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Analysis of the U L<sub>3</sub>-edge X-ray absorption spectra in UO<sub>2</sub> using molecular dynamics simulations
Bocharov, D., Chollet, M., Krack, M., Bertsch, J., Grolimund, D., Martin, M., … Kotomin, E. (2017). Analysis of the U L3-edge X-ray absorption spectra in UO2 using molecular dynamics simulations. Progress in Nuclear Energy, 94, 187-193. https://doi.org/10.1016/j.pnucene.2016.07.017
New insights in the fuel grain subdivision during in-plant irradiation up to high burn-up
Chollet, M., Cozzo, C., Bertsch, J., Martin, M., Grolimund, D., & Samson, V. A. (2017). New insights in the fuel grain subdivision during in-plant irradiation up to high burn-up (p. (9 pp.). Presented at the Water reactor fuel performance meeting 2017 (WRFPM 2017). .
Positron annihilation spectroscopy study of lattice defects in non-irradiated doped and un-doped fuels
Chollet, M., Krsjak, V., Cozzo, C., & Bertsch, J. (2017). Positron annihilation spectroscopy study of lattice defects in non-irradiated doped and un-doped fuels. EPJ Nuclear Sciences and Technologies, 3, 3 (5 pp.). https://doi.org/10.1051/epjn/2016040
SiC cladding behavior: experiments and modelling at PSI
Cozzo, C., Bertsch, J., Fave, L., Rahman, S., Dokhane, A., Krack, M., … Pytel, M. (2017). SiC cladding behavior: experiments and modelling at PSI (p. (10 pp.). Presented at the Water reactor fuel performance meeting 2017 (WRFPM 2017). .
Combined XAFS spectroscopy and ab initio study on the characterization of iron incorporation by montmorillonite
Kéri, A., Dähn, R., Krack, M., & Churakov, S. V. (2017). Combined XAFS spectroscopy and ab initio study on the characterization of iron incorporation by montmorillonite. Environmental Science and Technology, 51(18), 10585-10594. https://doi.org/10.1021/acs.est.7b01670
Periodic continuum solvation model integrated with first-principles calculations for solid surfaces
Yin, W., Krack, M., Li, X., Chen, L., & Liu, L. (2017). Periodic continuum solvation model integrated with first-principles calculations for solid surfaces. Progress in Natural Science: Materials International, 27(2), 283-288. https://doi.org/10.1016/j.pnsc.2017.03.003
Ab initio molecular dynamics simulations of the Sc K-edge EXAFS of scandium trifluoride
Bocharov, D., Krack, M., Kalinko, A., Purans, J., Rocca, F., Ali, S. E., & Kuzmin, A. (2016). Ab initio molecular dynamics simulations of the Sc K-edge EXAFS of scandium trifluoride. In J. D. Grunwaldt, M. Hagelstein, & J. Rothe (Eds.), Journal of physics: conference series: Vol. 712. 16th international conference on X-ray absorption fine structure (XAFS16) (p. 012009 (4 pp.). https://doi.org/10.1088/1742-6596/712/1/012009
Interpretation of the U L<sub>3</sub>-edge EXAFS in uranium dioxide using molecular dynamics and density functional theory simulations
Bocharov, D., Chollet, M., Krack, M., Bertsch, J., Grolimund, D., Martin, M., … Kotomin, E. (2016). Interpretation of the U L3-edge EXAFS in uranium dioxide using molecular dynamics and density functional theory simulations. In Journal of physics: conference series: Vol. 712. 16th international conference on X-ray absorption fine structure (XAFS16) (p. 12091 (4 pp.). https://doi.org/10.1088/1742-6596/712/1/012091
Analysis of effects of pellet-cladding bonding on trapping of the released fission gases in high burnup KKL BWR fuels
Brankov, V., Khvostov, G., Mikityuk, K., Pautz, A., Restani, R., Abolhassani, S., … Wiesenack, W. (2016). Analysis of effects of pellet-cladding bonding on trapping of the released fission gases in high burnup KKL BWR fuels. Nuclear Engineering and Design, 305, 559-568. https://doi.org/10.1016/j.nucengdes.2016.06.021
Characterization of the relocated and dispersed fuel in the Halden reactor project LOCA tests based on gamma scan data
Brankov, V., Khvostov, G., Mikityuk, K., Pautz, A., & Wiesenack, W. (2016). Characterization of the relocated and dispersed fuel in the Halden reactor project LOCA tests based on gamma scan data. Nuclear Engineering and Design, 300, 97-106. https://doi.org/10.1016/j.nucengdes.2015.11.023
Developing an in situ EXAFS experiment of microwave-induced gelation
Cozzo, C., Ishizaki, K., Pouchon, M. A., & Vaucher, S. (2016). Developing an in situ EXAFS experiment of microwave-induced gelation. Journal of Sol-Gel Science and Technology, 78(3), 507-513. https://doi.org/10.1007/s10971-016-3992-5
Full core LOCA analysis for BWR/6 - methodology and first results
Cozzo, C., Epiney, A., Canepa, S., Ferroukhi, H., Zerkak, O., Khvostov, G., … Gorzel, A. (2016). Full core LOCA analysis for BWR/6 - methodology and first results. In Top Fuel 2016. LWR fuels with enhanced safety and performance (pp. 1135-1144). American Nuclear Society.
