CCS and Power Systems

Crosscutting Research - University Training and Research


Computational Studies of Physical Properties of Nb-Si Alloy


Performer: Tennessee State University

Project No: FE0003798


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 Details