{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T09:34:45Z","timestamp":1787045685861,"version":"build-2736575974"},"reference-count":44,"publisher":"MDPI AG","issue":"8","license":[{"start":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T00:00:00Z","timestamp":1787011200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["51966005"],"award-info":[{"award-number":["51966005"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"award":["51966005"],"award-info":[{"award-number":["51966005"]}],"id":[{"id":"https:\/\/ror.org\/01h0zpd94","id-type":"ROR","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100008871","name":"Yunnan Major Scientific and Technological Projects","doi-asserted-by":"publisher","award":["202502AB080016"],"award-info":[{"award-number":["202502AB080016"]}],"id":[{"id":"10.13039\/501100008871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100011477","name":"Qinghai Normal University","doi-asserted-by":"publisher","award":["2026QZR06"],"award-info":[{"award-number":["2026QZR06"]}],"id":[{"id":"10.13039\/501100011477","id-type":"DOI","asserted-by":"publisher"}]},{"award":["2026QZR06"],"award-info":[{"award-number":["2026QZR06"]}],"id":[{"id":"https:\/\/ror.org\/03az1t892","id-type":"ROR","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Micromachines"],"abstract":"<jats:p>Solid\u2013liquid interfacial heat transfer plays a key role in microelectronic devices, energy systems, and liquid cooling technologies. However, the vibrational mismatch at solid\u2013liquid interfaces produces an interfacial thermal resistance (ITR) that limits the heat-dissipation efficiency. Herein, molecular dynamics (MD) simulations were used to study the regulation of heat transfer at Ti\u2013water interfaces by the Ti-O interaction strength. As the interaction strength increased, the Ti surface changed from strongly hydrophobic to complete wetting, with the contact angle spanning 153\u00b0 to \u03b8 &lt; 5\u00b0 over the full droplet series. Over the range where the interfacial thermal conductance (ITC) was computed, the contact angle decreased from about 143\u00b0 to 15\u00b0, and the ITC increased from 35.71 \u00b1 4.26 to 231.97 \u00b1 14.17 MW\/m2\u00b7K. This increase originated from changes in the interfacial water structure, as the stronger interaction led to a denser and more ordered near-wall water structure that became more tightly bound to the surface, which enhanced the solid\u2013liquid vibrational coupling. From the phonon perspective, the spectral overlap increased by only about 2%, from 0.01973 to 0.02008 THz\u22121, while the ITC increased by a factor of 6.5, indicating that the spectral overlap is not the controlling factor. Instead, the phonon lifetime of the interfacial Ti shortened markedly while the phonon heat capacity remained stable, showing that the enhancement originates from the stronger interfacial coupling rather than from an increase in the spectral overlap. This work clarifies how wettability regulates the microscopic structure of interfacial water and interfacial vibrational coupling, and provides a basis for understanding heat transfer at metal\u2013water interfaces.<\/jats:p>","DOI":"10.3390\/mi17080972","type":"journal-article","created":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T09:06:41Z","timestamp":1787044001000},"page":"972","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Linking Surface Wettability to Interfacial Thermal Transport at Ti\u2013Water Interfaces: A Molecular Dynamics Study"],"prefix":"10.3390","volume":"17","author":[{"given":"Haoming","family":"Huang","sequence":"first","affiliation":[{"name":"State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, School of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China"},{"name":"School of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xi","family":"Wang","sequence":"additional","affiliation":[{"name":"Yunnan Electric Power Experimental Research Institute (Group) Co., Ltd., Kunming 650217, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ming","family":"Ma","sequence":"additional","affiliation":[{"name":"School of Nationality Educators, Qinghai Normal University, Xining 810016, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8802-0329","authenticated-orcid":false,"given":"Shan","family":"Qing","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, School of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China"},{"name":"School of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhumei","family":"Luo","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, School of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China"},{"name":"School of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaoyan","family":"Huang","sequence":"additional","affiliation":[{"name":"School of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jing","family":"Zhang","sequence":"additional","affiliation":[{"name":"School of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaohui","family":"Zhang","sequence":"additional","affiliation":[{"name":"School of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,8,18]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"025002","DOI":"10.1103\/RevModPhys.94.025002","article-title":"Interfacial Thermal Resistance: Past, Present, and Future","volume":"94","author":"Chen","year":"2022","journal-title":"Rev. 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