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Data-Driven Design of Transparent Thermal Insulating Nanoscale Layered Oxides
1Research and Service Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science (NIMS) 1-1 Namiki, Tsukuba 305-0044, Ibaraki, Japan.
Micromachines
|January 21, 2023
Summary
Machine learning models predicted TiO2/SiO2 thin films with high transparency and ultralow thermal conductivity. Experimental results confirmed high interfacial thermal resistance (ITR), demonstrating potential for advanced thermal insulation.
Area of Science:
- Materials Science
- Nanotechnology
- Thermal Engineering
Background:
- Predicting interfacial thermal resistance (ITR) for material systems is complex.
- Machine learning (ML) offers a pathway to accelerate materials discovery.
- Transparent thermal insulators are crucial for electronics and energy applications.
Purpose of the Study:
- To apply ML models for identifying materials with high transparency and low thermal conductivity.
- To investigate the interfacial thermal resistance (ITR) of TiO2/SiO2 thin films.
- To evaluate the thermal and optical properties of nanoscale layered TiO2/SiO2.
Main Methods:
- Utilized previously developed ML models for ITR prediction.
- Synthesized nanoscale layered TiO2/SiO2 thin films using sputtering.
- Measured thermal conductivity, transparency, and ITR of the synthesized films.
- Investigated substrate dependence of thermal conductivity.
Main Results:
- Selected TiO2/SiO2 system showed high predicted and experimental ITR (26.56 m2K/GW).
- Synthesized films exhibited ultralow thermal conductivity (0.21 W/mK) and high transparency (>90%).
- Thermal conductivity reduction attributed to high interface density and ITR, not intrinsic material changes.
- Substrate (quartz vs. Si) significantly impacted thermal conductivity (3x lower on quartz).
Conclusions:
- The ML-guided approach successfully identified promising transparent thermal insulating materials.
- Nanoscale layered TiO2/SiO2 thin films offer superior performance compared to current alternatives.
- This strategy accelerates the development of advanced transparent thermal insulators for various applications.

