COMPUTATIONAL MATERIALS DESIGN OF CASTABLE SX NI-BASED SUPERALLOYS FOR IGT BLADE COMPONENTS

COMPUTATIONAL MATERIALS DESIGN OF CASTABLE SX NI-BASED SUPERALLOYS FOR IGT BLADE COMPONENTS

Award Information
Agency: Department of Energy
Branch: N/A
Contract: DE-SC0009592
Agency Tracking Number: 222446
Amount: $999,782.00
Phase: Phase II
Program: SBIR
Awards Year: 2016
Solicitation Year: 2016
Solicitation Topic Code: 12c
Solicitation Number: DE-FOA-0001405
Small Business Information
1820 Ridge Avenue, Evanston, IL, 60201-3621
DUNS: 088176961
HUBZone Owned: N
Woman Owned: N
Socially and Economically Disadvantaged: N
Principal Investigator
 Jiadong Gong
 Dr.
 (847) 425-8221
 jgong@questek.com
Business Contact
 Raymond Genellie
Title: Mrs.
Phone: (847) 425-8215
Email: vcolburn@questek.com
Research Institution
N/A
Abstract
Phase I efforts will focus on finding HEA compositions that exhibit suitable phase equilibria for blade applications (e.g. FCC/L1 2 two phase equilibria). The search will begin with the construction and validation of a large CALPHAD (CALculation of PHAse Diagrams) thermodynamic database specifically designed for HEA compositions, as current CALPHAD databases are not sufficiently accurate at equiatomic compositions. Such CALPHAD databases are an essential component of any materials design effort and will offer quantitative predictions of phase stability. The HEA database will be based on experimental data as well as exhaustive high-throughput density functional theory (DFT) calculations of the mixing enthalpies for all combinatorially possible FCC, BCC, and L1 2 ternary solid solutions. DFT calculations will be performed at the University of Illinois at Urbana-Champaign National Center for Supercomputing Applications. Potential IGT HEA compositions will be identified using the HEA CALPHAD database and then experimentally verified by lab-scale alloy synthesis and characterization. Phase II will consist of applying QuesTek’s Integrated Computational Materials Engineering (ICME) technologies on promising Phase I HEAs to optimize composition and processing for improved strength and stability. The feasibility and commercialization of HEA turbine blades will be examined on full-scale prototypes, with full heats of the alloys produced by a specialty alloys producer and blade components tested by an IGT OEM. Phase II will also include extension of the HEA CALPHAD database with additional elements and phases from high-throughput DFT calculations. This will enable the prediction of additional HEA compositions and exploration of the effect of minor alloying elements (e.g. C, N, and S) on HEA properties.

* Information listed above is at the time of submission. *

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