Multiscale Simulation of Thermo-mechancial Processes in Irradiated Fission-reactor Materials.

Simon R. Phillpot

关键词: BUBBLES;    EDGE DISLOCATIONS;    ELECTRONIC STRUCTURE;    ELECTRONS;    FISSION PRODUCTS;    IRRADIATION;    POINT DEFECTS;    RUTHENIUM;    SEGREGATION;    SIMULATION;    THERMODYNAMICS;    TRANSPORT;    URANIUM DIOXIDE;   

DOI  :  10.2172/1042612
RP-ID  :  FG/ER/4648-8
PID  :  OSTI ID: 1042612
Others  :  TRN: US1203730

美国|英语

来源: SciTech Connect

【 摘 要 】

The work funded from this project has been published in six papers, with two more in draft form, with submission planned for the near future. The papers are: (1) Kinetically-Evolving Irradiation-Induced Point-Defect Clusters in UO{sub 2} by Molecular-Dynamics Simulation; (2) Kinetically driven point-defect clustering in irradiated MgO by molecular-dynamics simulation; (3) Grain-Boundary Source/Sink Behavior for Point Defect: An Atomistic Simulation Study; (4) Energetics of intrinsic point defects in uranium dioxide from electronic structure calculations; (5) Thermodynamics of fission products in UO{sub 2{+-}x}; and (6) Atomistic study of grain boundary sink strength under prolonged electron irradiation. The other two pieces of work that are currently being written-up for publication are: (1) Effect of Pores and He Bubbles on the Thermal Transport Properties of UO2 by Molecular Dynamics Simulation; and (2) Segregation of Ruthenium to Edge Dislocations in Uranium Dioxide.