An Integrated Study on a Novel High Temperature High Entropy Alloy Email Page
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Performer:  Southern University and A&M College System Location:  Baton Rouge, Louisiana
Project Duration:  10/01/2013 – 09/30/2016 Award Number:  FE0011550
Technology Area:  University Training and Research Total Award Value:  $199,958
Key Technology:  High Performance Materials DOE Share:  $199,958
Performer Share:  $0

A Body Centered Cubic Ta<sub>20</sub>Nb<sub>20</sub>Hf<sub>20</sub>Zr<sub>20</sub>Ti<sub>20</sub><br/>model: 100 atoms total, 20 atoms for each element.<br/>The blue balls are Ta, yellow balls are Nb, green<br/>balls are Hf, red balls are Zr, and purple balls are Ti.
A Body Centered Cubic Ta20Nb20Hf20Zr20Ti20
model: 100 atoms total, 20 atoms for each element.
The blue balls are Ta, yellow balls are Nb, green
balls are Hf, red balls are Zr, and purple balls are Ti.

Project Description

Southern University and A&M proposes a novel integrated method to improve and design high entropy alloys (HEAs) for high temperature and high pressure gas turbine application and followed by experimental validation. The project will address the high temperature and high pressure oxidation resistance and low temperature ductility problems in materials research for coal energy conversion.

Researchers will: perform molecular dynamics (MD)/Monte Carlo (MC) and interface energy HPC simulation on the HEA models to screen out the potential high temperature and high pressure oxidation resistant and low temperature ductile ODS HEA candidates; perform experiments on the high temperature and high pressure property of the most promising ODS HEA systems from the simulation; train students and integrate the materials design and HPC simulation into course work. The primary theoretical method of investigation is the ab initio molecular dynamics method based on the density functional theory.

Project Benefits

This project will develop a novel integrated method to improve and design HEAs for high temperature and high pressure gas turbine application. The research team will develop an understanding of the atomic-level processes that control high-temperature, high-pressure oxidation and low temperature ductility performance of oxide dispersion strengthened HEAs. Improvement to high-temperature advanced-materials will promote the development of advanced power plant designs that can operate at higher temperatures and pressures, leading to improvements in efficiency, operational flexibility, and lower capital and operating costs.

Presentations, Papers, and Publications

Contact Information

Federal Project Manager Jessica Mullen: jessica.mullen@netl.doe.gov
Technology Manager Robert Romanosky: robert.romanosky@netl.doe.gov
Principal Investigator Shizhong Yang: shizhong_yang@subr.edu