W.H. Chen¹, C.W. Hong^1,2

CMC-Computers, Materials & Continua, Vol.21, No.2, pp. 147-170, 2011, DOI:10.3970/cmc.2011.021.147

Abstract Nanorod/nanowell/nanotube arrays are effective nanotechnologies that can increase the performance of a photo-electrochemical solar cell by increasing the reaction area of the working electrode. However, the confined space due to the nano-arrays also tends to decrease the redox ion diffusivity. This paper describes computer modeling on the ionic diffusion of the active species (I-/I3-) among the nano-arrays of the working electrode material (TiO2). A three dimensional periodic boundary molecular dynamics simulation technique is employed to simulate the nano-scale transport phenomenon. Performance improvement tendency can be evaluated from the Butler-Volmer equation. Simulation results reveal that the increasing reaction area times the… More >

X.P. Shen, A. Diaz¹, T. Sheehy²

CMC-Computers, Materials & Continua, Vol.20, No.3, pp. 205-224, 2010, DOI:10.3970/cmc.2010.020.205

Abstract This paper presents a case study for the design of a mud-weight window (MWW) with three-dimensional (3-D), finite-element (FE) tools for subsalt wells. The trajectory of the target well penetrates a 7 km thick salt body. A numerical scheme has been proposed for calculating the shear failure gradient (SFG) and fracture gradient (FG) with 3-D FE software. User subroutines have been developed to address non-uniform pore-pressure distribution. A series of FE calculations were performed to obtain the MWW of the target wellbore, which consists of the SFG and FG for the subsalt sections. Although no reverse faulting structure exists in… More >

Haofeng Chen¹

CMC-Computers, Materials & Continua, Vol.20, No.2, pp. 159-184, 2010, DOI:10.3970/cmc.2010.020.159

Abstract In this paper a state-of-the-art numerical method is discussed for the evaluation of the shakedown and ratchet limits for an elastic-perfectly plastic body subjected to cyclic thermal and mechanical load history. The limit load or collapse load, i.e. the load carrying capacity, is also determined as a special case of shakedown analysis. These design limits in plasticity have been solved by characterizing the steady cyclic state using a general cyclic minimum theorem. For a prescribed class of kinematically admissible inelastic strain rate histories, the minimum of the functional for these design limits are found by a programming method, the Linear… More >

Richard K. F. Lee¹, James M. Hill²

CMC-Computers, Materials & Continua, Vol.20, No.1, pp. 85-100, 2010, DOI:10.3970/cmc.2010.020.085

Abstract In this study, we investigate the mechanics of a metallofullerene shuttle memory device, comprising a metallofullerene which is located inside a closed carbon nanotube. The interaction energy for the system is obtained from the 6-12 Lennard-Jones potential using the continuum approximation, which assumes that a discrete atomic structure can be replaced by an average atomic surface density. This approach shows that the system has two equal minimum energy positions, which are symmetrically located close to the tube extremities, and therefore it gives rise to the possibility of being used as a two-state memory device. On one side the encapsulated metallofullerene… More >

Fangyi Li¹, Guangyao Li^2,3, Guangyong Sun², Zhen Luo⁴, Zheng Zhang²

CMC-Computers, Materials & Continua, Vol.19, No.1, pp. 37-56, 2010, DOI:10.3970/cmc.2010.019.037

Abstract The focus of this paper is concentrated on multi-disciplinary and multi-objective optimization for thin walled beam systems considering safety, normal mode, static loading-bearing and weight, in which the uncertainties of the parameters are described via intervals. The size and shape of the cross-section are treated as design parameters during optimization. Considering the lightweight and safety, the design problem is formulated with two individual objectives to measure structural weight and maximum energy absorption, respectively, constrained by the average force, normal mode and maximum stress. The optimization problem with uncertainties is further transformed into a deterministic optimization based on interval number programming.… More >

E. Hayward¹, C. Deo¹

CMC-Computers, Materials & Continua, Vol.16, No.2, pp. 101-116, 2010, DOI:10.3970/cmc.2010.016.101

Abstract Damage cascades representative of those that would be induced by neutron irradiation have been simulated in systems of pure iron and iron containing 0.01 at.% hydrogen. Results from molecular dynamics simulations using three different embedded-atom method (EAM) type potentials are compared for primary knock-on atom energies of 5, 10, and 20 keV to assess the effect of hydrogen on the primary damage state. We examine the influence of hydrogen on the primary damage state due to a single radiation cascade. These results can serve as an atomistic database for methods and simulations for long time scale evolution of radiation damage. More >

F.Y.Li^1,2, G.Y.Li¹

CMC-Computers, Materials & Continua, Vol.15, No.3, pp. 199-220, 2010, DOI:10.3970/cmc.2010.015.199

Abstract In this paper, an uncertain multi-objective optimization method is suggested to deal with crashworthiness design problem of vehicle, in which the uncertainties of the parameters are described by intervals. Considering both lightweight and safety performance, structural weight and peak acceleration are selected as objectives. The occupant distance is treated as constraint. Based on interval number programming method, the uncertain optimization problem is transformed into a deterministic optimization problem. The approximation models are constructed for objective functions and constraint based on Latin Hypercube Design (LHD). Thus, the interval number programming method is combined with the approximation model to solve the uncertain… More >

C.M. Hefferan¹, S.F. Li¹, J. Lind¹, U. Lienert², A.D. Rollett³, P. Wynblatt³, R.M. Suter^1,3

CMC-Computers, Materials & Continua, Vol.14, No.3, pp. 209-220, 2009, DOI:10.3970/cmc.2009.014.209

Abstract We have measured and reconstructed via forward modeling a small volume of microstructure of high purity, well annealed nickel using high energy x-ray diffraction microscopy (HEDM). Statistical distributions characterizing grain orientations, intra-granular misorientations, and nearest neighbor grain misorientations are extracted. Results are consistent with recent electron backscatter diffraction measurements. Peaks in the grain neighbor misorientation angle distribution at 60 degrees (∑3) and 39 degrees (∑9) have resolution limited widths of ≈ 0.14 degree FWHM. The analysis demonstrates that HEDM can recover grain and grain boundary statistics comparable to OIM volume measurements; more extensive data sets will lead to full, five… More >

J.A.Ferreira^1,2, P. de Oliveira², P. da Silva³, D. M. G. Comissiong⁴

CMC-Computers, Materials & Continua, Vol.13, No.1, pp. 17-48, 2009, DOI:10.3970/cmc.2009.013.017

Abstract A phenomenological formulation is adopted to investigate desorption in polymers. The speed of the front is studied and the well-posedness of the general model is analyzed. Numerical simulations illustrating the dynamics of the desorption process described by the proposed model are included. More >

Dein Shaw^1,2, Chih-Ren Huang², Li-Cheng Huang²

CMC-Computers, Materials & Continua, Vol.11, No.3, pp. 229-242, 2009, DOI:10.3970/cmc.2009.011.229

Abstract In this study, a method for designing an in-plane, free-form, beam-type spring for use in a lower-limb orthosis was developed. A spring designed by this method follows a predefined relationship between loading and displacement. To facilitate the analysis of the spring, it was divided into several beam segments. The stiffness equations related to loading (including moment and force) and displacements (linear and rotation) of each beam segment were found to follow a modified (non-linear) Castigliano's second theorem (NCST) and were assembled by using the continuity of nodal points of neighbouring curve segments. Using the proposed method, a spring designer can… More >