Dear All,
Here is the abstract and title of tomorrow’s talk (March 27th) from Maxwell D. Radin:
Title:
The materials physics of intercalation-driven structural transformations in layered
battery materials
Abstract:
One of the factors limiting the performance of Li- and Na-ion batteries is the complex
structural transformations that occur upon intercalation. This includes crystallographic
transformations involving changes in the stacking of layers, as well as phase transitions
associated with collective Jahn-Teller distortions. Many questions remain about how these
transformations affect battery performance and contribute to the fracture and mechanical
damage that limits cycle life. Here we present new models to capture the coupling between
intercalation chemistry and mechanics arising from such structural transformations. This
includes first-principles simulations and mesoscale models to elucidate the thermodynamics
and kinetics of stacking sequence changes, as well as anharmonic vibrational models to
describe the transition from a static to dynamic Jahn-Teller distortion. Key results
include understanding why different intercalants yield different stacking-sequence
changes, and how these transformations can result in irreversible changes to
microstructure. Regarding Jahn-Teller distortions, numerical simulations reveal how the
interplay between the shape of the Jahn-Teller energy landscape and rigidity of the
crystal impact the local structure and thermodynamic properties of dynamically distorted
phases.
On 26 Mar 2018, at 09:19, Loïc M. Roch
<loic_roch(a)fas.harvard.edu> wrote:
Dear All,
Tomorrow (March 26th) we will have a postdoc candidate, Dr. Maxwell D. Radin from the
University of California, Santa Barbara. He will give a talk at 11AM in the division room.
Title and abstract to follow soon.
If you would like to meet with him, please contact me via Slack. Also, let me know if you
would like to join for lunch.
Best,
Loïc