Predictive Simulation and Design of Materials by Quasicontinuum and Accelerated Dynamics Methods
This project developed the hyper-QC multiscale method to make possible the computation of previously inaccessible space and time scales for materials with thermally activated defects. The hyper-QC method combines the spatial coarse-graining feature of a finite temperature extension of the quasicontinuum (QC) method (aka “hot-QC”) with the accelerated dynamics feature of hyperdynamics. The hyper-QC method was developed, optimized, and tested from a rigorous mathematical foundation.
- Publication Date:
- OSTI Identifier:
- Report Number(s):
- DOE Contract Number:
- Resource Type:
- Technical Report
- Research Org:
- Regents of the University of Minnesota, 200 Oak Street S.E., Minneapolis, MN 55455
- Sponsoring Org:
- USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21)
- Country of Publication:
- United States
- 97 MATHEMATICS AND COMPUTING; Quasicontinuum, Accelerated Dynamics
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