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},
}
Downloads: 0
{"_id":"KiirnQqAthZm366Ey","bibbaseid":"bosoni-campi-donadio-sosso-behler-bernasconi-atomisticsimulationsofthermalconductivityingetenanowires-2020","author_short":["Bosoni, E","Campi, D","Donadio, D","Sosso, G C","Behler, J","Bernasconi, M"],"bibdata":{"bibtype":"article","type":"article","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":[{"propositions":[],"lastnames":["Bosoni"],"firstnames":["E"],"suffixes":[]},{"propositions":[],"lastnames":["Campi"],"firstnames":["D"],"suffixes":[]},{"propositions":[],"lastnames":["Donadio"],"firstnames":["D"],"suffixes":[]},{"propositions":[],"lastnames":["Sosso"],"firstnames":["G","C"],"suffixes":[]},{"propositions":[],"lastnames":["Behler"],"firstnames":["J"],"suffixes":[]},{"propositions":[],"lastnames":["Bernasconi"],"firstnames":["M"],"suffixes":[]}],"month":"January","year":"2020","pages":"054001","bibtex":"@article{bosoni_atomistic_2020,\n\ttitle = {Atomistic simulations of thermal conductivity in {GeTe} nanowires},\n\tvolume = {53},\n\tissn = {0022-3727, 1361-6463},\n\turl = {https://iopscience.iop.org/article/10.1088/1361-6463/ab5478},\n\tdoi = {10.1088/1361-6463/ab5478},\n\tabstract = {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.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2019-11-21},\n\tjournal = {Journal of Physics D: Applied Physics},\n\tauthor = {Bosoni, E and Campi, D and Donadio, D and Sosso, G C and Behler, J and Bernasconi, M},\n\tmonth = jan,\n\tyear = {2020},\n\tpages = {054001},\n}\n\n","author_short":["Bosoni, E","Campi, D","Donadio, D","Sosso, G C","Behler, J","Bernasconi, M"],"key":"bosoni_atomistic_2020","id":"bosoni_atomistic_2020","bibbaseid":"bosoni-campi-donadio-sosso-behler-bernasconi-atomisticsimulationsofthermalconductivityingetenanowires-2020","role":"author","urls":{"Paper":"https://iopscience.iop.org/article/10.1088/1361-6463/ab5478"},"metadata":{"authorlinks":{}}},"bibtype":"article","biburl":"https://api.zotero.org/users/441788/collections/KAFEE4KN/items?key=RfAdjEiyg7kYFw665zCNcSoQ&format=bibtex&limit=100","dataSources":["5x4YgGnYqb2LqdTQ3"],"keywords":[],"search_terms":["atomistic","simulations","thermal","conductivity","gete","nanowires","bosoni","campi","donadio","sosso","behler","bernasconi"],"title":"Atomistic simulations of thermal conductivity in GeTe nanowires","year":2020}