Molecular dynamic simulations for crystallization of metallic liquids under different pressures
| ISSN: |
1089-7690
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| Source: |
AIP Digital Archive
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| Topics: |
Physics
Chemistry and Pharmacology
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| Notes: |
Molecular-dynamics simulations, using 500 particles, have been performed in order to study the crystallization of supercooled liquid Na under 1 and 2000 atm of pressure. The pseudopotential method is used in order to explicitly include conduction electron contributions, which are found to require careful evaluation by the method of a two-dimensional interpolation. The liquid and crystal structures are analyzed using a pair analysis technique. Under the above increase in pressure and with the same cooling rate, the liquid-bcc phase transition point shifts upward by ∼25 K and the transition zone narrows.
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| Type of Medium: |
Electronic Resource
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| URL: |