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Beilstein J Nanotechnol. 2016 Feb 10;7:228-35. doi: 10.3762/bjnano.7.21. eCollection 2016.

Plasticity-mediated collapse and recrystallization in hollow copper nanowires: a molecular dynamics simulation.

Beilstein journal of nanotechnology

Amlan Dutta, Arup Kumar Raychaudhuri, Tanusri Saha-Dasgupta

Affiliations

  1. Department of Condensed Matter Physics and Material Sciences, S. N. Bose National Centre for Basic Sciences, Salt Lake, Kolkata 700 098, India.
  2. Department of Condensed Matter Physics and Material Sciences, S. N. Bose National Centre for Basic Sciences, Salt Lake, Kolkata 700 098, India; Unit for Nanoscience and Technology, Department of Condensed Matter Physics and Material Sciences, S. N. Bose National Centre for Basic Sciences, Salt Lake, Kolkata 700 098, India.
  3. Department of Condensed Matter Physics and Material Sciences, S. N. Bose National Centre for Basic Sciences, Salt Lake, Kolkata 700 098, India; Thematic Unit of Excellence on Computational Materials Science, S. N. Bose National Centre for Basic Sciences, Salt Lake, Kolkata 700 098, India.

PMID: 26977380 PMCID: PMC4778510 DOI: 10.3762/bjnano.7.21

Abstract

We study the thermal stability of hollow copper nanowires using molecular dynamics simulation. We find that the plasticity-mediated structural evolution leads to transformation of the initial hollow structure to a solid wire. The process involves three distinct stages, namely, collapse, recrystallization and slow recovery. We calculate the time scales associated with different stages of the evolution process. Our findings suggest a plasticity-mediated mechanism of collapse and recrystallization. This contradicts the prevailing notion of diffusion driven transport of vacancies from the interior to outer surface being responsible for collapse, which would involve much longer time scales as compared to the plasticity-based mechanism.

Keywords: dislocations; molecular dynamics; nanowire; thermal stability

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