First-Principles-Based Framework for Discovery and Design of Sustainable Non-Rare-Earth High-Temperature Alloy Systems

Award Information
Agency: Department of Defense
Branch: Air Force
Contract: FA9550-13-C-0034
Agency Tracking Number: O12B-T06-1001
Amount: $99,955.00
Phase: Phase I
Program: STTR
Awards Year: 2013
Solicitation Year: 2012
Solicitation Topic Code: OSD12-T06
Solicitation Number: 2012.B
Small Business Information
CFD Research Corporation
215 Wynn Dr., 5th Floor, Huntsville, AL, -
DUNS: 185169620
HUBZone Owned: N
Woman Owned: Y
Socially and Economically Disadvantaged: N
Principal Investigator
 Hyunwook Kwak
 Research Engineer
 (256) 726-4800
 proposals-contracts@cfdrc.com
Business Contact
 Deb Phipps
Title: Contracts Manager
Phone: (256) 726-4884
Email: dap@cfdrc.com
Research Institution
 University of Nebraska
 Renat S Professor
 125 Durham Science Cntr.
Omaha, NE, 68182-0266
 (402) 554-3720
 Nonprofit college or university
Abstract
In this STTR Phase I project, CFD Research Corporation and University of Nebraska at Omaha will develop a preliminary computationally-driven first-principles framework for discovery and design of non-RE-containing alloys for high temperature applications. While rare-earth (RE) based alloys have played a pivotal role in modern defense and high-tech industry, sustainability of RE-based materials is being questionable. New design framework for non-RE high performance materials proposed in this work is powered by state-of-the-art first-principles methods identifying the relationship between the atomic configuration and thermo-mechanical/magnetic properties of the material. During Phase I, we will focus on demonstrating the feasibility of the approach by investigating the thermodynamic stability, magnetic anisotropy, and mean-field estimated Curie temperatures of proposed selenide structures. Successful completion of Phase I effort will be bridged to the Phase II work where a wider range of candidate materials will be examined and screened out for further computational and experimental investigation. Phase II work will also introduce multiscale simulation technique and promote experimental synthesis and characterization of several prominent candidate materials for confirmation of their magnetic performance.

* information listed above is at the time of submission.

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