Article Decoding Thermal Properties in Polymer-Inorganic Heat Dissipators: A Data-Driven Approach Using Pyrolysis Mass Spectrometry

Yusuke Hibi SAMURAI ORCID (Research Center for Macromolecules and Biomaterials/Macromolecules Field/Data-driven Polymer Design Group, National Institute for Materials ScienceROR) ; Yasuhiro Tsuyuki (Hitachi, Ltd) ; