Tsung-Yu Huang¹, Wen-Hwa Chen^1,2

CMES-Computer Modeling in Engineering & Sciences, Vol.85, No.6, pp. 521-542, 2012, DOI:10.3970/cmes.2012.085.521

Abstract A rigorous three-dimensional analysis model is established to calculate the restoring force and restoring torque for the self-alignment of the micropart with the binding site in solution using the Surface Evolver Program, which is developed for analyzing the liquid formation due to surface tension and other energies. The motions of the micropart studied include translation, compression, yawing and rolling, respectively. More >

Roman Chapko¹, B. Tomas Johansson²

CMES-Computer Modeling in Engineering & Sciences, Vol.85, No.2, pp. 105-128, 2012, DOI:10.3970/cmes.2012.085.105

Abstract We consider a Cauchy problem for the Laplace equation in a 3-dimen -sional semi-infinite domain that contains a bounded inclusion. The canonical situation is the upper half-space in I\tmspace -.1667em R3 containing a bounded smooth domain. The function value of the solution is specified throughout the plane bounding the upper half-space, and the normal derivative is given only on a finite portion of this plane. The aim is to reconstruct the solution on the surface of the bounded inclusion. This is a generalisation of the situation in Chapko and Johansson (2008) to three-dimensions and with Cauchy data only partially given.… More >

Che-Wun Hong^1,2, Wei-Hui Chen¹

CMES-Computer Modeling in Engineering & Sciences, Vol.72, No.3, pp. 211-228, 2011, DOI:10.3970/cmes.2011.072.211

Abstract This paper intends to use semiconductor quantum dots (cadmium sulphide- CdS) and/or biological pigments (chlorophyll-a derivatives) to replace those expensive ruthenium (Ru) dyes in photoelectrochemical solar cells. Based on the computational quantum chemistry, the molecular structures of (CdS)_n (n=1 ~ 22) clusters and chlorophyll-a derivatives (chlorin-H₃⁺ and chlorin-H₁₇⁺) are configured and optimized. Density functional theory (DFT) of the first principles calculations, which chose B3LYP (Becke 3-parameter Lee-Yang-Parr) and PBE (Perdew-Burke- Ernzerhof) exchange correlation functionals, is employed. Photoelectric properties, such as: molecular orbital, density of state (DOS), highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) and resultant band gaps… More >

Shueei-Muh Lin ¹

CMES-Computer Modeling in Engineering & Sciences, Vol.72, No.1, pp. 17-36, 2011, DOI:10.3970/cmes.2011.072.017

Abstract In this study, examine the in-plane vibration of a robot arm picking and placing a mass along arbitrary curved tracking. This mathematical model is established. It is a moving mass problem. Due to the effect of movement along arbitrary curved tracking, the corresponding differential equation is nonlinear with the time-dependent coefficients and non-homogenous boundary conditions. So far, a few literatures devoted to investigate this system due to its complexity. The solution method procedure for this system is presented. It integrates several methods as the transform of variable, the subsection method, the mode superposition method, and the Green function method. Meanwhile,… More >

Foued Derraz¹, Laurent Peyrodie², Antonio PINTI³, Abdelmalik Taleb-Ahmed³, Azzeddine Chikh⁴, Patrick Hautecoeur⁵

CMES-Computer Modeling in Engineering & Sciences, Vol.67, No.2, pp. 95-118, 2010, DOI:10.3970/cmes.2010.067.095

Abstract We propose a new semi-automatic segmentation based Active Contour Model and statistic prior knowledge of Multiple Sclerosis (MS) Lesions in Regions Of Interest (RIO) within brain Magnetic Resonance Images(MRI). Reliable segmentation of MS lesion is important for at least three types of practical applications: pharmaceutical trails, making decision for drug treatment, patient follow-up. Manual segmentation of the MS lesions in brain MRI by well qualified experts is usually preferred. However, manual segmentation is hard to reproduce and can be highly cost and time consuming in the presence of large volume of MRI data. In other hand, automated segmentation methods are… More >

