{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/dissimilar-thermal-transport-properties-in-k","title":"Dissimilar thermal transport properties in $κ$-Ga$_2$O$_3$ and $β$-Ga$_2$O$_3$ revealed by machine-learning homogeneous nonequilibrium molecular dynamics simulations","arxiv_id":"2311.01099","date":"2023-11-02","proceeding":null,"authors":["Xiaonan Wang","Jinfeng Yang","Penghua Ying","Zheyong Fan","Jin Zhang","Huarui Sun"],"abstract":"The lattice thermal conductivity (LTC) of Ga$_2$O$_3$ is an important property due to the challenge in the thermal management of high-power devices. We develop machine-learned neuroevolution potentials for single-crystalline $\\beta$-Ga$_2$O$_3$ and $\\kappa$-Ga$_2$O$_3$, and apply them to perform homogeneous nonequilibrium molecular dynamics simulations to predict their LTCs. The LTC of $\\beta$-Ga$_2$O$_3$ was determined to be 10.3 $\\pm$ 0.2 W/(m K), 19.9 $\\pm$ 0.2 W/(m K), and 12.6 $\\pm$ 0.2 W/(m K) along [100], [010], and [001], respectively, aligning with previous experimental measurements. For the first time, we predict the LTC of $\\kappa$-Ga$_2$O$_3$ along [100], [010], and [001] to be 4.5 $\\pm$ 0.0 W/(m K), 3.9 $\\pm$ 0.0 W/(m K), and 4.0 $\\pm$ 0.1 W/(m K), respectively, showing a nearly isotropic thermal transport property. The reduced LTC of $\\kappa$-Ga$_2$O$_3$ versus $\\beta$-Ga$_2$O$_3$ stems from its restricted low-frequency phonons up to 5 THz. Furthermore, we find that the $\\beta$ phase exhibits a typical temperature dependence slightly stronger than $\\sim T^{-1}$, whereas the $\\kappa$ phase shows a weaker temperature dependence, ranging from $\\sim T^{-0.5}$ to $\\sim T^{-0.7}$.","url_abs":"https://arxiv.org/abs/2311.01099v1","url_pdf":"https://arxiv.org/pdf/2311.01099v1.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"links_only","authors_date_abstract":"arXiv metadata, CC0 1.0 (https://info.arxiv.org/help/license), from the Kaggle arXiv metadata snapshot of 2026-09-12"},"code_links":[{"paper_slug":"dissimilar-thermal-transport-properties-in-k","repo_url":"https://gitlab.com/brucefan1983/nep-data","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":1,"framework":"none","reach":null}],"tasks":[],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"syntology_url":null,"atlas_url":null,"mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}