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- Title
Molecular-Dynamics Study of Mechanical Deformation in Nano-Crystalline Aluminum.
- Authors
Kadau, K.; Germann, T. C.; Lomdahl, P. C.; Holian, B. L.; Kadau, D.; Entel, P.; Wolf, D. E.; Kreth, M.; Westerhoff, F.
- Abstract
We report on molecular-dynamics (MD) simulations of tensile loading of nano-crystalline A1 modeled by an embedded-atom method (EAM) potential. Usage of two different sample preparation methods of the nano-crystalline material allows us to compare mechanical properties for different sample qualities. A Voronoi-constructed polycrystal exhibits nearly no pores and has different mechanical properties compared to a material that is sintered under pressure and temperature from spherical nanoparticles, resulting in a lower-density sample. We found an inverse Hall-Petch relation for the flow stress for grain sizes smaller than 10 nm. Intergranular fracture was observed for the larger A1 grain sizes, but not for nano-crystalline Cu.
- Subjects
MOLECULAR dynamics; SIMULATION methods &; models; NANOCRYSTALS; STRAINS &; stresses (Mechanics); PRESSURE
- Publication
Metallurgical & Materials Transactions. Part A, 2004, Vol 35, Issue 9, p2719
- ISSN
1073-5623
- Publication type
Article
- DOI
10.1007/s11661-004-0217-2