Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Ab initio parametrised model of strain-dependent solubility of H in
  alpha-iron   The calculated effects of interstitial hydrogen on the elastic properties of
alpha-iron from our earlier work are used to describe the H interactions with
homogeneous strain fields using ab initio methods. In particular we calculate
the H solublility in Fe subject to hydrostatic, uniaxial, and shear strain. For
comparison, these interactions are parametrised successfully using a simple
model with parameters entirely derived from ab initio methods. The results are
used to predict the solubility of H in spatially-varying elastic strain fields,
representative of realistic dislocations outside their core. We find a strong
directional dependence of the H-dislocation interaction, leading to strong
attraction of H by the axial strain components of edge dislocations and by
screw dislocations oriented along the critical < 111 > slip direction. We
further find a H concentration enhancement around dislocation cores, consistent
with experimental observations.

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The categories of this paper are: quant-ph
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The categories of this paper are: math-ph
31
The categories of this paper are: ao-sci
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The categories of this paper are: alg-geom
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The categories of this paper are: hep-lat
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The categories of this paper are: stat
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The categories of this paper are: nlin
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The categories of this paper are: dg-ga
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The categories of this paper are: chem-ph
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The categories of this paper are: nucl-ex
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The categories of this paper are: atom-ph
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The categories of this paper are: solv-int
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The categories of this paper are: astro-ph
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The categories of this paper are: hep-th
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The categories of this paper are: acc-phys
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The categories of this paper are: math