Can the Lennard-Jones solid be expected to be FCC?

B.W. van de Waal

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The structure of the Lennard-Jones solid, obtained by molecular-dynamics simulation of crystallization in the supercooled liquid, may be fcc, although the hcp structure is energetically more favorable. This could derive from the cubic symmetry of the fcc lattice, allowing lattice defects that are not possible in the hcp arrangement, but are essential to crystal growth in the simulated liquid. Two crossing stacking faults in a small fcc crystallite can produce nonvanishing, growth-promoting, but stacking-fault-resisting, surface steps.
Original languageUndefined
Pages (from-to)3263-3266
Number of pages4
JournalPhysical review letters
Issue number1
Publication statusPublished - 1991


  • METIS-129498
  • IR-61201

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