L. Gaul, M. Fischer¹, U. Nackenhorst²

CMES-Computer Modeling in Engineering & Sciences, Vol.3, No.6, pp. 815-824, 2002, DOI:10.3970/cmes.2002.003.815

Abstract A sequential FEM--BEM approach is employed to calculate the dynamic behavior and sound radiation of rotating wheels. The equations of motion for the wheel are developed in the frame of an Arbitrary Eulerian Lagrangian description with a time-independent formulation for steady state rolling and a spatial description of vibrations. The noise radiation caused by the vibration modes is computed by the symmetric hybrid boundary element method. More >

D.W. Brenner, O.A. Shenderova, D.A. Areshkin, J.D. Schall¹, S.-J. V. Frankland²

CMES-Computer Modeling in Engineering & Sciences, Vol.3, No.5, pp. 643-674, 2002, DOI:10.3970/cmes.2002.003.643

Abstract The derivation of a bond-order potential energy function and a self-consistent tight-binding scheme is presented, followed by a survey of the application of these methods to calculating properties of carbon nanostructures. The modeling studies discussed include properties of functionalized and kinked carbon nanotubes, Raman shifts for hydrogen stored in nanotubes, nanotubes in a composite, properties of nanotubes in applied potential (electrical) fields, and structures and properties of nanocones, nanodiamond clusters and rods, and hybrid diamond-nanotube structures. More >

George D. Manolis¹, Stavros Pavlou²

CMES-Computer Modeling in Engineering & Sciences, Vol.3, No.3, pp. 399-416, 2002, DOI:10.3970/cmes.2002.003.399

Abstract A free-space Green's function for problems involving time-harmonic elastic waves in variable density materials under plane strain conditions is developed herein by means of Hormander's method in the context of matrix algebra formalism. The challenge when solving problems involving inhomogenous media is that the coefficients appearing in the governing equations of motion are position-dependent. Furthermore, an additional difficulty stems from the fact that these governing equations are vectorial, which implies that coordinate transformation techniques that have been successful with scalar waves can no longer be used. Thus, the present work aims at establishing the necessary More >

Chengyu Wei^{1, 2}, Deepak Srivastava ², Kyeongjae Cho¹

CMES-Computer Modeling in Engineering & Sciences, Vol.3, No.2, pp. 255-262, 2002, DOI:10.3970/cmes.2002.003.255

Abstract The temperature dependence of the plastic collapse of single-wall carbon nanotubes under axial compression has been studied with classical molecular dynamics simulations using Tersoff-Brenner potential for C-C interactions. At zero temperature, an (8,0) single-wall carbon nanotube under axial compression collapses by forming fins-like structure which remains within the elastic limit of the system, in agreement of previous molecular dynamics study. At finite temperatures, however, we find that temperature dependent fluctuations can activate the formation of sp3 bonds, in agreement with a recently proposed plastic collapse mechanism of the same nanotube with a generalized tight-binding molecular More >

R. Martinez¹, N. M. Ghoniem²

CMES-Computer Modeling in Engineering & Sciences, Vol.3, No.2, pp. 229-244, 2002, DOI:10.3970/cmes.2002.003.229

Abstract We focus here on the direct coupling of Dislocation Dynamics (DD) computer simulations with the Finite Element Method (FEM) to simulate plastic deformation of micro-scale structures, and investigate the influence of crystal surfaces on dislocation motion. A series of three-dimensional (3-d) DD simulations of BCC single crystals with a single shear loop in the (101)-[111] slip system are first presented. The purpose of these simulations is to explore the relationship between loop force distributions and the proximity of the loop to the crystal boundary. Traction boundary conditions on a single crystal model are satisfied through… More >

W. C. Liu, S. Q. Shi, C. H. Woo, Hanchen Huang¹

CMES-Computer Modeling in Engineering & Sciences, Vol.3, No.2, pp. 213-218, 2002, DOI:10.3970/cmes.2002.003.213

Abstract Using molecular dynamics method, we study the nucleation of dislocations and their subsequent propagation during the deposition of tungsten thin films under tension. Aiming to reveal the generic mechanisms of dislocation nucleation during the deposition of polycrystalline thin films, the case of tungsten on a substrate of the same material is considered. The substrate is under uniaxial tension along the [111] direction, with the thermodynamically favored (01^ˉˉ1) surface being horizontal. The simulation results indicate that the nucleation starts with a surface step, where a surface atom is pressed into the film along the [111^ˉˉ] More >

Chyou-Chi Chien, Tong-Yue Wu¹

CMES-Computer Modeling in Engineering & Sciences, Vol.2, No.2, pp. 213-226, 2001, DOI:10.3970/cmes.2001.002.213

Abstract This study presents a novel computational method for implementing the time finite element formulation for the equations of linear structural dynamics. The proposed method adopts the time-discontinuous Galerkin method, in which both the displacement and velocity variables are represented independently by second-order interpolation functions in the time domain. The solution algorithm derived utilizes a predictor/multi-corrector technique that can effectively obtain the solutions for the resulting system of coupled equations. The numerical implementation of the time-discontinuous Galerkin finite element method is verified through several benchmark problems. Numerical results are compared with exact and accepted solutions from More >

K. Nishimura¹, N. Miyazaki²

CMES-Computer Modeling in Engineering & Sciences, Vol.2, No.2, pp. 143-154, 2001, DOI:10.3970/cmes.2001.002.143

Abstract In this paper, we present a classical molecular dynamics algorithm and its implementation on Cray C90 and Fujitsu VPP700. The characters of this algorithm consist in a grid based on the block division of the atomic system and a neighbor list based on the use of a short range potential. The computer program is used for large scale simulations on a Cray C90 and a 32-node VPP700, and measurements of computational performance are reported. Then, we examine the interaction between a crack propagating and a tilt grain boundary under uniaxial tension using this computer program.… More >

F. Simonetti¹, R. M. Ardito Marretta²

CMES-Computer Modeling in Engineering & Sciences, Vol.1, No.3, pp. 81-90, 2000, DOI:10.3970/cmes.2000.001.383

Abstract Advanced propellers are being developed to improve the performance and fuel economy of future transport aircraft. To study them, various aerodynamic prediction models and systems (from theory to experiment) have been developed via several approaches (Free Wake Analysis, helicoidal source methods, scale model tests). This study focuses on the development of an efficient numerical method to predict the behaviour of rotor or propeller in forward flight. Based on a variational approach, the present numerical technique allows a significant reduction of computer resources used in the calculation of instantaneous velocities to determine the wake geometry and More >

F. M. A. El-Saeidy¹

CMES-Computer Modeling in Engineering & Sciences, Vol.1, No.3, pp. 33-42, 2000, DOI:10.3970/cmes.2000.001.335

Abstract In rotating radial ball bearings supported on elastic casings with the bearing outer ring lightly fitted into the housing, the force due to the ball elastic contact is indeed a rotating load rolling over the housing. For accurate estimation of the dynamic deformations of the casing annulus (hole), which in turn affect the bearing tolerances and hence the magnitudes of the generated forces, effect of the load rotation (motion) should be considered. Considering the integral casing and the outer ring to be a plate, an isoparametric plane stress finite-element (FE) based analytical procedure is presented… More >