What question did this study set out to answer?

Investigate how titanium–oxygen interaction strength and surface wettability regulate interfacial thermal transport and vibrational coupling at titanium–water interfaces.

August 20, 2026MicromachinesOpen Access

Linking Surface Wettability to Interfacial Thermal Transport at Ti–Water Interfaces: A Molecular Dynamics Study

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Authors

HHHaoming HuangKunming University of Science and Technology XWXi WangElectric Power Research Institute MMMing MaQinghai Normal University

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Implication

Simulation study demonstrates enhanced interfacial thermal conductance with increased titanium wettability, indicating stronger vibrational coupling drives heat transfer.

Key Points

Investigate how titanium–oxygen interaction strength and surface wettability regulate interfacial thermal transport and vibrational coupling at titanium–water interfaces.
Conducted molecular dynamics (MD) simulations to examine the effect of tuning Ti–O interaction strength across contact angles ranging from 153° to <5°.
Calculated interfacial thermal conductance (ITC), interfacial water structure density, vibrational spectral overlap, and phonon lifetimes.
As contact angle decreased from ~143° to 15°, interfacial thermal conductance increased from 35.71 ± 4.26 to 231.97 ± 14.17 MW/m²·K (a 6.5-fold enhancement).
Spectral overlap increased by only ~2% (from 0.01973 to 0.02008 THz⁻¹), indicating that reduced interfacial Ti phonon lifetime and stronger vibrational coupling—rather than spectral overlap—govern the heat transfer increase.

Cite This Study

Huang et al. (2026) studied this question.

synapsesocial.com/papers/6a86b57f8a91293e6a1ccdd5 https://doi.org/10.3390/mi17080972

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Implication

Simulation study demonstrates enhanced interfacial thermal conductance with increased titanium wettability, indicating stronger vibrational coupling drives heat transfer.

Linking Surface Wettability to Interfacial Thermal Transport at Ti–Water Interfaces: A Molecular Dynamics Study

Discussion

Member takes

Implication

Key Points

Cite This Study

Linking Surface Wettability to Interfacial Thermal Transport at Ti–Water Interfaces: A Molecular Dynamics Study

Discussion

Member takes

Implication

Key Points

Cite This Study

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