Uncertainty Quantification in Multiscale Simulation of Materials: A Prospective
Simulation has long since joined experiment and theory as a valuable tool to address materials problems. Analysis of errors and uncertainties in experiment and theory is well developed; such analysis for simulations, particularly for simulations linked across length scales and timescales, is much less advanced. In this prospective, we discuss salient issues concerning uncertainty quantification (UQ) from a variety of fields and review the sparse literature on UQ in materials simulations. As specific examples, we examine the development of atomistic potentials and multiscale simulations of crystal plasticity. We identify needs for conceptual advances, needs for the development of best practices, and needs for specific implementations.
A. V. Chernatynskiy et al., "Uncertainty Quantification in Multiscale Simulation of Materials: A Prospective," Annual Review of Materials Research, vol. 43, pp. 157 - 182, Annual Reviews Inc., Jul 2013.
The definitive version is available at https://doi.org/10.1146/annurev-matsci-071312-121708
Keywords and Phrases
Atomistic potential; Best practices; Crystal plasticity; Length scale; Multi-scale simulation; Non-additive; Time-scales; Uncertainty quantifications; Experiments; Sensitivity analysis; Uncertainty analysis
International Standard Serial Number (ISSN)
Article - Journal
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01 Jul 2013