Structure and dynamics at the aluminum solid-liquid interface: An ab initio simulation
An ab initio molecular dynamics simulation model was used to study the interface between the face of crystalline aluminum and the coexisting liquid. The model employed the orbital-free density functional description of the electronic structure. The melting temperature in the equilibrium condition wa...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
| Published: |
American Inst of Physics
2000
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