Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Thermodynamic properties of binary HCP solution phases from special
  quasirandom structures   Three different special quasirandom structures (SQS) of the substitutional
hcp $A_{1-x}B_x$ binary random solutions ($x=0.25$, 0.5, and 0.75) are
presented. These structures are able to mimic the most important pair and
multi-site correlation functions corresponding to perfectly random hcp
solutions at those compositions. Due to the relatively small size of the
generated structures, they can be used to calculate the properties of random
hcp alloys via first-principles methods. The structures are relaxed in order to
find their lowest energy configurations at each composition. In some cases, it
was found that full relaxation resulted in complete loss of their parental
symmetry as hcp so geometry optimizations in which no local relaxations are
allowed were also performed. In general, the first-principles results for the
seven binary systems (Cd-Mg, Mg-Zr, Al-Mg, Mo-Ru, Hf-Ti, Hf-Zr, and Ti-Zr) show
good agreement with both formation enthalpy and lattice parameters measurements
from experiments. It is concluded that the SQS's presented in this work can be
widely used to study the behavior of random hcp solutions.

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The categories of this paper are: hep-lat
6
The categories of this paper are: astro-ph
19
The categories of this paper are: eess
8
The categories of this paper are: hep-ex
37
The categories of this paper are: supr-con
15
The categories of this paper are: nucl-ex
5
The categories of this paper are: gr-qc
20
The categories of this paper are: acc-phys
0
The categories of this paper are: hep-ph
9
The categories of this paper are: nlin
35
The categories of this paper are: mtrl-th
33
The categories of this paper are: plasm-ph
10
The categories of this paper are: q-bio
7
The categories of this paper are: hep-th
28
The categories of this paper are: alg-geom
23
The categories of this paper are: solv-int