Computational System Dynamics (Computational Design of Multiscale Systems) Email Page
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Performer:  Ames National Laboratory Location:  Ames, IA
Project Duration:  10/01/2014 – 09/30/2018 Award Number:  FWP-AL-14-450-012
Technology Area:  Coal Utilization Science Total Award Value:  $791,000
Key Technology:  High Performance Materials DOE Share:  $791,000
Performer Share:  $0

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.

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.

Presentations, Papers, and Publications

Contact Information

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