Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Theoretical studies on the impact of point defect on the structures of
  different uranium silicides   The structures, point defects and impacts of fission products for U3Si
(\b{eta}-U3Si and {\gamma}-U3Si) and USi2 ({\alpha}-USi2 and \b{eta}-USi2) are
studied by first-principles calculations. The lattice parameters of U3Si and
USi2 are calculated and the stability of different types of point defects is
predicted by their formation energies. The results show that silicon vacancies
are more prone to be produced than uranium vacancies in \b{eta}-USi2 matrix,
while uranium vacancies are the most stable defects of other three types of
crystallographic structures. The most favorable sites of fission products
(strontium, barium, cerium and neodymium) are determined in this work as well.
By calculating incorporation energies of fission products, we demonstrate that
the uranium site is the most favored for all the fissions products. Comparing
the structural changes influenced by different fission products, it is also
found that the highest volume change is caused by barium interstitials.
According to the current data, rare earth elements cerium and neodymium are
found to be more stable than alkaline earth metals strontium and barium in a
given nuclear matrix. Finally, it is also determined that in USi2 crystal
lattice fission products tend to be stabilized in uranium substitution sites,
while they are likely to form precipitates from the U3Si matrix. It is expected
that this work may provide new insight into the mechanism for structural
evolutions of silicide nuclear fuels in a reactor.

10
The categories of this paper are: q-bio
31
The categories of this paper are: ao-sci
1
The categories of this paper are: cs
23
The categories of this paper are: solv-int
28
The categories of this paper are: alg-geom
17
The categories of this paper are: q-fin
2
The categories of this paper are: math
16
The categories of this paper are: stat
25
The categories of this paper are: patt-sol
6
The categories of this paper are: astro-ph
26
The categories of this paper are: bayes-an
4
The categories of this paper are: cond-mat
20
The categories of this paper are: acc-phys
19
The categories of this paper are: eess
30
The categories of this paper are: q-alg
27
The categories of this paper are: comp-gas