{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T13:07:50Z","timestamp":1790082470366,"version":"4.0.1"},"reference-count":56,"publisher":"AIP Publishing","issue":"12","funder":[{"DOI":"10.13039\/501100002850","name":"Fondo Nacional de Desarrollo Cient\u00edfico y Tecnol\u00f3gico","doi-asserted-by":"publisher","award":["11240551"],"award-info":[{"award-number":["11240551"]}],"id":[{"id":"10.13039\/501100002850","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002850","name":"Fondo Nacional de Desarrollo Cient\u00edfico y Tecnol\u00f3gico","doi-asserted-by":"publisher","award":["11240682"],"award-info":[{"award-number":["11240682"]}],"id":[{"id":"10.13039\/501100002850","id-type":"DOI","asserted-by":"publisher"}]},{"name":"NLHPC","award":["CCSS210001"],"award-info":[{"award-number":["CCSS210001"]}],"id":[{"id":"https:\/\/ror.org\/05mjfsy88","id-type":"ROR","asserted-by":"crossref"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2026,9,28]]},"abstract":"<jats:p>Early classical molecular dynamics simulations utilizing non-polarizable force fields estimated the water\u2013graphene friction coefficient to be \u223c1.4\u00d7104Nsm\u22123. However, recent studies have demonstrated that electric polarization and quantum effects beyond the Born\u2013Oppenheimer approximation are crucial for accurately describing nanoscale friction. Observations from recent models suggest that incorporating electric polarization leads to higher predicted friction coefficients. This study evaluates the water\u2013graphene friction coefficient using the SWM4-NDP polarizable water model interacting with both polarizable and non-polarizable graphene models. The friction coefficient is initially computed via equilibrium molecular dynamics (EMD) utilizing the Green\u2013Kubo relation. Given the ongoing debate regarding the application of this methodology, the friction coefficient of the fully polarizable system is also evaluated using non-equilibrium molecular dynamics. Our EMD calculations show that incorporating explicit electric polarization in graphene increases the interfacial friction coefficient by 23%. Using enhanced-sampling simulations, we found that the free-energy landscape of a water monomer is more corrugated on polarizable graphene compared to the non-polarizable model. Quantitative analysis of these landscapes reveals that the friction increase caused by incorporating explicit polarization arises exclusively from a larger lateral force amplitude, which results directly from enhanced energetic surface corrugation.<\/jats:p>","DOI":"10.1063\/5.0349469","type":"journal-article","created":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T12:14:11Z","timestamp":1790079251000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":0,"title":["Polarizability in graphene increases nanoscale friction by amplifying interfacial energy corrugation"],"prefix":"10.1063","volume":"165","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-7728-609X","authenticated-orcid":false,"given":"Elton","family":"Oyarzua","sequence":"first","affiliation":[{"name":"Department of Chemical Engineering, Universidad de Concepci\u00f3n 1 , Concepci\u00f3n 4070386,","place":["Chile"]},{"name":"The Njord Centre, Department of Physics, University of Oslo 2 , NO-0316 Oslo,","place":["Norway"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0948-506X","authenticated-orcid":false,"given":"Andr\u00e9s","family":"Rojano","sequence":"additional","affiliation":[{"name":"Independent Researcher 3 , Concepci\u00f3n, Biobio,","place":["Chile"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7429-9151","authenticated-orcid":false,"given":"Diego","family":"Becerra","sequence":"additional","affiliation":[{"name":"Department of Chemical Engineering, Universidad de Concepci\u00f3n 1 , Concepci\u00f3n 4070386,","place":["Chile"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2941-0954","authenticated-orcid":false,"given":"Enrique","family":"Wagemann","sequence":"additional","affiliation":[{"name":"Department of Mechanical Engineering, Universidad de Concepci\u00f3n 4 , Concepci\u00f3n, Biobio,","place":["Chile"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2026,9,22]]},"reference":[{"key":"2026092208140168100_c1","doi-asserted-by":"publisher","first-page":"2978","DOI":"10.1021\/acs.jpclett.9b00952","volume":"10","year":"2019","journal-title":"J.\u00a0Phys. 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