Computer simulation of epitaxial nucleation of a crystal on a crystalline surface.

  title={Computer simulation of epitaxial nucleation of a crystal on a crystalline surface.},
  author={James P. Mithen and Richard P Sear},
  journal={The Journal of chemical physics},
  volume={140 8},
We present results of computer simulations of crystal nucleation on a crystalline surface, in the Lennard-Jones model. Motivated by the pioneering work of Turnbull and Vonnegut [Ind. Eng. Chem. 44, 1292 (1952)], we investigate the effects of a mismatch between the surface lattice constant and that of the bulk nucleating crystal. We find that the nucleation rate is maximum close to, but not exactly at, zero mismatch. The offset is due to the finite size of the nucleus. In agreement with a number… CONTINUE READING

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