protein structures. In this work, we provide the three-dimensional coarser-grained anisotropic model (CGAM), which is based on model reduction applicable to large protein structures. It is shown that CGAM achieves the fast computation on low-frequency modes, quantitatively comparable to original structural model such as elastic network model (ENM). This indicates that the CGAM by model reduction method enable us to understand the functional motion of More >

  • Open Access

    ARTICLE

    Interface Crack Problems in Anisotropic Solids Analyzed by the MLPG

    J. Sladek1, V. Sladek1, M. Wünsche2, Ch. Zhang2

    CMES-Computer Modeling in Engineering & Sciences, Vol.54, No.2, pp. 223-252, 2009, DOI:10.3970/cmes.2009.054.223

    Abstract A meshless method based on the local Petrov-Galerkin approach is proposed, to solve the interface crack problem between two dissimilar anisotropic elastic solids. Both stationary and transient mechanical and thermal loads are considered for two-dimensional (2-D) problems in this paper. A Heaviside step function as the test functions is applied in the weak-form to derive local integral equations. Nodal points are spread on the analyzed domain, and each node is surrounded by a small circle for simplicity. The spatial variations of the displacements and temperature are approximated by the Moving Least-Squares (MLS) scheme. After performing More >

  • Open Access

    ARTICLE

    Elastic analysis in 3D anisotropic functionally graded solids by the MLPG

    J. Sladek1, V. Sladek1, P. Solek2

    CMES-Computer Modeling in Engineering & Sciences, Vol.43, No.3, pp. 223-252, 2009, DOI:10.3970/cmes.2009.043.223

    Abstract A meshless method based on the local Petrov-Galerkin approach is proposed for solution of static and elastodynamic problems in 3-D continuously non-homogeneous anisotropic bodies. Functionally graded materials (FGM) are multi-phase materials with the phase volume fractions varying gradually in space, in a pre-determined profile. The Heaviside step function is used as the test functions in the local weak form resulting into the derived local integral equations (LIEs). For transient elastodynamic problems either the Laplace transform or the time difference techniques are applied. Nodal points are randomly distributed in the 3D analyzed domain and each node More >

  • Open Access

    ARTICLE

    Stress Analysis of 3D Generally Anisotropic Elastic Solids Using the Boundary Element Method

    C. L. Tan1, Y.C. Shiah2, C.W. Lin2

    CMES-Computer Modeling in Engineering & Sciences, Vol.41, No.3, pp. 195-214, 2009, DOI:10.3970/cmes.2009.041.195

    Abstract The explicit, closed-form expressions of the Green's functions for generally anisotropic elastic solids in three-dimensions that have been derived using Stroh's formalism are employed in a formulation of the boundary element method (BEM). Unlike several other existing schemes, the evaluation of these fundamental solutions does not require further numerical integration in the BEM algorithm; they have surprisingly not been implemented previously. Three numerical examples are presented to demonstrate the veracity of the implementation and the general applicability of the BEM for the 3D elastic stress analysis of generally anisotropic solids. The results are compared with More >

  • Open Access

    ARTICLE

    An Alternating Iterative MFS Algorithm for the Cauchy Problem in Two-Dimensional Anisotropic Heat Conduction

    LiviuMarin 1

    CMC-Computers, Materials & Continua, Vol.12, No.1, pp. 71-100, 2009, DOI:10.3970/cmc.2009.012.071

    Abstract In this paper, the alternating iterative algorithm originally proposed by Kozlov, Maz'ya and Fomin (1991) is numerically implemented for the Cauchy problem in anisotropic heat conduction using a meshless method. Every iteration of the numerical procedure consists of two mixed, well-posed and direct problems which are solved using the method of fundamental solutions (MFS), in conjunction with the Tikhonov regularization method. For each direct problem considered, the optimal value of the regularization parameter is chosen according to the generalized cross-validation (GCV) criterion. An efficient regularizing stopping criterion which ceases the iterative procedure at the point More >

