Uncertainty Quantification in Atomistic Modeling of Metals and Its Effect on Mesoscale and Continuum Modeling: A Review

The design of next-generation alloys through the integrated computational materials engineering (ICME) approach relies on multiscale computer simulations to provide thermodynamic properties when experiments are difficult to conduct. Atomistic methods such as density functional theory (DFT) and molec...

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Bibliographic Details
Published in:	JOM (1989) Vol. 73; no. 1; pp. 149 - 163
Main Authors:	Gabriel, Joshua J., Paulson, Noah H., Duong, Thien C., Tavazza, Francesca, Becker, Chandler A., Chaudhuri, Santanu, Stan, Marius
Format:	Journal Article
Language:	English
Published:	New York Springer US 01.01.2021 Springer Nature B.V Springer
Subjects:	Accuracy Aluminum Approximation Augmenting Physics-based Models in ICME with Machine Learning and Uncertainty Quantification Bayesian analysis Chemistry/Food Science Continuum modeling Density functional theory Earth Sciences Engineering Environment Epistemology Materials engineering MATERIALS SCIENCE Mesoscale phenomena Molecular dynamics Phase diagrams Phase transitions Physics Probability distribution Propagation Simulation Statistical inference Thermodynamic models Thermodynamic properties Uncertainty
ISSN:	1047-4838, 1543-1851
Online Access:	Get full text
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