Skip to main content Accessibility help
×
Home

Massively Parallel Molecular Dynamics Simulations of Two-dimensional Materials at High Strain Rates

  • Norman J. Wagner (a1) and Brad Lee Holian (a2)

Abstract

Large scale molecular dynamics simulations on a massively parallel computer are performed to investigate the mechanical behavior of 2-dimensional materials. A model embedded atom many- body potential is examined, corresponding to “ductile” materials. A parallel MD algorithm is developed to exploit the architecture of the Connection Machine, enabling simulations of > 106atoms. A model spallation experiment is performed on a 2-D triagonal crystal with a well-defined nanocrystalline defect on the spall plane. The process of spallation is modelled as a uniform adiabatic expansion. The spall strength is shown to be proportional to the logarithm of the applied strain rate and a dislocation dynamics model is used to explain the results. Good predictions for the onset of spallation in the computer experiments is found from the simple model. The nanocrystal defect affects the propagation of the shock front and failure is enhanced along the grain boundary.

Copyright

References

Hide All
1. Kelly, A. and Macmillan, N.,Strong Solids Clarendon Press, Oxford, 1986.
2. Wagner, N.J., Holian, B.L., and Voter, A.F., Physical Review A 45, 8457 (1992).
3. Harding, J., editor, Mechanical Properties at High Rates of Strain, 1984, volume 70, The Institute of Physics, Bristol and London, 1984.
4. Follansbee, P., in Shock Waves in Condensed Matter 1987, edited by Schmidt, S. and Holmes, N., page 249, 1988.
5. Holian, B.L., in Shock Waves in Condensed Matter 1987, edited by Schmidt, S. and Holmes, N., page 185, 1988.
6. Allen, M. and Tilsedey, D., Computer Simulation of Liquids, Clarendon Press, Oxford, 2nd edition, 1989.
7. Holian, B.L. et al. , Phys. Rev. A 43, 2655 (1991).
8. Keribas, A. and Zakharenko, I., in Mechanical Properties at High Rates of Strain, 1984, edited by Harding, J., page 277, 1984.

Massively Parallel Molecular Dynamics Simulations of Two-dimensional Materials at High Strain Rates

  • Norman J. Wagner (a1) and Brad Lee Holian (a2)

Metrics

Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed