{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,22]],"date-time":"2025-10-22T00:16:39Z","timestamp":1761092199714,"version":"build-2065373602"},"reference-count":43,"publisher":"MDPI AG","issue":"10","license":[{"start":{"date-parts":[[2025,10,17]],"date-time":"2025-10-17T00:00:00Z","timestamp":1760659200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Computation"],"abstract":"<jats:p>Understanding and controlling thermal rectification is pivotal for designing phononic devices that guide heat flow in a preferential direction. This study investigates one-dimensional atomic chains with binary mass asymmetry and nonlinear interatomic potentials, focusing on how energy propagates under thermal and wave excitation. Two potential models\u2014the \u03b2-FPU and Morse potentials\u2014were employed to examine the role of nonlinearity and bond softness in energy transport. Simulations reveal strong directional energy transport governed by the interplay of mass distribution, nonlinearity, and excitation type. In FPU chains, pronounced rectification occurs: under \u201ccold-heavy\u201d conditions, energy in the left segment increases from ~1% to over 63%, while reverse (\u201chot-heavy\u201d) cases show less than 4% net transfer. For wave-driven excitation, the rectification coefficient reaches ~0.58 at 100:1. In contrast, Morse-based systems exhibit weaker rectification (\u2206E &lt; 1%) and structural instabilities at high asymmetry due to bond breaking. A comprehensive summary and heatmap visualization highlight how system parameters govern rectification efficiency. These findings provide mechanistic insights into nonreciprocal energy transport in nonlinear lattices and offer design principles for nanoscale thermal management strategies based on controlled asymmetry and potential engineering.<\/jats:p>","DOI":"10.3390\/computation13100243","type":"journal-article","created":{"date-parts":[[2025,10,17]],"date-time":"2025-10-17T16:13:03Z","timestamp":1760717583000},"page":"243","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Thermal Rectification in One-Dimensional Atomic Chains with Mass Asymmetry and Nonlinear Interactions"],"prefix":"10.3390","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8278-8705","authenticated-orcid":false,"given":"Arseny M.","family":"Kazakov","sequence":"first","affiliation":[{"name":"Research Laboratory for Metals and Alloys Under Extreme Impacts, Ufa University of Science and Technology, 450076 Ufa, Russia"}]},{"given":"Elvir Z.","family":"Karimov","sequence":"additional","affiliation":[{"name":"RSI Group, Artificial Intelligence Research Institute (AIRI), 123112 Moscow, Russia"},{"name":"Safe AI Laboratory, Moscow Technical University of Communications and Informatics, 111024 Moscow, Russia"},{"name":"Skolkovo Institute of Science and Technology, 121205 Moscow, Russia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6646-7357","authenticated-orcid":false,"given":"Galiia F.","family":"Korznikova","sequence":"additional","affiliation":[{"name":"Institute of Metal Superplasticity Problems of Russian Academy of Sciences (IMSP RAS), 450001 Ufa, Russia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5975-4849","authenticated-orcid":false,"given":"Elena A.","family":"Korznikova","sequence":"additional","affiliation":[{"name":"Research Laboratory for Metals and Alloys Under Extreme Impacts, Ufa University of Science and Technology, 450076 Ufa, Russia"},{"name":"Institute of Metal Superplasticity Problems of Russian Academy of Sciences (IMSP RAS), 450001 Ufa, Russia"},{"name":"Polytechnic Institute (Branch), North-Eastern Federal University, 678170 Mirny, Russia"},{"name":"Institute for Problems in Mechanical Engineering of Russian Academy of Sciences (IPME RAS), 199178 St. Petersburg, Russia"}]}],"member":"1968","published-online":{"date-parts":[[2025,10,17]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Romshin, A.M., Zeeb, V., Glushkov, E., Radenovic, A., Sinogeikin, A.G., and Vlasov, I.I. 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