Open AccessFinal Technical Report
Author(s) -
Omar M. Knio
Publication year - 2013
Language(s) - English
Resource type - Reports
DOI - 10.2172/1059396
Subject(s) - multiphysics , uncertainty quantification , observable , statistical physics , multiscale modeling , computer science , propagation of uncertainty , molecular dynamics , physics , algorithm , finite element method , computational chemistry , chemistry , machine learning , quantum mechanics , thermodynamics
This is a collaborative proposal that aims to establish theoretical foundations and computational tools that enable uncertainty quantification (UQ) in tightly coupled atomistic-to-continuum multiscale simulations. The program emphasizes the following three research thrusts: 1. UQ and its propagation in atomistic simulations, whether through intrusive or nonintrusive approaches; 2. Extraction of macroscale observables from atomistic simulations and propagation across scales; and 3. Uncertainty quantification and propagation in continuum simulations for macroscale properties tightly coupled with instantaneous states of the atomistic systems. Thus, the project offers to enable the use of multiscale multiphysics simulations as predictive design tools for complex systems