Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Amorphous Boron Nitride: Ab initio Study of its vibrational properties   Boron nitride (BN) is a structurally versatile insulator since it can be
found in several crystalline structures with interesting mechanical and
electrical properties, making this material attractive for technological
applications. Seeking to improve its features, experimental and simulational
studies for the amorphous phase (a-BN) have been carried out by some groups,
focusing on the electrical and structural properties, pressure-induced phase
transformations, and hydrogenated a-BN. In this work two amorphous structures
are computationally generated and studied using ab initio Molecular Dynamics on
a 216-atom supercell with two different densities, 2.04 and 2.80 g cm$^{-3}$.
Our undermelt-quench approach is followed, since it has proven to give good
structures for disordered materials and their properties. The topology, the
vibrational density of states and some thermodynamic properties of the two
samples are reported and compared with existing experiment. Some computational
results are also revisited.

15
The categories of this paper are: nucl-ex
5
The categories of this paper are: gr-qc
34
The categories of this paper are: chem-ph
2
The categories of this paper are: math
33
The categories of this paper are: plasm-ph
23
The categories of this paper are: solv-int
36
The categories of this paper are: cmp-lg
6
The categories of this paper are: astro-ph
16
The categories of this paper are: stat
30
The categories of this paper are: q-alg
1
The categories of this paper are: cs
7
The categories of this paper are: hep-th
32
The categories of this paper are: atom-ph
26
The categories of this paper are: bayes-an
25
The categories of this paper are: patt-sol
20
The categories of this paper are: acc-phys