High-rate Plastic Deformation of Nanocrystalline Tantalum to Large Strains: Molecular Dynamics Simulation
| dc.creator | Rudd, Robert E. | |
| dc.date | 2009-02-26 | |
| dc.date.accessioned | 2026-07-07T12:47:04Z | |
| dc.date.available | 2026-07-07T12:47:04Z | |
| dc.description | Here we use large-scale molecular dynamics (MD) simulations of the high-rate deformation of nanocrystalline tantalum to investigate the processes associated with plastic deformation for strains up to 100%. We use initial atomic configurations that were produced through simulations of solidification in the work of Streitz et al [Phys. Rev. Lett. 96, (2006) 225701]. These 3D polycrystalline systems have typical grain sizes of 10-20 nm. We also study a rapidly quenched liquid (amorphous solid) tantalum. We apply a constant volume (isochoric), constant temperature (isothermal) shear deformation over a range of strain rates, and compute the resulting stress-strain curves to large strains for both uniaxial and biaxial compression. We study the rate dependence and identify plastic deformation mechanisms. The identification of the mechanisms is facilitated through a novel technique that computes the local grain orientation, returning it as a quaternion for each atom. We find both dislocation and twinning processes are important, and they interact in the weak strain hardening in these extremely fine-grained microstructures. | |
| dc.description | 17 pages, 6 figures | |
| dc.identifier | https://arxiv.org/abs/0902.4491 | |
| dc.identifier | http://arxiv.org/abs/0902.4491 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/221593 | |
| dc.subject | Materials Science | |
| dc.title | High-rate Plastic Deformation of Nanocrystalline Tantalum to Large Strains: Molecular Dynamics Simulation | |
| dc.type | text |