Atomistic Study of Crack-Tip Cleavage to Dislocation Emission Transition in Silicon Single Crystals
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Sen-2010-Atomistic Study of C.pdf
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Author(s)
Sen, Dipanjan
Thaulow, Christian
Schieffer, Stella V.
Cohen, Alan
Buehler, Markus J
Date Issued
June 2010
Journal
Physical Review Letters
Publisher
American Physical Society
Citation
Sen, Dipanjan et al. "Atomistic Study of Crack-Tip Cleavage to Dislocation Emission Transition in Silicon Single Crystals." Physical Review Letters 104.23 (2010): 235502. © 2010 The American Physical Society
Version
Final published version
Abstract
At low temperatures silicon is a brittle material that shatters catastrophically, whereas at elevated temperatures, the behavior of silicon changes drastically over a narrow temperature range and suddenly becomes ductile. This brittle-to-ductile transition has been observed in experimental studies, yet its fundamental mechanisms remain unknown. Here we report an atomistic-level study of a fundamental event in this transition, the change from brittle cleavage fracture to dislocation emission at crack tips, using the first principles based reactive force field. By solely raising the temperature, we observe an abrupt change from brittle cracking to dislocation emission from a crack within a ≈10 K temperature interval.
MIT Department
Massachusetts Institute of Technology. Department of Civil and Environmental Engineering
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Massachusetts Institute of Technology. Department of Mechanical Engineering
Massachusetts Institute of Technology. Laboratory for Atomistic and Molecular Mechanics
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1103/PhysRevLett.104.235502
