Contribution to Fusion Materials Semiannual Report

Marian, J ; Meier, W

关键词: ALLOYS;    ATOMS;    DEFECTS;    DISLOCATIONS;    HEAT RESISTING ALLOYS;    IMPLEMENTATION;    IRRADIATION;    MONOCRYSTALS;    PLASTICITY;    PLASTICS;    POINT DEFECTS;    SHEAR;    SIMULATION;    STABILITY;    STEELS;   

DOI  :  10.2172/1037845
RP-ID  :  LLNL-TR-533152
PID  :  OSTI ID: 1037845
Others  :  TRN: US201208%%213

学科分类：材料科学（综合）

美国|英语

来源: SciTech Connect

【 摘 要 】

The objectives of this work are the following: (1) The application of micro and mesoscale modeling techniques to study dislocation properties in ferritic and W-based materials; and (2) The development of computational models and tools to study damage accumulation in >1 dpa (fusion-like) conditions, both for Fe and W-based alloys. The high-temperature strength of structural ferritic alloys (ferritic/martensitic steels, ODS steels, bcc refractory alloys) hinges on the thermal stability of second phase particles and their interactions with dislocations. Irradiation damage can modify the structure and stability of both the particles and dislocations, particularly by the introduction of gas atoms, point defects and point defect clusters. The three aspects of materials strength that we are studying are: (a) Computation of dislocation mobility functions (stress-velocity relations) as a function of temperature and dislocation character. This will be done via molecular dynamics (MD) simulations of single dislocation motion under applied shear stress. This is a fundamental input to dislocation dynamics (DD) simulations and also provides fundamental insights into the high-temperature plastic behavior of ferritic materials. (b) Simulations of dislocation-obstacle interactions using MD and DD. This subtask includes simulating the effect on dislocation glide of precipitates (e.g., {alpha}' Cr precipitates), ODS particles, and irradiation induced defect clusters (e.g. voids, dislocation loops, etc.). (c) Implementation of this information (dislocation mobilities and dislocation-defect interaction rules) into DD codes that will allow us to study plasticity of single crystals Fe alloys under relevant irradiation conditions.