Atomistic simulations of thermal conductivity in GeTe nanowires. Bosoni, E, Campi, D, Donadio, D, Sosso, G C, Behler, J, & Bernasconi, M Journal of Physics D: Applied Physics, 53(5):054001, January, 2020.
Paper doi abstract bibtex The thermal conductivity of GeTe crystalline nanowires has been computed by means of non-equilibrium molecular dynamics simulations employing a machine learning interatomic potential. This material is of interest for application in phase change non-volatile memories. The resulting lattice thermal conductivity of an ultrathin nanowire (7.3 nm diameter) of 1.57 W m−1 K−1 is sizably lower than the corresponding bulk value of 3.15 W m−1 K−1 obtained within the same framework. The analysis of the phonon dispersion relations and lifetimes reveals that the lower thermal conductivity in the nanowire is mostly due to a reduction in the phonon group velocities. We further predict the presence of a minimum in the lattice thermal conductivity for thicker nanowires.
@article{bosoni_atomistic_2020,
title = {Atomistic simulations of thermal conductivity in {GeTe} nanowires},
volume = {53},
issn = {0022-3727, 1361-6463},
url = {https://iopscience.iop.org/article/10.1088/1361-6463/ab5478},
doi = {10.1088/1361-6463/ab5478},
abstract = {The thermal conductivity of GeTe crystalline nanowires has been computed by means of non-equilibrium molecular dynamics simulations employing a machine learning interatomic potential. This material is of interest for application in phase change non-volatile memories. The resulting lattice thermal conductivity of an ultrathin nanowire (7.3 nm diameter) of 1.57 W m−1 K−1 is sizably lower than the corresponding bulk value of 3.15 W m−1 K−1 obtained within the same framework. The analysis of the phonon dispersion relations and lifetimes reveals that the lower thermal conductivity in the nanowire is mostly due to a reduction in the phonon group velocities. We further predict the presence of a minimum in the lattice thermal conductivity for thicker nanowires.},
language = {en},
number = {5},
urldate = {2019-11-21},
journal = {Journal of Physics D: Applied Physics},
author = {Bosoni, E and Campi, D and Donadio, D and Sosso, G C and Behler, J and Bernasconi, M},
month = jan,
year = {2020},
pages = {054001},
}
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