The main objective of this paper is to investigate and analyse the thermo-hydro-mechanical（THM） coupling phenomena and their influences on the repository safety.In this paper,the high-level waste（HLW） disposal con...The main objective of this paper is to investigate and analyse the thermo-hydro-mechanical（THM） coupling phenomena and their influences on the repository safety.In this paper,the high-level waste（HLW） disposal concept in drifts in clay formation with backfilled bentonite buffer is represented numerically using the CODE BRIGHT developed by the Technical University of Catalonia in Barcelona.The parameters of clay and bentonite used in the simulation are determined by laboratory and in situ experiments.The calculation results are presented to show the hydro-mechanical（HM） processes during the operation phase and the THM processes in the after-closure phase.According to the simulation results,the most probable critical processes for the disposal project have been represented and analyzed.The work also provides an input for additional development regarding the design,assessment and validation of the HLW disposal concept.展开更多
In this work, we have studied the vacancy formation energy of TiN alloy of structure B2 of size 10 × 10 × 10 for nitrogen percentages of 45%, 50% and 55% under the influence of temperature at 1320 K, 1420 K ...In this work, we have studied the vacancy formation energy of TiN alloy of structure B2 of size 10 × 10 × 10 for nitrogen percentages of 45%, 50% and 55% under the influence of temperature at 1320 K, 1420 K and 1520 K using the Modified Embedded Atom Method MEAM under the calculation code LAMMPS version 2020. This study has enabled us to understand the behavior of the TiN alloy under different nitrogen percentages in terms of total energy, vacancy formation energy, crystalline parameter, occupancy rate and order parameter. For total energy, we have shown that as temperature increases, total energy decreases, making it easier to obtain TiN at higher temperatures;reaching the value of -7344.9169 eV for the 55% nitrogen structure for the temperature of 1420 K. For the energy of formation, we have shown that the compounds obtained at 1320 K and 1520 K have a more considerable energy of formation than that obtained at 1420 K. The study of fractions and the order parameter showed us that the structure of TiN with 55% nitrogen is less likely, as the composition obtained is at most 53.35%.展开更多
基金financed and supported by the German research institute "Gesellschaft für Anlagen-und Reaktorsicherheit (GRS) mbH"
文摘The main objective of this paper is to investigate and analyse the thermo-hydro-mechanical（THM） coupling phenomena and their influences on the repository safety.In this paper,the high-level waste（HLW） disposal concept in drifts in clay formation with backfilled bentonite buffer is represented numerically using the CODE BRIGHT developed by the Technical University of Catalonia in Barcelona.The parameters of clay and bentonite used in the simulation are determined by laboratory and in situ experiments.The calculation results are presented to show the hydro-mechanical（HM） processes during the operation phase and the THM processes in the after-closure phase.According to the simulation results,the most probable critical processes for the disposal project have been represented and analyzed.The work also provides an input for additional development regarding the design,assessment and validation of the HLW disposal concept.
文摘In this work, we have studied the vacancy formation energy of TiN alloy of structure B2 of size 10 × 10 × 10 for nitrogen percentages of 45%, 50% and 55% under the influence of temperature at 1320 K, 1420 K and 1520 K using the Modified Embedded Atom Method MEAM under the calculation code LAMMPS version 2020. This study has enabled us to understand the behavior of the TiN alloy under different nitrogen percentages in terms of total energy, vacancy formation energy, crystalline parameter, occupancy rate and order parameter. For total energy, we have shown that as temperature increases, total energy decreases, making it easier to obtain TiN at higher temperatures;reaching the value of -7344.9169 eV for the 55% nitrogen structure for the temperature of 1420 K. For the energy of formation, we have shown that the compounds obtained at 1320 K and 1520 K have a more considerable energy of formation than that obtained at 1420 K. The study of fractions and the order parameter showed us that the structure of TiN with 55% nitrogen is less likely, as the composition obtained is at most 53.35%.
