Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: High-precision molecular dynamics simulation of UO2-PuO2: pair
  potentials comparison in UO2   Our series of articles is devoted to high-precision molecular dynamics
simulation of mixed actinide-oxide (MOX) fuel in the approximation of rigid
ions and pair interactions (RIPI) using high-performance graphics processors
(GPU). In this first article 10 most recent and widely used interatomic sets of
pair potentials (SPP) are assessed by reproduction of solid phase properties of
uranium dioxide (UO2) - temperature dependences of the lattice constant, bulk
modulus, enthalpy and heat capacity. Measurements were performed with 1K
accuracy in a wide temperature range from 300K up to melting points. The best
results are demonstrated by two recent SPPs MOX-07 and Yakub-09, which both had
been fitted to the recommended thermal expansion in the range of temperatures
300-3100K. They reproduce the experimental data better than the widely used
SPPs Basak-03 and Morelon-03 at temperatures above 2500K.

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The categories of this paper are: astro-ph
18
The categories of this paper are: econ
16
The categories of this paper are: stat
37
The categories of this paper are: supr-con
7
The categories of this paper are: hep-th
31
The categories of this paper are: ao-sci
14
The categories of this paper are: math-ph
9
The categories of this paper are: nlin
12
The categories of this paper are: nucl-th
17
The categories of this paper are: q-fin
5
The categories of this paper are: gr-qc
10
The categories of this paper are: q-bio
23
The categories of this paper are: solv-int
0
The categories of this paper are: hep-ph
24
The categories of this paper are: dg-ga
34
The categories of this paper are: chem-ph