Ames Laboratory; Physics and Astronomy
Physics and Astronomy, Ames Laboratory
The effect of Sm doping on the fcc-Al nucleation was investigated in Al-Sm liquids with low Sm concentrations (xSm) with molecular dynamics simulations. The nucleation in the moderately undercooled liquid is achieved by the recently developed persistent-embryo method. Systematically computing the nucleation rate with different xSm (xSm = 0%, 1%, 2%, 3%, 5%) at 700 K, we found Sm dopant reduces the nucleation rate by up to 25 orders of magnitudes with only 5% doping concentration. This effect is mostly associated with the increase in the free energy barrier with minor contribution from suppression of the attachment to the nucleus caused by Sm doping.
Department of Energy Subject Categories
36 MATERIALS SCIENCE
Iowa State University Digital Repository, Ames IA (United States)
Available for download on Sunday, September 01, 2019