Atomic-scale to Meso-scale Simulation Studies of Thermal Ageing and Irradiation Effects in Fe- Cr Alloys
- Boston Univ., Boston, MA (United States)
- Rensselaer Polytechnic Inst., Troy, NY (United States)
In this project, we target at three primary objectives: Molecular Dynamics (MD) code development for Fe-Cr alloys, which can be utilized to provide thermodynamic and kinetic properties as inputs in mesoscale Phase Field (PF) simulations; validation and implementation of the MD code to explain thermal ageing and radiation damage; and an integrated modeling platform for MD and PF simulations. These two simulation tools, MD and PF, will ultimately be merged to understand and quantify the kinetics and mechanisms of microstructure and property evolution of Fe-Cr alloys under various thermal and irradiation environments
- Research Organization:
- Boston Univ., MA (United States)
- Sponsoring Organization:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Wind Energy Technologies Office; USDOE Office of Nuclear Energy (NE)
- DOE Contract Number:
- AC07-05ID14517
- OSTI ID:
- 1439974
- Report Number(s):
- DOE/NEUP-12-3382; 12-3382; TRN: US1902716
- Country of Publication:
- United States
- Language:
- English
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