Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: First-principles prediction of a decagonal quasicrystal containing boron   We interpret experimentally known B-Mg-Ru crystals as quasicrystal
approximants. These approximant structures imply a deterministic decoration of
tiles by atoms that can be extended quasiperiodically. Experimentally observed
structural disorder corresponds to phason (tile flip) fluctuations.
First-principles total energy calculations reveal that many distinct tilings
lie close to stability at low temperatures. Transfer matrix calculations based
on these energies suggest a phase transition from a crystalline state at low
temperatures to a high temperature state characterized by tile fluctuations. We
predict B$_{38}$Mg$_{17}$Ru$_{45}$ forms a decagonal quasicrystal that is
metastable at low temperatures and may be thermodynamically stable at high
temperatures.

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The categories of this paper are: comp-gas
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The categories of this paper are: chem-ph
37
The categories of this paper are: supr-con
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The categories of this paper are: stat
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The categories of this paper are: dg-ga
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The categories of this paper are: q-alg
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The categories of this paper are: q-fin
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The categories of this paper are: plasm-ph
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The categories of this paper are: cmp-lg
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The categories of this paper are: chao-dyn
0
The categories of this paper are: hep-ph
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The categories of this paper are: acc-phys
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The categories of this paper are: mtrl-th
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The categories of this paper are: bayes-an
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The categories of this paper are: atom-ph
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The categories of this paper are: quant-ph