Analysis of selected Halden overpressure tests using the FALCON code
Khvostov, G., & Wiesenack, W. (2016). Analysis of selected Halden overpressure tests using the FALCON code. Nuclear Engineering and Design, 310, 395-409. https://doi.org/10.1016/j.nucengdes.2016.10.033
The effect of excess electron and hole on CO&lt;sub&gt;2&lt;/sub&gt; adsorption and activation on rutile (110) surface
Yin, W. J., Wen, B., Bandaru, S., Krack, M., Lau, M. W., & Liu, L. M. (2016). The effect of excess electron and hole on CO2 adsorption and activation on rutile (110) surface. Scientific Reports, 6, 23298 (9 pp.). https://doi.org/10.1038/srep23298
Modeling of axial distribution of released fission gas in KKL BWR fuel rods during base irradiation
Brankov, V., Khvostov, G., Mikityuk, K., Pautz, A., Restani, R., Abolhassani, S., … Wiesenack, W. (2015). Modeling of axial distribution of released fission gas in KKL BWR fuel rods during base irradiation. In TopFuel 2015. Reactor fuel performance. Conference proceedings. Part 1 (pp. 609-619). European Nuclear Society.
Scalability benchmarking methodology for hybrid parallel core calculations with the code nTRACER
Canepa, S., Krack, M., Ferroukhi, H., & Pautz, A. (2015). Scalability benchmarking methodology for hybrid parallel core calculations with the code nTRACER. In Mathematics and computations, supercomputing in nuclear applications and Monte Carlo international conference (M&C and SNA and MC 2015) (pp. 2819-2831). American Nuclear Society.
Positron annihilation spectroscopy study of lattice defects in non-irradiated doped and un-doped fuels
Chollet, M., Krsjak, V., Cozzo, C., & Bertsch, J. (2015). Positron annihilation spectroscopy study of lattice defects in non-irradiated doped and un-doped fuels. In TopFuel 2015. Reactor fuel performance. Conference proceedings. Part 1 (pp. 502-509). European Nuclear Society.
Theoretical modelling of pristine and chromium-doped UO<sub>2</sub>
Chollet, M., Krack, M., Kuzmin, A., Bertsch, J., Grolimund, D., & Martin, M. (2015). Theoretical modelling of pristine and chromium-doped UO2. Presented at the E-MRS 2015. Lille, France.
On the ground state electronic structure of uranium dioxide
Krack, M. (2015). On the ground state electronic structure of uranium dioxide. Physica Scripta, 90(9), 094014 (7 pp.). https://doi.org/10.1088/0031-8949/90/9/094014
Selection of initial fuel composition for the ESFR core based on the knowledge of its equilibrium closed cycle parameters
Krepel, J., Brankov, V., & Mikityuk, K. (2015). Selection of initial fuel composition for the ESFR core based on the knowledge of its equilibrium closed cycle parameters. In Track 8 - deployment and scenarios (p. (9 pp.). International Atomic Energy Agency.
 

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