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Author Otis, Richard A. ♦ Liu, Zi Kui
Source SpringerLink
Content type Text
Publisher Springer US
File Format PDF
Copyright Year ©2017
Language English
Subject Domain (in DDC) Technology ♦ Engineering & allied operations
Subject Keyword Engineering ♦ Chemistry/Food Science ♦ Physics ♦ Environment ♦ Earth Sciences
Abstract One foundational component of the integrated computational materials engineering (ICME) and Materials Genome Initiative is the computational thermodynamics based on the calculation of phase diagrams (CALPHAD) method. The CALPHAD method pioneered by Kaufman has enabled the development of thermodynamic, atomic mobility, and molar volume databases of individual phases in the full space of temperature, composition, and sometimes pressure for technologically important multicomponent engineering materials, along with sophisticated computational tools for using the databases. In this article, our recent efforts will be presented in terms of developing new computational tools for high-throughput modeling and uncertainty quantification based on high-throughput, first-principles calculations and the CALPHAD method along with their potential propagations to downstream ICME modeling and simulations.
ISSN 10474838
Age Range 18 to 22 years ♦ above 22 year
Educational Use Research
Education Level UG and PG
Learning Resource Type Article
Publisher Date 2017-03-23
Publisher Institution The Minerals, Metals & Materials Society (TMS)
Publisher Place New York
e-ISSN 15431851
Journal JOM
Volume Number 69
Issue Number 5
Page Count 7
Starting Page 886
Ending Page 892


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Source: SpringerLink