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

Wang, Yu U.¹ 

[1] Michigan Technological Univ., Houghton, MI (United States)

关键词: Ferroelectric materials;    Phase transformations;    Domain mechanisms;    Phase field modeling;    Computer simulation;   

DOI  :  10.2172/1111107
RP-ID  :  DOE-MTU-ER46674--SC0002196
PID  :  OSTI ID: 1111107

学科分类：材料科学（综合）

美国|英语

来源: SciTech Connect

【 摘 要 】

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).