Equivalence of the equilibrium and the nonequilibrium molecular dynamics methods for thermal conductivity calculations: From bulk to nanowire silicon

© 2018 American Physical Society. Molecular dynamics (MD) simulations play an important role in studying heat transport in complex materials. The lattice thermal conductivity can be computed either using the Green-Kubo formula in equilibrium MD (EMD) simulations or using Fourier's law in nonequ...

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Bibliographic Details

Main Authors:	Haikuan Dong, Zheyong Fan, Libin Shi, Ari Harju, Tapio Ala-Nissila
Format:	Default Article
Published:	2018
Subjects:	Other mathematical sciences not elsewhere classified untagged Mathematical Sciences not elsewhere classified
Online Access:	https://hdl.handle.net/2134/33231
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