Atomistic Configurations and Energetics of Crack Extension in Silicon

Ting Zhu, Ju Li, and Sidney Yip

Phys. Rev. Lett. 93, 205504 – Published 11 November 2004

Abstract

We report the first atomistic determination of the minimum energy path for a series of bond ruptures to advance a crack front. Saddle-point configurations on (111) cleavage planes in Si reveal a steplike distribution of atomic displacements, implying a kink mechanism which is known to control dislocation mobility. Manifestations of lattice trapping and directional cleavage anisotropy are further elucidated.

Received 7 August 2004

DOI:https://doi.org/10.1103/PhysRevLett.93.205504

Authors & Affiliations

Ting Zhu¹, Ju Li², and Sidney Yip^3,*

¹Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
²Department of Materials Science and Engineering, Ohio State University, Columbus, Ohio 43210, USA
³Departments of Nuclear Engineering and Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA

^*Electronic address: syip@mit.edu

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Vol. 93, Iss. 20 — 12 November 2004

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Physical Review Letters

Atomistic Configurations and Energetics of Crack Extension in Silicon

Ting Zhu, Ju Li, and Sidney Yip

Phys. Rev. Lett. 93, 205504 – Published 11 November 2004

Abstract

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