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  • Open Access

    ARTICLE

    Tuning Intermolecular Interaction Between Lignin and Carbon Nanotubes in Fiber Composites – A Combined Experimental and Ab-InitioModeling Study

    Jan Badorrek1,2, Michael Walter3,4,*, Marie-Pierre Laborie1,2,*

    Journal of Renewable Materials, Vol.6, No.3, pp. 325-335, 2018, DOI:10.7569/JRM.2017.634183

    Abstract Doping lignin with carbon nanotubes is a promising strategy for cost-effective high-performance carbon fibers. We investigate the intermolecular interaction potential of CNT and organosolv lignin with two main approaches. Experimentally, oxidized purified multiwalled carbon nanotubes (MWCNTs) and beech organosolv lignins and derivatives are analyzed with their Hansen solubility parameters (HSPs) to assess their mutual compatibility. Theoretically, dispersion-corrected density functional theory simulations of the interaction between model molecules and single-walled carbon nanotubes reveal the source of interactions. We find that oxidation enables and enhances the interaction between carbon nanotubes and organosolv lignin experimentally, which is in agreement with the enhanced polar… More >

  • Open Access

    ARTICLE

    A Combined Sensitive Matrix Method and Maximum Likelihood Method for Uncertainty Inverse Problems

    W. Zhang1, X. Han1,2, J. Liu1, Z. H. Tan1

    CMC-Computers, Materials & Continua, Vol.26, No.3, pp. 201-226, 2011, DOI:10.3970/cmc.2011.026.201

    Abstract The uncertainty inverse problems with insufficiency and imprecision in the input and/or output parameters are widely existing and unsolved in the practical engineering. The insufficiency refers to the partly known parameters in the input and/or output, and the imprecision refers to the measurement errors of these ones. In this paper, a combined method is proposed to deal with such problems. In this method, the imprecision of these known parameters can be described by probability distribution with a certain mean value and variance. Sensitive matrix method is first used to transform the insufficient formulation in the input and/or output to a… More >

  • Open Access

    ARTICLE

    A Piecewise Linear Isotropic-Kinematic Hardening Model with Semi-Implicit Rules for Cyclic Loading and Its Parameter Identification

    M. Ohsaki1, T. Miyamura2, J. Y. Zhang3

    CMES-Computer Modeling in Engineering & Sciences, Vol.111, No.4, pp. 303-333, 2016, DOI:10.3970/cmes.2016.111.303

    Abstract A simple constitutive model, called semi-implicit model, for cyclic loading is proposed for steel materials used for structures such as building frames in civil engineering. The constitutive model is implemented in the E-Simulator, which is a software package for large-scale seismic response analysis. The constitutive relation is defined in an algorithmic manner based on the piecewise linear combined isotropic-kinematic hardening. Different rules are used for the first and subsequent loading states to incorporate characteristics such as yield plateau and Bauschinger effect of rolled mild steel materials. An optimization method is also presented for parameter identification from the results of cyclic… More >

  • Open Access

    ARTICLE

    Meshless LocalWeak form Method Based on a Combined Basis Function for Numerical Investigation of Brusselator Model and Spike Dynamics in the Gierer-Meinhardt System

    Mohammad Ilati1, Mehdi Dehghan2

    CMES-Computer Modeling in Engineering & Sciences, Vol.109-110, No.4, pp. 325-360, 2015, DOI:10.3970/cmes.2015.109.325

    Abstract In this paper, at first, a new combined shape function is proposed. Then, based on this shape function, the meshless local weak form method is applied to find the numerical solution of time-dependent non-linear Brusselator and Gierer- Meinhardt systems. The combined shape function inherits the properties of radial point interpolation (RPI), moving least squares (MLS) and moving Kriging (MK) shape functions and is controlled by control parameters, which take different values in the domain [0;1]. The combined shape function provides synchronic use of different shape functions and this leads to more flexibility in the used method. The main aim of… More >

  • Open Access

    ARTICLE

    Large Eddy Simulation Combined with Characteristic-Based Operator-Splitting Finite Element Method

    Da-guo Wang1,2, Bin Hu1, Qing-xiang Shui1

    CMES-Computer Modeling in Engineering & Sciences, Vol.107, No.4, pp. 297-320, 2015, DOI:10.3970/cmes.2015.107.297

