Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Reactivity of transition-metal alloys to oxygen and sulphur   Oxidation and tarnishing are the two most common initial steps in the
corrosive process of metals at ambient conditions. These are always initiated
with O and S binding to a metallic surface, so that one can use the binding
energy as a rough proxy for the metal reactivity. With this in mind, we present
a systematic study of the binding energy of O and S across the entire
transition-metals composition space, namely we explore the binding energy of
{\bf 88} single-phase transition metals and of {\bf 646} transition-metal
binary alloys. The analysis is performed by defining a suitable descriptor for
the binding energy. This is here obtained by fitting several schemes, based on
the original Newns-Anderson model, against density-functional-theory data for
the 4$d$ transition metal series. Such descriptor is then applied to a vast
database of electronic structures of transition-metal alloys, for which we are
able to predict the range of binding energies across both the compositional and
the structural space. Finally, we extend our analysis to ternary
transition-metal alloys and identify the most resilient compounds to O and S
binding.

20
The categories of this paper are: acc-phys
8
The categories of this paper are: hep-ex
22
The categories of this paper are: chao-dyn
24
The categories of this paper are: dg-ga
6
The categories of this paper are: astro-ph
3
The categories of this paper are: physics
7
The categories of this paper are: hep-th
37
The categories of this paper are: supr-con
23
The categories of this paper are: solv-int
11
The categories of this paper are: hep-lat
2
The categories of this paper are: math
26
The categories of this paper are: bayes-an
5
The categories of this paper are: gr-qc
13
The categories of this paper are: quant-ph
15
The categories of this paper are: nucl-ex
32
The categories of this paper are: atom-ph