Hydrogen in α-iron: role of phonons in the diffusion of interstitials at high temperature
Hydrogen in α-iron: role of phonons in the diffusion of interstitials at high temperature
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London: Nature Publishing Group UK
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English
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London: Nature Publishing Group UK
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Ab-initio Density Functional Theory has been used to compute phonons for interstitial hydrogen in
α
-iron. In the harmonic approximation, these phonons yield Helmholtz’s free energy as a function of temperature, which can be used to obtain diffusion barriers from an Arrhenius plot. By comparing with the experimental database compiled by Kiuch...
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Hydrogen in α-iron: role of phonons in the diffusion of interstitials at high temperature
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TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_6702158
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_6702158
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2045-2322
E-ISSN
2045-2322
DOI
10.1038/s41598-019-48490-w