  • Open Access

    ARTICLE

    Interfaces Between two Dissimilar Elastic Materials

    Chyanbin Hwu1, T.L. Kuo, Y.C. Chen

    CMC-Computers, Materials & Continua, Vol.11, No.3, pp. 165-184, 2009, DOI:10.3970/cmc.2009.011.165

    Abstract In this paper the near tip solutions for interface corners written in terms of the stress intensity factors are presented in a unified expression. This single expression is applicable for any kinds of interface corners including corners and cracks in homogeneous materials as well as interface corners and interface cracks lying between two dissimilar materials, in which the materials can be any kinds of linear elastic anisotropic materials or piezoelectric materials. Through this unified expression of near tip solutions, the singular orders of stresses and their associated stress/electric intensity factors for different kinds of interface More >

  • Open Access

    ARTICLE

    Boundary Element Analysis of Cracked Thick Plates Repaired with Adhesively Bonded Composite Patches

    J. Useche, P. Sollero, E.L. Albuquerque1, L. Palermo2

    Structural Durability & Health Monitoring, Vol.4, No.2, pp. 107-116, 2008, DOI:10.3970/sdhm.2008.004.107

    Abstract The fracture analysis of cracked thick plates repaired with adhesively bonded composite patches using a boundary element formulation is presented. The shear deformable cracked isotropic plate was modeled using the dual boundary method. In order to model the repair, a three parameter boundary element formulation was established. This formulation is based on Kirchhoff's theory for symmetric layer composite plates and considers the transversal deflection and two in-plane rotations. Interaction forces and moments between the cracked plate and the composite repair were modeled as distributed loading, and discretized using continuous and semi-discontinuous domain cells. Coupling equations, More >

  • Open Access

    ABSTRACT

    Modal Analysis Technique for Anisotropic Composite Laminates

    G.M. Mota1, P. Sollero1, F.B. Batista1, E.L. Albuquerque1

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.7, No.2, pp. 95-100, 2008, DOI:10.3970/icces.2008.007.095

    Abstract Nowadays, the experimental modal analysis in composite materials is an important tool in the structural analysis of new designs in aircraft structures. It supplies data on the behavior of these materials and, when associated with numerical methods, it can also be used to identify elastic properties. However, lightweight composite materials demand the use of appropriate techniques and devices. This paper describes an experimental modal analysis technique where the response is measured without physical contact in a large number of points using a Laser Doopler Vibrometer (LDV), and the excitation is carried out on a single More >

  • Open Access

    ARTICLE

    A Variational Formulation of a Stabilized Unsplit Convolutional Perfectly Matched Layer for The Isotropic or Anisotropic Seismic Wave Equation

    R. Martin1, D. Komatitsch1,2, S. D. Gedney3

    CMES-Computer Modeling in Engineering & Sciences, Vol.37, No.3, pp. 274-304, 2008, DOI:10.3970/cmes.2008.037.274

    Abstract In the context of the numerical simulation of seismic wave propagation, the perfectly matched layer (PML) absorbing boundary condition has proven to be efficient to absorb surface waves as well as body waves with non grazing incidence. But unfortunately the classical discrete PML generates spurious modes traveling and growing along the absorbing layers in the case of waves impinging the boundary at grazing incidence. This is significant in the case of thin mesh slices, or in the case of sources located close to the absorbing boundaries or receivers located at large offset. In previous work… More >

  • Open Access

    ARTICLE

    Evaluation of Explicit-form Fundamental Solutions for Displacements and Stresses in 3D Anisotropic Elastic Solids

    Y. C. Shiah1, C. L. Tan2, V.G. Lee3

    CMES-Computer Modeling in Engineering & Sciences, Vol.34, No.3, pp. 205-226, 2008, DOI:10.3970/cmes.2008.034.205

    Abstract The main impediment to the development of efficient algorithms for the stress analysis of 3D generally anisotropic elastic solids using the boundary element method (BEM) and the local boundary integral equation (LBIE) meshless method over the years is the complexity of the fundamental solutions and the computational burden to evaluate them. The ability to analytically simplify and reduce them into as explicit a form as possible so that they can be directly computed will offer significant cost savings. In addition, they facilitate easy implementation using existing numerical algorithms with the above-mentioned methods that have been More >

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