what

``Molecular dynamics study of melting of the HCP metal magnesium''

Supplementary animations and links

(0001) at 800K: (0001) at 800K (0001) at 970K: (0001) at 970K
(10-10) at 800K: (10-10) at 800K (10-10) at 970K: (10-10) at 970K

  • Details of parallelization algorithm and speedup

  • IPS 2008 poster: pdf file, includes still images of time development of bulk system.

  • Pictures of the initial state and final state in the direction (10-10) at 970K.

  • Some results from surface simulations for 0001 and 1010 facets with 4608 Atoms:
    0001 facet
    1010 facet
    0001 - Density Profile
    0001 - Distance between layers
    0001 - Top 4 layers + Adlayer occupancy
    0001 - Order Parameters
    0001 - element density
    0001 - RMS
    1010 - Density Profile
    1010 - Distance between layers
    1010 - Top 4 layers + Adlayer occupancy
    1010 - Order Parameters
    1010 - element density
    1010 - RMS

  • Pavel Bavli's M. Sc. thesis: pdf file with many additional details and images.
    The animations were made using Aviz program. Last updated: September, 2011