Speaker
Thomas Purcell
(Fritz Haber Institute)
Description
Quantitatively understanding the link between anharmonicity and thermal conductivity, $\kappa$, is pivotal to the search for better thermal insulators. To help find this link we present new descriptors of $\kappa$ based on our new measure of anharmonicity, $\sigma^\mathrm{A}$. Using an updated sure-independence screening and sparsifying operator (SISSO) method, we find analytical expressions with symbolic regression and generate expressions for $\kappa_L$ that are competitive with those previously reported in the literature using only a third of the primary features. Finally, we discuss the implications of the new models on future materials design.
Primary authors
Thomas Purcell
(Fritz Haber Institute)
Prof.
Matthias Scheffler
(Fritz Haber Institute)
Dr
Luca Ghiringhelli
(Fritz Haber Institute)
Dr
Christian Carbogno
(Fritz Haber Institute)
