| 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<sub>2</sub> 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. |