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Institute of Fusion Energy and Nuclear Waste Management – Nuclear Waste Management (IFN-2) (Forschungszentrum Jülich)
The dataverse of the Institute of Fusion Energy and Nuclear Waste Management – Nuclear Waste Management (IFN-2)
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Simulation data for: The anisotropy of barite during crystal growth and the uptake of Radium
Simulation data for: The anisotropy of barite during crystal growth and the uptake of Radium
Mar 20, 2024
Rudin, Stefan; Kowalski, Piotr; Klinkenberg, Martina; Bosbach, Dirk; Brandt, Felix, 2024, "Simulation data for: The anisotropy of barite during crystal growth and the uptake of Radium", https://doi.org/10.26165/JUELICH-DATA/TMXM7D, Jülich DATA, V1
The role of Ba2+ kink-site nucleation and step growth for the kinetics of anisotropic barite-(001) growth and Ra2+ kink-site nucleation for the activation energy of Ra uptake into the barite structure was investigated using atomistic modeling approaches. Ba2+ and Ra2+ kink-site n...
Ba2+-acute-high-end.txt
Plain Text - 7.7 KB - SHA-256: d5266fd397aeb1f1ceb37f510c09a3ba69fd0bd09faf589183eecdabcb6d6fea
Ba2+-acute-high-inner-sphere.txt
Plain Text - 7.7 KB - SHA-256: 77a84181026dfcbcfdc59b7f33e8dc2e4c577a834474aee22080d582e76e1f1e
Ba2+-acute-high-start.txt
Plain Text - 7.7 KB - SHA-256: a34736a08d91ad6df9baa1da6fa791525de973372e6bbf7db3bb9f91a978b61d
Ba2+-acute-high.txt
Plain Text - 12.3 KB - SHA-256: 6cd5062d1fd150423b6d24513226b824be4d939a9500d16f2525cef6daf04b0a
Ba2+-acute-low-end.txt
Plain Text - 7.7 KB - SHA-256: 4bc7f5faaea787dcd7434c05951eb7fb3c7026c7e9a81d8ca625a754b942d451
Ba2+-acute-low-inner-sphere.txt
Plain Text - 7.7 KB - SHA-256: c769f554857683115697c6f3296ebcf67799506669d5907f1382cbda95fe0d54
Ba2+-acute-low-start.txt
Plain Text - 7.7 KB - SHA-256: 034611036b840e8eb7a06b43bc5e9e5822da4f99967857abb60ab18cfe08f816
Ba2+-acute-low.txt
Plain Text - 12.4 KB - SHA-256: 029f44a132416062f7fa3c351c40905b355a373b19d2970c1807bc05040b54e2
Ba2+-attachment-path-acute-high-Movie.xyz
chemical/x-xyz - 181.6 KB - SHA-256: f584d9265a163341012b77c4d7333891c7eb4877e23b34d77265241a798a8007
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