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Data Flow Between Experiment, Continuum Models, and Atomistic Models

May 22, 2024

A key challenge of learning from the outcomes of experiments and simulations is consistency of data formats and analysis techniques.  We have developed the ability to seamlessly integrate findings from atomistic simulations, mesoscale simulations, and experiments.  By using the same data structures, we are able tomove data and results back and forth between the different simulations and experiments and analyze the results with exactly the same computer programs, ensuring that the findings from different techniques are comparable.  This outcome will make it possible to refine simulation techniques based on experimental findings and understand mechanisms of grain boundary migration.  Reaching this goal demanded a close interaction among all of the project participants and a fully  collaborative environment.

Authors

Gregory S. Rohrer, Carnegie Mellon University

Additional Materials

U.S. National Science Foundation and NSF DMREF, Materials for Our Future

This material is based upon work supported by the U.S. National Science Foundation Award No. 2015237. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the U.S. National Science Foundation. This site is maintained collaboratively by principal investigators with NSF DMREF awards, independent of the NSF.