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Nanoscale Solidification Of Metals By Atomistic Simulations: From Nucleation To Nanostructural Evolution, Avik Mahata
Nanoscale Solidification Of Metals By Atomistic Simulations: From Nucleation To Nanostructural Evolution, Avik Mahata
Doctoral Dissertations
"Homogeneous nucleation during solidification in Al (fcc), Fe (bcc) and Mg (hcp) is studied by million-atom molecular dynamics (MD) utilizing the second nearest neighbor modified embedded atom method (2NN-MEAM) potentials. Spontaneous homogenous nucleation from the melt was produced without any influence of pressure, free surface effects and impurities. We also study the effect on the simulation size on homogenous nucleation and the heterogeneity in homogenous nucleation. The heterogeneity in homogenous nucleation originates from the twins, grain boundaries and short range order in the liquid during the initial stages of solidification.
To study the solid-liquid coexistence in binary Al alloys, interatomic …