Prediction of the lattice thermal conductivity of zircon and the cubic and monoclinic phases of zirconia by molecular dynamics simulation

Published 2020 View Full Article

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Title
Prediction of the lattice thermal conductivity of zircon and the cubic and monoclinic phases of zirconia by molecular dynamics simulation
Authors
Keywords
Phonon thermal conductivity, Molecular dynamics, Green-Kubo formalism, Heat current autocorrelation function, Zirconia, Zircon
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 176, Issue -, Pages 109522
Publisher
Elsevier BV
Online
2020-01-15
DOI
10.1016/j.commatsci.2020.109522

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