Computational System Dynamics (Computational Design of Multiscale Systems)


Graphic output from VE-suite of a simulation of<br/>the response of part of a part to an external load.
Graphic output from VE-suite of a simulation of
the response of part of a part to an external load.
Ames National Laboratory
Website:  Ames National Laboratory
Award Number:  FWP-AL-14-450-012
Project Duration:  10/01/2014 – 09/30/2018
Total Award Value:  $791,000
DOE Share:  $791,000
Performer Share:  $0
Technology Area:  Coal Utilization Science
Key Technology:  High Performance Materials
Location:  Ames, IA

Project Description

NETL is partnering with Ames National Laboratory to develop computational algorithms, strategies, and informational framework needed to design materials in an integrated manner across length and time scales, creating the ability to design and tailor material properties for specific applications. The overall objective of the project is to provide a capability to assess degradation mechanisms and improve the reliability of refractory alloys for coal gasification and related processes.

The project will investigate potential alloy formulations using progressively more accurate thermodynamic methods; conduct critical experiments to test the accuracy of the calculations; evaluate each alloy’s key mechanical, thermal, and oxidation properties; and screen alloys showing the greatest potential for high-performance thermochemical stability using state-of-the-art thermal analysis, high-temperature X-ray diffraction analysis, and microstructural evaluation with electron microscopy.

Project Benefits

The resulting tool will allow researchers to narrow down possible alloy formulations from tens of thousands to a manageable number of combinations that are most likely to succeed.

Contact Information

Federal Project Manager 
Charles E. Miller:
Technology Manager 
Briggs White:
Principal Investigator 
Kenneth Mark Bryden:

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