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Title: SISGR -- Domain Microstructures and Mechanisms for Large, Reversible and Anhysteretic Strain Behaviors in Phase Transforming Ferroelectric Materials

This four-year project (including one-year no-cost extension) aimed to advance fundamental understanding of field-induced strain behaviors of phase transforming ferroelectrics. We performed meso-scale phase field modeling and computer simulation to study domain evolutions, mechanisms and engineering techniques, and developed computational techniques for nanodomain diffraction analysis; to further support above originally planned tasks, we also carried out preliminary first-principles density functional theory calculations of point defects and domain walls to complement meso-scale computations as well as performed in-situ high-energy synchrotron X-ray single crystal diffraction experiments to guide theoretical development (both without extra cost to the project thanks to XSEDE supercomputers and DOE user facility Advanced Photon Source).
Authors:
 [1]
  1. Michigan Technological Univ., Houghton, MI (United States)
Publication Date:
OSTI Identifier:
1111107
Report Number(s):
DOE-MTU-ER46674--SC0002196
DOE Contract Number:
SC0002196
Resource Type:
Technical Report
Research Org:
Michigan Technological Univ., Houghton, MI (United States)
Sponsoring Org:
USDOE SC Office of Basic Energy Sciences (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE Ferroelectric materials, Phase transformations, Domain mechanisms, Phase field modeling, Computer simulation