Atomistic modeling of radionuclide-bearing materials for safe management of high level nuclear waste.

CoordinatorKowalski, Piotr
Grant period2018-11-01 - 2019-10-31
Funding bodyVSR/JARA
IdentifierG:(DE-Juel1)jiek61_20181101

Investigation of the new materials for safe management of high level nuclear waste.   Atomistic modeling of radionuclide-bearing materials for safe management of high level nuclear waste.

Note: JSC computation time grant
 

Recent Publications

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The +2 oxidation state of Cr incorporated into the crystal lattice of UO2
Communications materials 1(1), 13 () [10.1038/s43246-020-0014-5] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Formation enthalpy of Ln2B2O7-type (B=Ti,Sn,Hf,Zr) compounds
Scripta materialia 189, 7 - 10 () [10.1016/j.scriptamat.2020.07.048] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Elastic and thermal parameters of lanthanide-orthophosphate (LnPO4) ceramics from atomistic simulations
Journal of the European Ceramic Society 39(14), 4264-4274 () [10.1016/j.jeurceramsoc.2019.05.038]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Controlling Oxygen Defect Formation and Its Effect on Reversible Symmetry Lowering and Disorder-to-Order Phase Transformations in Nonstoichiometric Ternary Uranium Oxides
Inorganic chemistry 58(9), 6143-6154 () [10.1021/acs.inorgchem.9b00406]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Unprecedented Inversion of Selectivity and Extraordinary Difference in the Complexation of Trivalent f-Elements by Diastereomers of a Methylated Diglycolamide
Chemistry - a European journal 25(21), 5507-5513 () [10.1002/chem.201806161]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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 Datensatz erzeugt am 2018-11-19, letzte Änderung am 2020-09-21



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