Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Finite temperature molecular dynamics study of unstable stacking fault
  free energies in silicon   We calculate the free energies of unstable stacking fault (USF)
configurations on the glide and shuffle slip planes in silicon as a function of
temperature, using the recently developed Environment Dependent Interatomic
Potential (EDIP). We employ the molecular dynamics (MD) adiabatic switching
method with appropriate periodic boundary conditions and restrictions to atomic
motion that guarantee stability and include volume relaxation of the USF
configurations perpendicular to the slip plane. Our MD results using the EDIP
model agree fairly well with earlier first-principles estimates for the
transition from shuffle to glide plane dominance as a function of temperature.
We use these results to make contact to brittle-ductile transition models.

31
The categories of this paper are: ao-sci
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The categories of this paper are: cs
34
The categories of this paper are: chem-ph
2
The categories of this paper are: math
5
The categories of this paper are: gr-qc
37
The categories of this paper are: supr-con
0
The categories of this paper are: hep-ph
21
The categories of this paper are: adap-org
20
The categories of this paper are: acc-phys
36
The categories of this paper are: cmp-lg
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The categories of this paper are: quant-ph
35
The categories of this paper are: mtrl-th
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The categories of this paper are: dg-ga
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The categories of this paper are: hep-lat
32
The categories of this paper are: atom-ph
3
The categories of this paper are: physics