Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: The Properties of doping ZrCo   ZrCo alloy is promising to substitute uranium for handling hydrogen isotope
storage in thermonuclear reactor. The alloying substitution of Zr in ZrCo with
Hf or Ti can enhance the ability of anti-disproportionation. In this work,
Zr$_{0.75}$Hf$_{0.25}$Co and Zr$_{0.75}$Ti$_{0.25}$Co were considered in the
framework of density functional theory, aimed to investigate the properties of
the alloying substitution of Zr with Hf or Ti in ZrCo. Our results found that
the optimized lattice constants of the alloying substitutions,
Zr$_{0.75}$Hf$_{0.25}$Co and Zr$_{0.75}$Ti$_{0.25}$Co, are smaller than ZrCo.
The thermodynamic stability reduces in the order Zr$_{0.75}$Hf$_{0.25}$Co >
ZrCo > Zr$_{0.75}$Ti$_{0.25}$Co, as demonstrated by the enthalpy of formation.
The valence electrons are mainly localized at the ion core and the chemical
bonds are polarized in Zr$_{0.75}$Hf$_{0.25}$Co and Zr$_{0.75}$Ti$_{0.25}$Co
analogous to ZrCo.

3
The categories of this paper are: physics
17
The categories of this paper are: q-fin
35
The categories of this paper are: mtrl-th
5
The categories of this paper are: gr-qc
18
The categories of this paper are: econ
29
The categories of this paper are: funct-an
2
The categories of this paper are: math
27
The categories of this paper are: comp-gas
10
The categories of this paper are: q-bio
22
The categories of this paper are: chao-dyn
25
The categories of this paper are: patt-sol
30
The categories of this paper are: q-alg
8
The categories of this paper are: hep-ex
0
The categories of this paper are: hep-ph
24
The categories of this paper are: dg-ga
7
The categories of this paper are: hep-th