The interaction of P atoms and radiation defects with grain boundaries in an alpha-Fe matrix

Classical molecular dynamics simulations have been employed to investigate the influence of P impurity atoms close to grain boundaries in α-Fe. Static calculations have been performed to determine the energetics of P and Fe defects in the grain boundary region for three symmetrical tilt grain bounda...

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Bibliographic Details
Main Authors: Hurryramsingh Hurchand, Steven Kenny, Roger Smith
Format: Default Article
Published: 2005
Subjects:
Geochemistry not elsewhere classified
Other mathematical sciences not elsewhere classified
Molecular dynamics
Phosphorous
Iron
Radiation defects
Geochemistry
Mathematical Sciences not elsewhere classified
Online Access:https://hdl.handle.net/2134/11641
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