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Opportunity at National Institute of Standards and Technology (NIST)

Assessment of Uncertainty in Computational Thermodynamics

Location

Material Measurement Laboratory, Materials Science and Engineering Division

RO# Location
50.64.21.B8372 Gaithersburg, MD

Please note: This Agency only participates in the February and August reviews.

Advisers

Name E-mail Phone
Kattner, Ursula R. ursula.kattner@nist.gov 301.975.6044

Description

Computational tools for the prediction of materials properties are essential for materials design methods. Equally important is the knowledge of the uncertainty associated with the results from these tools. A number of computational materials science tools are built on computational thermodynamics. The CALPHAD (CALculation of PHAse Diagrams) method is a proven, indispensable tool in this endeavor but lacks uncertainty quantification of the results. Development of a systematic approach for rigorous assessment of uncertainties in CALPHAD results is needed. This approach should use principles widely adopted in metrology and statistics, and are in harmony with NIST uncertainty guidance documents. The developed models, knowledge, data, and software will be used to further the NIST effort in development of uncertainty quantification tools within the framework of the Materials Genome Initiative.

 

Keywords:
Computational thermodynamics; CALPHAD; Materials Genome Initiative; Uncertainty quantification; Statistics; Numerical analysis;

Eligibility

Citizenship:  Open to U.S. citizens
Level:  Open to Postdoctoral applicants
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