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Title: Atomic-scale to Meso-scale Simulation Studies of Thermal Ageing and Irradiation Effects in Fe- Cr Alloys

Abstract

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

Authors:
 [1];  [2]
  1. Boston Univ., Boston, MA (United States)
  2. (Emily) [Rensselaer Polytechnic Inst., Troy, NY (United States)
Publication Date:
Research Org.:
Battelle Energy Alliance, LLC, Columbus, OH (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Wind Energy Technologies Office (EE-4WE); USDOE Office of Nuclear Energy (NE)
OSTI Identifier:
1439974
Report Number(s):
12-3382
12-3382
DOE Contract Number:  
AC07-05ID14517
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English

Citation Formats

Stanley, Eugene, and Liu, Li. Atomic-scale to Meso-scale Simulation Studies of Thermal Ageing and Irradiation Effects in Fe- Cr Alloys. United States: N. p., 2018. Web. doi:10.2172/1439974.
Stanley, Eugene, & Liu, Li. Atomic-scale to Meso-scale Simulation Studies of Thermal Ageing and Irradiation Effects in Fe- Cr Alloys. United States. doi:10.2172/1439974.
Stanley, Eugene, and Liu, Li. Tue . "Atomic-scale to Meso-scale Simulation Studies of Thermal Ageing and Irradiation Effects in Fe- Cr Alloys". United States. doi:10.2172/1439974. https://www.osti.gov/servlets/purl/1439974.
@article{osti_1439974,
title = {Atomic-scale to Meso-scale Simulation Studies of Thermal Ageing and Irradiation Effects in Fe- Cr Alloys},
author = {Stanley, Eugene and Liu, Li},
abstractNote = {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},
doi = {10.2172/1439974},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue May 22 00:00:00 EDT 2018},
month = {Tue May 22 00:00:00 EDT 2018}
}

Technical Report:

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