Zirconium Crystallization

Molecular dynamics(MD) simulation of crystallization process. Calculation was carried out in frameworks of NPT ensemble, where number of particles N, pressure P and temperature T of system were cept constant. N=2500 atoms were distributed in a cubic cell with the periodic boundary conditions. The value of external pressure P=10^5 Pa was taken. Zirconium was cooled from 3000K to 0K
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Tags: MD crystallization atoms

Uploaded by: ( Send Message ) on 17-04-2007.

Duration: 0m 53s