Abstract
Molecular dynamics (MD) simulations have unique advantages in capturing the details of the crack tip deformation at the atomic scale. As the accuracy of simulation results is heavily dependent on the selected interatomic potential, a comprehensive study of the anisotropic crack tip behavior of hcp titanium under plane strain mode-I loading with the commonly utilized potentials is presented in this paper. The typical crystallographic planes in hcp materials including {0001}, {101¯0}, {112¯0}, {101¯1} and {112¯2} are considered as the pre-existing crack planes. The intrinsic brittleness and ductility of different crack systems are discussed from the perspective of linear elastic fracture criteria. Depending on the selected potential, the dominant crack tip deformation mechanism may be basal a slip, prismatic a, pyramidal c+a slip or twinning modes in different crack systems. Finally, in comparison with experimental results, the different potentials are evaluated in the light of their capability to reproduce the experimentally observed crack tip deformation. Overall, the recent developed Mendelev-II potential is recommended for MD simulation of fracture behavior under mode-I loading, as this potential gives a more realistic crack tip response than other studied potentials.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
