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About this Symposium
Meeting MS&T21: Materials Science & Technology
Symposium Phonon Properties of Materials: Modeling and Experimentation
Sponsorship TMS Advanced Characterization, Testing, and Simulation Committee
TMS: Energy Conversion and Storage Committee
Organizer(s) Murali Gopal Muraleedharan, Oak Ridge National Laboratory
Zhe Cheng, University of Illinois at Urbana-Champaign
Kiarash Gordiz, Massachusetts Institute of Technology
Scope Understanding and controlling phonon properties of materials are important to applications such as thermoelectric power generation, thermal management, solid state ion conduction, catalysis, etc. With the advancements in computational methods like ab initio and atomistic simulations, data-driven methods and thermal metrology, we are now able to predictively model and probe phonon properties accurately and design and engineer materials with desired properties. This symposium focuses on understanding phonon properties relevant to inorganic, organic, lower dimensional, disordered materials as well as discussing novel modeling methods, data-driven strategies, and experimental methods. The topics of presentations are sought to include but not limited to:

- Ab initio lattice dynamics and Peierls Boltzmann transport equation methods
- Molecular dynamics methods, phonon potentials
- Mesoscale modeling methods
- Machine learning based phonon property evaluation and materials design/search
- Experimental measurement of phonon properties

Abstracts Due 04/15/2021
PRESENTATIONS APPROVED FOR THIS SYMPOSIUM INCLUDE

Experimental and Computational Thermal Conductivity Reduction in Single Crystal Thorium Dioxide from Lattice Defects
High-temperature Heat Transport in Anharmonic Systems at the Nanoscale
Phonons and Twisting Symmetries in Non-symmorphic Materials
Tailoring Thermal Transport in Insulators Using Energetic Ions
Transfer Learning for Phonon and Thermal Property Predictions
Understanding Ionic Conduction Mechanisms in Glassy Electrolytes Using MD Vibrational Analysis


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