Kris's Research Notes

August 24, 2012

VLC Nanowire Simulations — B Bonds

Filed under: KMC, Nanowire — Kris Reyes @ 4:40 pm

This note is a follow-up to our previous one, and continues to explore the effect of the energy parameters in the resulting structure after attempting to grow nanowires by VLS method. In this note, we vary the bonds \gamma(B, B) and \gamma(B, C) — i.e. the strength between liquid-liquid and liquid-solid bonds.

We use the same energies as in this post, fixing \rho(A,C) = 1.5 eV and \rho_{liquid}(A, C) = 1.0 eV. We vary the energies \gamma(B, B), \gamma(B, C) according to:

\displaystyle \gamma(B, B), \gamma(B, C) \in \left\{ 0.30, 0.35, 0.40, 0.45, 0.50, 0.55\right\} eV.

If \gamma(B,B) is sufficiently smaller than \gamma(B, C) we expect some degree of mixing. On the other hand, if \gamma(B,B) > \gamma(B,C), we expect the phases to remain segregated. Here are the results, organized from left to right by increasing \gamma(B,C) and from top to bottom by increasing \gamma(B,B).

We see that nanowire growth only occurs for \gamma(B,B) > \gamma(B,C).

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