Global minimality conjecture for FCC and BCC lattices under Lennard–Jones-type energies

Let ff be the Lennard–Jones-type interaction defined by

f(r)=a2rx2a1rx1,f(r)=\frac{a_2}{r^{x_2}}-\frac{a_1}{r^{x_1}},

where (a1,a2)(0,+)2(a_1,a_2)\in(0,+\infty)^2 and 0<x1<x20<x_1<x_2. Let EfE_f denote the interaction energy among Bravais lattices, and let FCC and BCC refer respectively to the face-centered cubic and body-centered cubic lattices. Global minimality conjecture. If 3/2<x1<x23/2<x_1<x_2, then the unique minimizer of EfE_f among all Bravais lattices is an FCC lattice. If 0<x1<x2<3/20<x_1<x_2<3/2, then the unique minimizer of EfE_f among all Bravais lattices is a BCC lattice. This conjecture concerns global minimization without a volume constraint; the preceding local results establish FCC and BCC local optimality in the appropriate high- and low-density regimes, while the global minimization problem remains open in the stated generality.

Sources & referencesView supporting material

Primary source

Laurent Bétermin, “Local optimality of cubic lattices for interaction energies”, arXiv:1611.07798 (2017).

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