We consider global sensitivity analysis (GSA) for correlated parameters in a continuum phase-field model for ferroelectric materials. The model was previously calibrated using density functional theory (DFT) simulations. For single domain ferroelectric lead titanate crystals, GSA is employed to rank the sensitivity of phenomenological parameters governing the Landau energy surface. The sensitivity analysis is based on Sobol’s variance-based decomposition in which the component functions of the high-dimensional representation (HDMR) of the model are computed analytically. For the subset of parameters that are most correlated, high-order component functions and sensitivity indices are found to be significant.
Lider S. Leon, Ralph C. Smith, Wiiliam S. Oates, and Paul Miles, "Global sensitivity analysis for a quantum informed ferroelectric phase field model," Proc. SPIE 10165, Behavior and Mechanics of Multifunctional Materials and Composites 2017, 1016508 (Presented at SPIE Smart Structures and Materials + Nondestructive Evaluation and Health Monitoring: March 26, 2017; Published: 11 April 2017); https://doi.org/10.1117/12.2259945.
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