Condensed Matter Physics Seminar

Speaker: Wei Lai, Michigan State University Chemical Engineering & Materials Science

Title:  Rattling or Diffusing: atomic dynamics from combined computational and experimental studies

Refreshments available at 3:45 pm.

Date: Mon, 25 Sep 2017, 4:10 pm – 5:10 pm

Type: Seminar

Location: 1400 BPS Bldg.

Abstract:
Various materials properties, e.g. structural, thermal, electrical, are strongly affected by atomic dynamics. However, our understanding of atomic dynamics in complex multicomponent materials are often limited because the desired spatial (Å), temporal (ps), and chemical (element) resolutions are often difficult to achieve with a single probe. In this talk, I will illustrate our combined computational and experimental efforts to study anomalous vibrational (rattling) and diffusive dynamics of two energy materials: tetrahedrite thermoelectrics and lithium garnet oxide superionics, using computational (force-field and DFT base molecular dynamics simulation) and experimental probes (synchrotron diffraction, EXAFS, neutron total-scattering, quasi-elastic neutron scattering, etc). Insight into the ratting dynamics of Cu in tetrahedrites and diffusive dynamics of Li in garnets will be presented and discussed.