Molecular dynamics simulation of fractures using an N-body potential
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Lu, Hua
ORCID: 0000-0002-4392-6562
, Rafii-Tabar, H. and Cross, M.
(1997)
Molecular dynamics simulation of fractures using an N-body potential.
Philosophical Magazine Letters, 75 (5).
pp. 237-244.
ISSN 0950-0839 (Print), 1362-3036 (Online)
(doi:https://doi.org/10.1080/095008397179480)
Abstract
Molecular dynamics has been employed to model the fracture of a twodimensional triangular atomic lattice. The N-body Sutton-Chen potential developed for fcc metals and its extended version (Rafii-Tabar and Sutton) for fcc random binary alloys were used for the interatomic interactions. It is shown that at low temperatures cleavage fractures can occur in both an elemental metal and an alloy. At elevated temperatures the nucleation of dislocations is shown to cause a brittle-to-ductile transition. For the brittle crack propagation in the elemental metal, crack propagation speeds have been computed for different stress rates, and a crack instability found to exist as the speed reaches a critical value of about 32% of the Rayleigh wave speed. For the random alloy, we find that the dislocation movement can be affected by the distorted lattice.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | molecular dynamics, simulation of fracture, N-body potential |
| Subjects: | B Philosophy. Psychology. Religion > B Philosophy (General) Q Science > QA Mathematics |
| Pre-2014 Departments: | School of Computing & Mathematical Sciences School of Computing & Mathematical Sciences > Centre for Numerical Modelling & Process Analysis School of Computing & Mathematical Sciences > Centre for Numerical Modelling & Process Analysis > Computational Mechanics & Reliability Group School of Computing & Mathematical Sciences > Centre for Numerical Modelling & Process Analysis > Computational Science & Engineering Group School of Computing & Mathematical Sciences > Department of Mathematical Sciences |
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| Last Modified: | 20 Mar 2019 11:54 |
| URI: | http://gala.gre.ac.uk/id/eprint/89 |
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