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Atomistic simulations on the tensile debonding of an aluminum-silicon interface

Publication ,  Journal Article
Gall, K; Horstemeyer, MF; Van Schilfgaarde, M; Baskes, MI
Published in: Journal of the Mechanics and Physics of Solids
January 1, 2000

In this paper we present Modified Embedded Atom Method (MEAM) simulations of the deformation and fracture characteristics of an incoherent interface between pure FCC aluminum and diamond cubic silicon. As a first approximation, the study only considers the normal tensile separation of a [100] interface with the principal crystallographic axis of the aluminum and the silicon aligned. The MEAM results show that the relaxed interface possesses a rippled structure, instead of a planar atomic interface, and such ripples act as local stress concentrators and initiation sites for interfacial failure. The stress-strain (traction-displacement) response of aluminum and silicon blocks attached at an interface depends on the distance from the interface that the boundary conditions are applied, i.e. the size of the atomic blocks, and the location of the measured opening displacement. Point vacancy defects near the interface are found to decrease the maximum normal tensile stress that the interface can support at a rate almost linearly proportional to the number fraction of the dispersed defects. A crack-like vacancy defect in the bulk aluminum or silicon must reach an area fraction (projected to the surface normal to the tensile axis) of about 50 or 30%, respectively, in order to shift the failure from the interface to the bulk materials. It is further demonstrated that the present results are consistent with continuum-based traction separation laws, provided that the opening displacement is measured near the physical boundary of the deforming cohesive zone (±10 angstroms from the boundary of the Al-Si interface). As the opening displacements are measured farther from the interface, the traction-displacement response approaches that of classical linear elastic fracture mechanics.

Duke Scholars

Published In

Journal of the Mechanics and Physics of Solids

DOI

ISSN

0022-5096

Publication Date

January 1, 2000

Volume

48

Issue

10

Start / End Page

2183 / 2212

Related Subject Headings

  • Mechanical Engineering & Transports
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

Citation

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Gall, K., Horstemeyer, M. F., Van Schilfgaarde, M., & Baskes, M. I. (2000). Atomistic simulations on the tensile debonding of an aluminum-silicon interface. Journal of the Mechanics and Physics of Solids, 48(10), 2183–2212. https://doi.org/10.1016/S0022-5096(99)00086-1
Gall, K., M. F. Horstemeyer, M. Van Schilfgaarde, and M. I. Baskes. “Atomistic simulations on the tensile debonding of an aluminum-silicon interface.” Journal of the Mechanics and Physics of Solids 48, no. 10 (January 1, 2000): 2183–2212. https://doi.org/10.1016/S0022-5096(99)00086-1.
Gall K, Horstemeyer MF, Van Schilfgaarde M, Baskes MI. Atomistic simulations on the tensile debonding of an aluminum-silicon interface. Journal of the Mechanics and Physics of Solids. 2000 Jan 1;48(10):2183–212.
Gall, K., et al. “Atomistic simulations on the tensile debonding of an aluminum-silicon interface.” Journal of the Mechanics and Physics of Solids, vol. 48, no. 10, Jan. 2000, pp. 2183–212. Scopus, doi:10.1016/S0022-5096(99)00086-1.
Gall K, Horstemeyer MF, Van Schilfgaarde M, Baskes MI. Atomistic simulations on the tensile debonding of an aluminum-silicon interface. Journal of the Mechanics and Physics of Solids. 2000 Jan 1;48(10):2183–2212.
Journal cover image

Published In

Journal of the Mechanics and Physics of Solids

DOI

ISSN

0022-5096

Publication Date

January 1, 2000

Volume

48

Issue

10

Start / End Page

2183 / 2212

Related Subject Headings

  • Mechanical Engineering & Transports
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences