Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Sampling the diffusion paths of a neutral vacancy in Silicon with
  quantum mechanical calculations   We report a first-principles study of vacancy-induced self-diffusion in
crystalline silicon. Starting form a fully relaxed configuration with a neutral
vacancy, we proceed to search for local diffusion paths. The diffusion of the
vacancy proceeds by hops to first nearest neighbor with an energy barrier of
0.40 eV in agreement with experimental results. Competing mechanisms are
identified, like the reorientation, and the recombination of dangling bonds by
Wooten-Winer-Weaire process.

31
The categories of this paper are: ao-sci
18
The categories of this paper are: econ
12
The categories of this paper are: nucl-th
9
The categories of this paper are: nlin
24
The categories of this paper are: dg-ga
28
The categories of this paper are: alg-geom
27
The categories of this paper are: comp-gas
11
The categories of this paper are: hep-lat
34
The categories of this paper are: chem-ph
0
The categories of this paper are: hep-ph
26
The categories of this paper are: bayes-an
10
The categories of this paper are: q-bio
17
The categories of this paper are: q-fin
1
The categories of this paper are: cs
14
The categories of this paper are: math-ph
25
The categories of this paper are: patt-sol