Computational Studies of Physical Properties of Nb-Si Alloy Email Page
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Performer:  Tennessee State University Location:  Nashville, Tennessee
Project Duration:  06/17/2010 – 12/30/2013 Award Number:  FE0003798
Technology Area:  University Training and Research Total Award Value:  $213,372
Key Technology:  High Performance Materials DOE Share:  $213,372
Performer Share:  $0

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.

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.

Presentations, Papers, and Publications

Contact Information

Federal Project Manager Patricia Rawls: patricia.rawls@netl.doe.gov
Technology Manager Robert Romanosky: robert.romanosky@netl.doe.gov
Principal Investigator Lizhi Ouyang: Louyang@Tnstate.edu