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- W2940677923 abstract "Since the nineteen-seventies, it was believed that the results of Huang x-ray diffuse scattering from radiation defects proved that a self-interstitial atom (SIA) defect in Mo adopted a $ensuremath{langle}110ensuremath{rangle}$ dumbbell configuration. However, resistivity recovery experiments performed using the same irradiated materials suggested a different, highly mobile, $ensuremath{langle}111ensuremath{rangle}$ SIA defect structure. Using density functional theory calculations, the authors have discovered that an SIA adopts a symmetry-broken $ensuremath{langle}11ensuremath{xi}ensuremath{rangle}$ configuration in chromium, molybdenum and tungsten, where $ensuremath{xi}$ is an irrational number. A $ensuremath{langle}11ensuremath{xi}ensuremath{rangle}$ defect migrates on average one-dimensionally through a sequence of three-dimensional nonplanar transitions, well correlated with the observed defect migration temperatures. Direct simulations of Huang diffuse scattering patterns from $ensuremath{langle}11ensuremath{xi}ensuremath{rangle}$ defect structures agree with observations, fully resolving the problem of the structure of defects in Mo and similar metals." @default.
- W2940677923 created "2019-05-03" @default.
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- W2940677923 date "2019-04-24" @default.
- W2940677923 modified "2023-09-29" @default.
- W2940677923 title "Symmetry-broken self-interstitial defects in chromium, molybdenum, and tungsten" @default.
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- W2940677923 doi "https://doi.org/10.1103/physrevmaterials.3.043606" @default.
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