Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session D02: Ferroelectrics and Relaxors
3:00 PM–6:00 PM,
Monday, March 4, 2024
Room: L100B
Sponsoring
Unit:
DMP
Chair: Mahmoud Asmar, Kennesaw State University
Abstract: D02.00008 : Understanding Switching in Hexagonal Ferroelectrics by Combining Large-scale Reactive MD and Experiments*
4:24 PM–4:36 PM
Presenter:
Abhijeet S Dhakane
(University of Tennessee / Oak Ridge National Laboratory)
Authors:
Abhijeet S Dhakane
(University of Tennessee / Oak Ridge National Laboratory)
Alireza Sepehrinezhad
(Pennsylvania State University)
Kyle P Kelly
(Oak Ridge National Laboratory)
Adri C.T. van Duin
(Pennsylvania State University)
Ganesh Panchapakesan
(Oak Ridge National Laboratory)
*Large-scale simulations and data-analytics is led by the Center for Nanophase Materials Sciences (CNMS), which is a US Department of Energy, Office of Science User Facility at Oak Ridge National Laboratory. ReaxFF fitting and initial small-scale simulations were performed by AS and ACTvD at Penn State University with funding from AFOSR/MURI FA9550-19-1-0008 and DoE/EFRC 3DFeM DE-SC0021118. Experiments by KK acknowledge CNMS user program with funding from DoE/EFRC 3DFeM DE-SC0021118.
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