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

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http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Huittinen, N. (Corresponding author) ; Scheinost, A. C. ; Ji, Y.FZJ* ; Kowalski, P.FZJ* ; Arinicheva, Y.FZJ* ; Wilden, A.FZJ* ; Neumeier, S.FZJ* ; Stumpf, T.
A Spectroscopic and Computational Study of Cm 3+ Incorporation in Lanthanide Phosphate Rhabdophane (LnPO 4 ·0.67H2O) and Monazite (LnPO4 )
Inorganic chemistry 57(11), 6252–6265 (2018) [10.1021/acs.inorgchem.8b00095]2018   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Ji, Y.FZJ* ; Beridze, G.FZJ* ; Bosbach, D.FZJ* ; Kowalski, P. M. (Corresponding author)FZJ*
Heat capacities of xenotime-type ceramics: An accurate ab initio prediction
Journal of nuclear materials 494, 172 - 181 (2017) [10.1016/j.jnucmat.2017.07.026]2017   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Huittinen, N. (Corresponding author) ; Arinicheva, Y.FZJ* ; Kowalski, P.FZJ* ; Vinograd, V.FZJ* ; Neumeier, S.FZJ* ; Bosbach, D.FZJ*
Probing structural homogeneity of La$_{1-x}$Gd$_{x}$PO$_{4}$ monazite-type solid solutions by combined spectroscopic and computational studies
Journal of nuclear materials 486, 148 - 157 (2017) [10.1016/j.jnucmat.2017.01.024]2017   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Finkeldei, S. (Corresponding author)FZJ* ; Kegler, P.FZJ* ; Kowalski, P. (Corresponding author)FZJ* ; Schreinemachers, C.FZJ* ; Brandt, F.FZJ* ; Bukaemskiy, A.FZJ* ; Vinograd, V.FZJ* ; Beridze, G.FZJ* ; Shelyug, A. ; Navrotsky, A. ; Bosbach, D.FZJ*
Composition dependent order-disorder transition in Nd$_{x}$Zr$_{1−x}$O$_{2−0.5x}$ pyrochlores: A combined structural, calorimetric and ab initio modeling study
Acta materialia 125, 166 - 176 (2017) [10.1016/j.actamat.2016.11.059]2017   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Kowalski, P. (Corresponding author)FZJ* ; Ji, Y.FZJ* ; Li, Y.FZJ* ; Arinicheva, Y.FZJ* ; Beridze, G.FZJ* ; Neumeier, S.FZJ* ; Bukaemskiy, A.FZJ* ; Bosbach, D.FZJ*
Simulation of ceramic materials relevant for nuclear waste management: Case of La$_{1−x}$Eu$_{x}$PO$_{4}$ solid solution
Nuclear instruments & methods in physics research / B 393, 68–72 (2017) [10.1016/j.nimb.2016.09.029]2017   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Ji, Y. ; Kowalski, P. (Corresponding author)FZJ* ; Neumeier, S.FZJ* ; Deissmann, G.FZJ* ; Kulriya, P. K. ; Gale, J. D.
Atomistic modeling and experimental studies of radiation damage in monazite-type LaPO$_{4}$ ceramics
Nuclear instruments & methods in physics research / B 393, 54-58 (2017) [10.1016/j.nimb.2016.09.031]2017   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Murphy, G. L. ; Kennedy, B. J. (Corresponding author) ; Kimpton, J. A. ; Gu, Q. ; Johannessen, B. ; Beridze, G. ; Kowalski, P.FZJ* ; Bosbach, D.FZJ* ; Avdeev, M. ; Zhang, Z.
Nonstoichiometry in Strontium Uranium Oxide: Understanding the Rhombohedral–Orthorhombic Transition in SrUO$_{4}$
Inorganic chemistry 55(18), 9329–9334 (2016) [10.1021/acs.inorgchem.6b01391]2016   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Beridze, G.FZJ* ; Birnie, A. ; Koniski, S. ; Ji, Y.FZJ* ; Kowalski, P. (Corresponding author)FZJ*
DFT + U as a reliable method for efficient ab initio calculations of nuclear materials
Progress in nuclear energy 92, 142 - 146 (2016) [10.1016/j.pnucene.2016.07.012]2016   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Kowalski, P. (Corresponding author)FZJ* ; Li, Y.FZJ*
Relationship between the thermodynamic excess properties of mixing and the elastic moduli in the monazite-type ceramics
Journal of the European Ceramic Society 36(8), 2093–2096 (2016) [10.1016/j.jeurceramsoc.2016.01.051]2016   Files BibTeX | EndNote: XML, Text | RIS

All known publications ...
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