    Abstract A numerical large eddy simulation (LES) method combined with the characteristic-based operator-splitting finite element method is proposed. The subgrid eddy viscosity model is used to calculate sub-grid stress in LES. In each time step, the governing equations are split into diffusive and convective parts. The convective part is first discretized by using the characteristic Galerkin method and then solved explicitly. The backward-facing step flow and the flow past a single cylinder are adopted to validate the model. Results agree with existing numerical results or experimental data. The flow past two cylinders in tandem arrangement is also studied at Re =… More >

  • Open Access

    ARTICLE

    On Macroscopic Behaviors of Shape Memory Alloy Thick-walled Cylinder Under Combined Internal Pressure and Radial Temperature Gradient

    Bingfei Liu1, Guansuo Dui2,3, Lijun Xue2, Benming Xie1

    CMES-Computer Modeling in Engineering & Sciences, Vol.94, No.3, pp. 239-260, 2013, DOI:10.32604/cmes.2013.094.239

    Abstract Analytical solutions are derived for the macroscopic behaviors of a Shape Memory Alloy (SMA) thick-walled cylinder subjected to internal pressure and radial temperature gradient. The Tresca transformation criterion and linear hardening are used. Equations are given for the radial and circumferential stresses, transformation strains and martensite volume fractions at both the elastic step and the transformation step. Numerical results are presented and in good agreement with the finite element simulations. More >

  • Open Access

    ARTICLE

    Micromechanics Based Stress-Displacement Relationships of Rough Contacts: Numerical Implementation under Combined Normal and Shear Loading

    Anil Misra1, Shiping Huang1

    CMES-Computer Modeling in Engineering & Sciences, Vol.52, No.2, pp. 197-216, 2009, DOI:10.3970/cmes.2009.052.197

    Abstract The behavior of contact between solid bodies with rough surfaces under combined normal and shear loading remains a problem of interest in many areas of engineering. In this paper, we have utilized a micromechanical methodology to derive an expression of stress-displacement relationship applicable to combined normal and shear loading conditions. The micromechanical methodology considers the mechanics of asperity contacts and the interface roughness in terms of asperity height and asperity contact orientation distribution. A numerical procedure is implemented to evaluate the derived expressions under complex and mixed loading conditions using an incremental approach. We find that the proposed numerical procedure… More >

  • Open Access

    ARTICLE

    An Operator Splitting Approximation Combined With The SUPG Method For Transport Equations With Nonlinear Reaction Term

    O. Baysal1, G. Tanoglu2

    CMES-Computer Modeling in Engineering & Sciences, Vol.84, No.1, pp. 27-40, 2012, DOI:10.3970/cmes.2012.084.027

    Abstract In this work, an operator splitting method is proposed in order to obtain a stable numerical solution for transport equation with non-linear reaction term. We split the transport equation into a reaction part and an advection diffusion part. The former one which becomes a nonlinear ordinary differential equation can be approximated by the simple higher order integrator or solved exactly. The later one is approximated by the Streamline-Upwind Petrov-Galerkin (SUPG) method combined with the generalized Euler time integration (θ-method). Numerical results that illustrate the good performance of this method are reported. More >

  • Open Access

    ARTICLE

    A New Combined Scheme of Discrete Element Method and Meshless Method for Numerical Simulation of Continuum/Discontinuum Transformation

    Li Shan, Ning Cui, Ming Cheng, Kaixin Liu

    CMES-Computer Modeling in Engineering & Sciences, Vol.83, No.4, pp. 353-384, 2012, DOI:10.3970/cmes.2012.083.353

    Abstract In the present paper, a combined scheme of discrete element method (DEM) and meshless method for numerical simulation of impact problems is proposed. Based on the basic principle of continuum mechanics, an axisymmetric DEM framework is established for modeling the elastoplastic behavior of solid materials. Failure criteria are introduced to model the transformation from a continuum to a discontinuum. The friction force between contact elements is also considered after the failure appears. So our scheme can calculate not only the behavior of continuum and discontinuum, but also the transformation process from a continuum to a discontinuum. In addition, a meshless… More >

  • Open Access

    ARTICLE

    On Increasing Computational Efficiency of Local Integral Equation Method Combined with Meshless Implementations

    V. Sladek1, J. Sladek1, Ch. Zhang2

    CMES-Computer Modeling in Engineering & Sciences, Vol.63, No.3, pp. 243-264, 2010, DOI:10.3970/cmes.2010.063.243

    Abstract The paper deals with diminishing the prolongation of the computational time due to procedural evaluation of the shape functions and their derivatives in weak formulations implemented with meshless approximations. The proposed numerical techniques are applied to problems of stationary heat conduction in functionally graded media. Besides the investigation of the computational efficiency also the accuracy and convergence study are performed in numerical tests. More >

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