Advances in nano research

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Crack growth prediction and cohesive zone modeling of single crystal aluminum-a molecular dynamics study

  • Sutrakar, Vijay Kumar (Aeronautical Development Establishment, Defence Research and Development Organization) ;
  • Subramanya, N. (Aeronautical Development Establishment, Defence Research and Development Organization) ;
  • Mahapatra, D. Roy (Department of Aerospace Engineering, Indian Institute of Science)
  • Received : 2015.07.03
  • Accepted : 2015.12.08
  • Published : 2015.09.25
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Abstract

Initiation of crack and its growth simulation requires accurate model of traction - separation law. Accurate modeling of traction-separation law remains always a great challenge. Atomistic simulations based prediction has great potential in arriving at accurate traction-separation law. The present paper is aimed at establishing a method to address the above problem. A method for traction-separation law prediction via utilizing atomistic simulations data has been proposed. In this direction, firstly, a simpler approach of common neighbor analysis (CNA) for the prediction of crack growth has been proposed and results have been compared with previously used approach of threshold potential energy. Next, a scheme for prediction of crack speed has been demonstrated based on the stable crack growth criteria. Also, an algorithm has been proposed that utilizes a variable relaxation time period for the computation of crack growth, accurate stress behavior, and traction-separation atomistic law. An understanding has been established for the generation of smoother traction-separation law (including the effect of free surface) from a huge amount of raw atomistic data. A new curve fit has also been proposed for predicting traction-separation data generated from the molecular dynamics simulations. The proposed traction-separation law has also been compared with the polynomial and exponential model used earlier for the prediction of traction-separation law for the bulk materials.

Keywords

References

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