Thermal transport properties. FENS G015 10:30
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FENS G015 10:30

Thermal transport properties of nanostructured carbon and boron
nitride based materials

Cem Sevik
Artie McFerrin Department of Chemical Engineering, Texas A&M University, College
Station, TX 77845-3122, USA
Extraordinary thermal transport properties of carbon and boron nitride based materials
have attracted significant attention of the scientific and engineering communities due to
their potential use in thermoelectric energy conversion and thermal management
applications. However, due to significant variation in thermal conductivity values
reported in experiments, such practical applications have not yet been realized. In order
to shed light on the possible sources of this large deviation in experimental
measurements, and to discover potential mechanisms for controlling thermal transport,
we systematically investigated the lattice thermal transport properties of these
nanostructured materials with non-equilibrium and equilibrium molecular dynamics and
atomistic Green's function methods. In particular, the effects of geometry (length, and
type of edges), isotopic nature, and defects (single- and double-vacancies, Stone Wales
defects) on the phonon transport properties have been extensively studied. Our results
show the significant effect of geometry and defects on lattice thermal conductivity.
Especially, defects (in all structures) and edge roughness (in nanoribbons) have been
predicted as a possible source of large experimental variances.