{"paper":{"title":"Efficient calculations of the Mode-Resolved ab-initio thermal Conductivity in nanostructures","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cond-mat.mes-hall"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Giuseppe Romano","submitted_at":"2021-05-17T22:13:58Z","abstract_excerpt":"First-principles calculations of thermal transport in homogeneous materials have reached remarkable predicting power. Modeling deterministically phonon transport in nanostructures, however, poses novel challenges; notably, it entails solving as many algebraic equations as the number of combinations of wave vectors in the discretized Brillouen and polarizations. We show that, within the relaxation time approximation of the Boltzmann transport equation (BTE), this issue is resolved by interpolating the phonon distributions in the vectorial phonon mean free paths (MFP) space. The coupling between"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2105.08181","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2105.08181/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}