TY - JOUR
T1 - A practical approach to evaluate lattice thermal conductivity in two-phase thermoelectric alloys for energy applications
AU - Amouyal, Yaron
N1 - Publisher Copyright:
© 2017 by the author.
PY - 2017/4/5
Y1 - 2017/4/5
N2 - Modelling of the effects of materials' microstructure on thermal transport is an essential tool for materials design, and is particularly relevant for thermoelectric (TE) materials converting heat into electrical energy. Precipitates dispersed in a TE matrix act as phonon-scattering centers, thereby reducing thermal conductivity. We introduce a practical approach to tailor a definite precipitate size distribution for a given TE matrix, and implement it for PbTe. We evaluate vibrational properties from first principles, and develop an expression for phonon relaxation time that considers both matrix vibrational properties and precipitate size distribution. This provides us with guidelines for optimizing thermal conductivity.
AB - Modelling of the effects of materials' microstructure on thermal transport is an essential tool for materials design, and is particularly relevant for thermoelectric (TE) materials converting heat into electrical energy. Precipitates dispersed in a TE matrix act as phonon-scattering centers, thereby reducing thermal conductivity. We introduce a practical approach to tailor a definite precipitate size distribution for a given TE matrix, and implement it for PbTe. We evaluate vibrational properties from first principles, and develop an expression for phonon relaxation time that considers both matrix vibrational properties and precipitate size distribution. This provides us with guidelines for optimizing thermal conductivity.
KW - First principles calculations
KW - Lead-telluride-based compounds
KW - Thermal conductivity
KW - Thermoelectric materials
KW - Vibrational properties
UR - http://www.scopus.com/inward/record.url?scp=85017430314&partnerID=8YFLogxK
U2 - 10.3390/ma10040386
DO - 10.3390/ma10040386
M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???
AN - SCOPUS:85017430314
SN - 1996-1944
VL - 10
JO - Materials
JF - Materials
IS - 4
M1 - 386
ER -