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Molecular Dynamic Simulation of Crack Propagation Behavior in Nano Size HCP Crystals

[+] Author Affiliations
Shinji Ando, Leping Bu, Masayuki Tsushida, Hideki Tonda

Kumamoto University, Kumamoto, Japan

Paper No. IPACK2005-73042, pp. 1685-1688; 4 pages
  • ASME 2005 Pacific Rim Technical Conference and Exhibition on Integration and Packaging of MEMS, NEMS, and Electronic Systems collocated with the ASME 2005 Heat Transfer Summer Conference
  • Advances in Electronic Packaging, Parts A, B, and C
  • San Francisco, California, USA, July 17–22, 2005
  • Conference Sponsors: Heat Transfer Division and Electronic and Photonic Packaging Division
  • ISBN: 0-7918-4200-2 | eISBN: 0-7918-3762-9
  • Copyright © 2005 by ASME


A crack propagation behavior of nano size hcp crystal (13nm × 24nm × 4.6nm) has been simulated by molecular dynamics method using Lennard-Jones type potential. In a case of model crystal with initial notch plane and direction were (101 0), [12 10], the crack propagated parallel to notch plane and two sets of prismatic slips were occurred at the crack. Therefore, the crack in this crystal is deduced to extend by alternating shear on two intersecting {101 0}<12 10> prismatic slip systems. In a model crystal with (0001), [101 0] initial crack, {101 1} first order pyramidal slip occurred at crack tip and following {101 2} twin was also observed. In the model crystal with (101 0)[0001] initial crack, the crack propagated parallel to initial crack plane with two prismatic slips in front of the crack. To understand strength of nano size titanium crystals as MEMS materials, stress intensity factor, K of each model crystals were also estimated from stress-strain curves obtained from these simulations.

Copyright © 2005 by ASME



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