Y. Inoue¹, R. Kobayashi¹, S. Ogata¹, T. Gotoh¹

CMES-Computer Modeling in Engineering & Sciences, Vol.63, No.2, pp. 137-162, 2010, DOI:10.3970/cmes.2010.063.137

Abstract Vibration of a single graphene and a pair of graphenes at micro meter scale induced by air flow is numerically simulated and examined by using a hybrid computational method starting from a microscopic level of description for the graphene. In order to bridge a huge gap in spatial and time scales in their motions, the carbon atoms of the graphene are represented by a small number of coarse grained particles, the fluid motion is described by the lattice Boltzmann equation and the momentum exchange at the boundary is treated by the time averaged immersed boundary… More >

Hao-Chueh Mai¹, Kuen-Hau Lin¹, Cheng-Hsiu Yang¹, Chao-An Lin^1,2

CMES-Computer Modeling in Engineering & Sciences, Vol.61, No.1, pp. 45-62, 2010, DOI:10.3970/cmes.2010.061.045

Abstract A thermal BGK lattice Boltzmann model for flows with viscous heat dissipation is proposed. In this model, the temperature is solved by a separate thermal distribution function, where the equilibrium distribution function is similar to its hydrodynamic counterpart, except that the leading quantity is temperature. The viscous dissipation rate is obtained by computing the second-order moments of non-equilibrium distribution function, which avoids the discretization of the complex gradient term, and can be easily implemented. The proposed thermal lattice Boltzmann model is scrutinized by computing two-dimensional thermal Poiseuille flow, thermal Couette flow, natural convection in a More >

K. Han¹, Y. T. Feng¹, D. R. J. Owen¹

CMES-Computer Modeling in Engineering & Sciences, Vol.59, No.1, pp. 1-30, 2010, DOI:10.3970/cmes.2010.059.001

Abstract A computational framework is established for effective modelling of fluid-thermal-particle interactions. The numerical procedures comprise the Discrete Element Method for simulating particle dynamics; the Lattice Boltzmann Method for modelling the mass and velocity field of the fluid flow; and the Discrete Thermal Element Method and the Thermal Lattice Boltzmann Method for solving the temperature field. The coupling of the three fields is realised through hydrodynamic interaction force terms. Selected numerical examples are provided to illustrate the applicability of the proposed approach. More >

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 >

Somchai Sriyab¹, Wannapong Triampo²

The International Conference on Computational & Experimental Engineering and Sciences, Vol.13, No.3, pp. 51-52, 2009, DOI:10.3970/icces.2009.013.051

Abstract Understanding of Bacteria cell division is essential for an understanding of microorganism as well as the origin of the life. Particularly, in cell division process of \emph {E. coli}, Min proteins (MinD and MinE) play crucial roles to regulate the dividing dynamics physically via their oscillatory dynamics from pole to pole. In this work, we have developed a numerical scheme based on the mesoscopic Lattice Boltzmann Method (LBM) to simulate the coarse-grained coupled reaction-diffusion equations model used to describe the MinD/MinE interaction in two dimensions. Biologically, we have focused on investigating how the protein copies More >

Waipot Ngamsaad, Wannapong Triampo¹

The International Conference on Computational & Experimental Engineering and Sciences, Vol.13, No.2, pp. 49-50, 2009, DOI:10.3970/icces.2009.013.049

Abstract The Min-proteins oscillation in \emph {E. coli} has an essential role in controlling the accuracy placement of cell-division septum at the middle cell zone of the bacteria. This biochemical process has been successfully described by a set of reaction-diffusion equation at the macroscopic level [1]. Recently, a mesoscopic modeling by the lattice Boltzmann method (LBM) has been proposed to simulate the Min-proteins oscillation [2]. However, as pointed out by Zhang et al., the standard boundary conditions are not accuracy for a class of dispersion transport modeled by LBM [3]. In this present work, we investigated More >

Sudib K. Mishra¹, J. K. Paik², S. N. Atluri¹

CMES-Computer Modeling in Engineering & Sciences, Vol.50, No.1, pp. 67-96, 2009, DOI:10.3970/cmes.2009.050.067

Abstract We present a simulation based study, by combining several models involving multiple time scales and physical processes, which govern the interfacial stress corrosion cracking (SCC) in grain boundaries, layered composites or bi-materials, and the mechanisms of inhibition using `smart' agents. The inhibiting agents described herein, automatically sense the initiation of damage, migrate to the sites and delay the corrosion kinetics involved in the process. The phenomenon of SCC is simulated using the lattice spring model (for the mechanical stresses), coupled with a finite difference model of diffusing species, causing the dissolution of the interfacial bonds.… More >

Tai-Ming Chang¹, Chien-Chou Weng¹, Mei-Jiau Huang^1,2, Chun-KaiLiu², Chih-Kuang Yu²

CMES-Computer Modeling in Engineering & Sciences, Vol.50, No.1, pp. 47-66, 2009, DOI:10.3970/cmes.2009.050.047

Abstract We employ the non-equilibrium molecular dynamics (NEMD) simulation to calculate the in-plane thermal conductivity of silicon thin films of thickness 2.2nm and 11nm. To eliminate the finite-size effect, samples of various lengths are simulated and an extrapolation technique is applied. To perform the quantum correction which is necessary as the MD simulation temperature is lower than Debye temperature, the confined phonon spectra are obtained in advance via the EMD simulations. The investigation shows the thermal conductivities corrected based on the bulk and thin-film phonon densities of states are very close and they agree excellently with More >

Chih-Fung Ho¹, Cheng Chang¹, Kuen-Hau Lin¹, Chao-An Lin^1,2

CMES-Computer Modeling in Engineering & Sciences, Vol.44, No.2, pp. 137-156, 2009, DOI:10.3970/cmes.2009.044.137

Abstract Consistent formulations of 2D and 3D pressure and velocity boundary conditions along both the stationary and non-stationary plane wall and corner for lattice Boltzmann simulations are proposed. The unknown distribution functions are made function of local known distribution functions and correctors, where the correctors at the boundary nodes are obtained directly from the definitions of density and momentum. This boundary condition can be easily implemented on the wall and corner boundary using the same formulation. Discrete macroscopic equation is also derived for steady fully developed channel flow to assess the effect of the boundary condition… More >

Ahmed Mezrhab¹, Hassan Naji²

FDMP-Fluid Dynamics & Materials Processing, Vol.5, No.3, pp. 283-296, 2009, DOI:10.3970/fdmp.2009.005.283

Abstract The objective of this paper is to assess the effectiveness of the coupled Lattice Boltzmann Equation (LBE) and finite volume method strategy for the simulation of the interaction between thermal radiation and laminar natural convection in a differentially heated square cavity. The vertical walls of the cavity are adiabatic, while its top and bottom walls are cold and hot, respectively. The air velocity is determined by the lattice Boltzmann equation and the energy equation is discretized by using a finite volume method. The resulting systems of discretized equations have been solved by an iterative procedure More >