Spontaneous formation of thermodynamically stable Al-Cu-Fe icosahedral quasicrystal from realistic atomistic simulations
Icosahedral quasicrystals spontaneously form from the melt in simulations of Al-Cu-Fe alloys. We model the interatomic interactions using oscillating pair potentials tuned to the specific alloy system based on a database of density functional theory (DFT)-derived energies and forces. Favored interat...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2020-02-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.2.013196 |