Physics – Condensed Matter – Materials Science
Scientific paper
2005-01-06
Physics
Condensed Matter
Materials Science
New material added with quantitative comparisons of grain boundary energies and demonstrations of computational efficiency
Scientific paper
10.1103/PhysRevE.72.020601
We propose a computationally-efficient approach to multiscale simulation of polycrystalline materials, based on the phase field crystal (PFC) model. The order parameter describing the density profile at the nanoscale is reconstructed from its slowly-varying amplitude and phase, which satisfy rotationally-covariant equations derivable from the renormalization group. We validate the approach using the example of two-dimensional grain nucleation and growth.
Athreya Badrinarayan P.
Dantzig Jonathan A.
Goldenfeld Nigel
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