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 >

Farid F. Abraham¹

CMES-Computer Modeling in Engineering & Sciences, Vol.1, No.4, pp. 63-70, 2000, DOI:10.3970/cmes.2000.001.515

Abstract A challenging paradigm in the computational sciences is the coupling of the continuum, the atomistic and the quantum descriptions of matter for a unified dynamic treatment of a single physical problem. We described the achievement of such a goal. We have spanned the length scales in a concerted simulation comprising the finite-element method, classical molecular dynamics, quantum tight-binding dynamics and seamless bridges between these different physical descriptions. We illustrate and validate the methodology for crack propagation in silicon. More >

Changyu Hwang¹, Philippe H. Geubelle²

CMES-Computer Modeling in Engineering & Sciences, Vol.1, No.4, pp. 45-56, 2000, DOI:10.3970/cmes.2000.001.497

Abstract This paper presents the formulation and numerical implementation of a spectral scheme specially developed to simulate dynamic fracture events in unidirectional and cross-ply fiber-reinforced composites. The formulation is based on the spectral representation of the transversely isotropic elastodynamic relations between the traction stresses along the fracture plane and the resulting displacements. Example problems involving stationary or dynamically propagating cracks in fiber-reinforced composites are investigated and compared with reference solutions available in the literature and/or experimental observations. More >

Y.C. Shiah¹, C.L. Tan¹

CMES-Computer Modeling in Engineering & Sciences, Vol.1, No.3, pp. 91-99, 2000, DOI:10.3970/cmes.2000.001.393

Abstract In the direct formulation of the boundary element method (BEM), a volume integral arises in the resulting integral equation if thermal effects are present. The steps to transform this volume integral into boundary ones in an exact analytical manner are reviewed in this paper for two- dimensional anisotropic thermoelasticity. The general applicability of the BEM algorithm for fracture mechanics applications is demonstrated by three crack problems with slanted cracks. The numerical results of the stress intensity factors are presented and compared with those obtained using superposition. More >

J. Lufrano¹, P. Sofronis¹

CMES-Computer Modeling in Engineering & Sciences, Vol.1, No.2, pp. 119-132, 2000, DOI:10.3970/cmes.2000.001.279

Abstract Transient hydrogen diffusion and hydride formation coupled with material deformation are studied in Zr-2.5Nb alloys used in the pressure tubes of CANDU nuclear generating stations. The energetics of the hydride formation is revisited and the terminal solid solubility of hydrogen in solution is defined on the basis of the total elastoplastic work done on the system by the forming hydride and the external loads. Probabilistic precipitation of hydride is modeled in the neighborhood of a crack tip under mode I plane strain loading and a uniform initial hydrogen concentration below the stress free terminal solid More >

Toru Ikeda¹, Isao Arase, Yuya Ueno, Noriyuki Miyazaki

CMES-Computer Modeling in Engineering & Sciences, Vol.1, No.1, pp. 91-98, 2000, DOI:10.3970/cmes.2000.001.091

Abstract In electronic devices, the corners of joined dissimilar materials exist between plastic resin and a die pad or a chip. Failure of the plastic resin is often caused from these corners during the assembly process or the operation of products. The strength evaluation of the corner is important to protect the failure of plastic packages. To evaluate the singular stress field around a corner, we utilize the stress intensity factors of the asymptotic solution for a corner of joined dissimilar materials. We show that the accurate stress intensity factor can be analyzed by the displacement More >