Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Threshold concentration for H blistering in defect free W   Lattice distortion induced by high concentration of H is believed to be
precursor of H blistering in single crystalline W (SCW) during H isotope
irradiation. However, the critical H concentration needed to trigger
bond-breaking of metal atoms presents a challenge to measure. Using density
functional theory, we have calculated the formation energy of a vacancy and a
self-interstitial atom (SIA) in supersaturated defect-free SCW with various H
concentrations. When the ratio of H:W exceeds 1:2, the formation of both
vacancies and self-interstitials becomes exothermic, meaning that spontaneous
formation of micro-voids which can accommodate molecular H2 will occur.
Molecular H2 is not allowed to form, and it is not needed either at the very
initial stage of H blistering in SCW. With supersaturated H, the free volume at
the vacancy or SIA is greatly smeared out with severe lattice distortion and
more H can be trapped than in the dilute H case.

22
The categories of this paper are: chao-dyn
23
The categories of this paper are: solv-int
1
The categories of this paper are: cs
34
The categories of this paper are: chem-ph
18
The categories of this paper are: econ
3
The categories of this paper are: physics
13
The categories of this paper are: quant-ph
20
The categories of this paper are: acc-phys
12
The categories of this paper are: nucl-th
25
The categories of this paper are: patt-sol
26
The categories of this paper are: bayes-an
7
The categories of this paper are: hep-th
36
The categories of this paper are: cmp-lg
14
The categories of this paper are: math-ph
19
The categories of this paper are: eess
27
The categories of this paper are: comp-gas