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Micro-structural aspects of fatigue crack propagation in atomistic-scale via the molecular dynamics analysis

Yasbolaghi, R ; Sharif University of Technology | 2020

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  1. Type of Document: Article
  2. DOI: 10.1016/j.engfracmech.2019.106848
  3. Publisher: Elsevier Ltd , 2020
  4. Abstract:
  5. In this paper, the fatigue crack propagation is modeled using the Molecular Dynamics (MD) analysis based on the Embedded Atom Method (EAM). The crack growth simulation is performed for the single-crystal and poly-crystalline specimens subjected to cyclic loading/unloading conditions, and the crack growth rate is investigated at the atomistic level. The MD simulations are carried out under different model parameters, including the load pattern, maximum applied strain, temperature, loading frequency, and percentage of defects by employing more than 4000 molecular dynamics analyses to study the sensitivity of crack propagation process to the simulation parameters. The threshold values of fatigue crack growth are investigated and the micro-structural mechanisms of fatigue crack propagation are presented in the atomistic level. Moreover, the crack propagation in poly-crystalline structure is studied and the threshold value of crack length is obtained during the propagation process. © 2019 Elsevier Ltd
  6. Keywords:
  7. Cyclic loading/unloading ; Embedded atom method ; Fatigue crack propagation ; Molecular dynamics ; Poly-crystalline ; Cyclic loads ; Fatigue of materials ; Growth rate ; Single crystals ; Atomistic levels ; Crack growth simulation ; Embedded-atom method ; Loading frequencies ; Micro-structural ; Polycrystalline ; Propagation process ; Simulation parameters ; Cracks
  8. Source: Engineering Fracture Mechanics ; Volume 226 , 2020
  9. URL: https://www.sciencedirect.com/science/article/abs/pii/S001379441930966X#!