Shueei-Muh Lin¹

CMES-Computer Modeling in Engineering & Sciences, Vol.60, No.1, pp. 95-114, 2010, DOI:10.3970/cmes.2010.060.095

Abstract In this study, the mathematical model of double-beams assembly subjected to the a.c. electrostatic force is established. This is helpful for designing sensors and actuators. The boundary condition of this system is nonlinear and time-dependent. Obviously, this system is very complicated. A new solution method is here developed to derive the analytical solution. Because the a.c. electrostatic force includes the static and harmonic forces, the system is divided into the nonlinear static and dynamic subsystems. The exact static solution is presented. In the other hand, the boundary conditions of the dynamic subsystem are nonlinear and time-dependent. First, using the balanced… More >

J.T. Zhou¹, Q.W. Ma^1,2

CMES-Computer Modeling in Engineering & Sciences, Vol.56, No.2, pp. 179-210, 2010, DOI:10.3970/cmes.2010.056.179

Abstract In this paper, the Meshless Local Petrov-Galerkin method based on Rankine source solution (MLPG_R) is further developed to model 3D breaking waves. For this purpose, the technique for identifying free surface particles called Mixed Particle Number Density and Auxiliary Function Method (MPAM) and the semi-analytical technique for estimating the domain integrals for 2D cases are extended to 3D cases. In addition, a new semi-analytical technique is developed to deal with the local spherical surface integrals. The numerical results obtained by the newly developed method will be compared with experimental data available in literature and satisfactory agreement will be shown. More >

Itsuo Hanasaki, Hirofumi Shintaku, Satoshi Matsunami, Satoyuki Kawano¹

CMES-Computer Modeling in Engineering & Sciences, Vol.46, No.2, pp. 191-208, 2009, DOI:10.3970/cmes.2009.046.191

Abstract Self-assembly is one of the physical phenomena that are promising for the manufacturing process of the devices on which DNA molecules are mounted as the components. We have conducted a structural study of self-assembled poly(dA)\discretionary poly(dT) DNA networks on mica surface to discuss the design requirements. The results indicate that the network formation process consists of the adsorption and the subsequent coarsening. The final form of the component filaments are roughly straight. These characteristics imply the possible tensile loads during the network formation. Therefore, we have conducted molecular dynamics simulations of tensile tests of a short DNA fragment to elucidate… More >

Mei-Jiau Huang¹, Tung-Chun Tsai¹, Liang-Chun Liu^1,2, Ming-shan Jeng², Chang-Chung Yang²

CMES-Computer Modeling in Engineering & Sciences, Vol.42, No.2, pp. 107-130, 2009, DOI:10.3970/cmes.2009.042.107

Abstract We develop a Monte-Carlo simulator for phonon transport in nanostructured semiconductors, which solves the phonon Boltzmann transport equation under the gray medium approximation. Proper physical models for the phonon transmission/reflection at an interface between two different materials and proper numerical boundary conditions are designed and implemented carefully. Most of all, we take advantage of geometric symmetry that exists in a system to reduce the computational amount. The validity and accuracy of the proposed MC solver was successfully verified via a 1D transient conduction problem and the cross-plane (1D) and in-plane (2D) phonon transport problems associated with Si/Ge superlattice thin films. More >

L. Mai-Cao¹, T. Tran-Cong²

CMES-Computer Modeling in Engineering & Sciences, Vol.31, No.3, pp. 157-188, 2008, DOI:10.3970/cmes.2008.031.157

Abstract This paper presents a new meshless numerical approach to solving a special class of moving interface problems known as the passive transport where an ambient flow characterized by its velocity field causes the interfaces to move and deform without any influences back on the flow. In the present approach, the moving interface is captured by the level set method at all time as the zero contour of a smooth function known as the level set function whereas one of the two new meshless schemes, namely the SL-IRBFN based on the semi-Lagrangian method and the Taylor-IRBFN scheme based on Taylor series… More >