University of Connecticut

Events Calendar

Physics Colloquium

Friday, November 9, 2018
3:30pm – 4:30pm

Storrs Campus
GW038

Prof. Serge M. Nakhmanson, Department of Materials Science & Engineering, and Institute of Materials Science, University of Connecticut

Mesoscale simulations of ferroic functionalities with finite elements: MOOSE, Ferret and other animals

Ferret is an open-source highly scalable real-space finite-element-method (FEM) based code for simulating transitional behavior of materials systems with coupled physical properties at mesoscale. This code is built on MOOSE, Multiphysics Object Oriented Simulation Environment, and is being developed by a team of collaborators at the University of Connecticut and Argonne National Laboratory. MOOSE allows efficient solving of coupled-physics problems, has a proven record of scaling of execution on up to 10K nodes, and is easily extendable to include new physics and couplings. Real-space FEM approach allows treatment of materials systems possessing complicated geometry and morphology, and evaluation of property dependencies on the system shape, size, microstructure and applied boundary conditions. In this presentation we provide an overview of computational approach utilized by the code, as well as its technical features and the associated software within its tool chain. We also highlight a variety of examples of the code applications, some of which are being pursued in collaboration with a number of different experimental groups. These applications include (a) evaluation of size- and microstructure-dependent elastic and electronic properties of semiconducting core-shell nanostructures; (b) investigation of transitional behavior and topological phases in ferroelectric films, islands, particles and particle-based ferroelectric/dielectic materials; and (c) understanding the workings of photoelectric and electro-optic effects in piezoelectric and ferroelectric materials and nanostructures.

SN acknowledges the efforts of his students John Mangeri, Krishna Chaitanya Pitike and Lukasz Kuna, and senior collaborators S. Pamir Alpay (UConn), and Olle G. Heinonen (ANL), all of whom made major contributions to the projects discussed in this presentation. Funding support from the U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists, Office of Science Graduate Student Research (SCGSR) program is acknowledged. The SCGSR program is administered by the Oak Ridge Institute for Science and Education (ORISE) for the US Department of Energy. ORISE is managed by ORAU under contract number DE-SC0014664. US National Science Foundation (award number DMR 1309114) is also acknowledged for partial funding of some activities related to the development of the Ferret code.

Contact:

Prof. Peter Schweitzer

Physics Department (primary), UConn Master Calendar

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