Bond distances and strain

For N < 1,000, Lennard-Jones clusters follow an icosahedral pattern growth with magic numbers corresponding to Mackay icosahedra (Mackay 1962) for N = 13, 55,147, 309, etc. In between these magic numbers, most of the structures are Mackay-like with incomplete outer layers. Exceptions occur when there are alternative structures with complete shells. These are mostly Marks decahedra (Doye 2003) but there are instances of an fee truncated octahedron and a Leary tetrahedron (Noya and Doye 2006). The preference for icosahedral structures of Lennard-Jones clusters at small sizes is thought to be due to a trade-off between optimal bond distance and strain (Hartke 2002 Krainyukova 2006). 

---

See also in sourсe #XX -- [ , ]

See also in sourсe #XX -- [ , ]

See also in sourсe #XX -- [ , ]

See also in sourсe #XX -- [ , ]

See also in sourсe #XX -- [ , ]

---