Computational Studies of Physical Properties of Nb-Si Alloy

 

Temperature-dependent elastic constants of 2H-SiC at ambient pressure<br/>(a) the total elastic constants.<br/>(b) Contributions from thermal excitation and zero point energy.
Temperature-dependent elastic constants of 2H-SiC at ambient pressure
(a) the total elastic constants.
(b) Contributions from thermal excitation and zero point energy.
Performer: 
Tennessee State University
Website:  Tennessee State University
Award Number:  FE0003798
Project Duration:  06/17/2010 – 12/30/2013
Total Award Value:  $280,000.00
DOE Share:  $280,000.00
Performer Share:  $0.00
Technology Area:  University Training and Research
Key Technology:  High Performance Materials
Location:  Nashville, Tennessee

Project Description

The overall goal is to provide valuable insight in to the mechanisms and processes that could lead to next generation hot section material operating at temperature beyond 1350°C which could play an important role in current plight towards greener energy. The main objectives of the proposed projects are: (1) developing a supercell approach to evaluate physical properties of alloys which maintains various order and disorder bulk phases and interfaces; (2) applying the supercell approach to study the physical properties of Nb-Si alloy. The results will be used to guide the search for optimal Nb-Si alloy design with a balanced set of physical properties.

Project Benefits

This project will focus on development of Nb-Si alloys that will improve the high-temperature performance of advanced power generation components. Development of these alloys will lead to greater operational flexibility in coal-fired power plants. It will enable cola-fired plants to operate at desired conditions, resulting in improved efficiency leading to reduction of all effluents and waste products, including carbon dioxide.

Contact Information

Federal Project Manager 
Patricia Rawls: Patricia.Rawls@netl.doe.gov
Technology Manager 
Susan Maley: Susan.Maley@netl.doe.gov
Principal Investigator 
Lizhi Ouyang: Louyang@Tnstate.edu
 

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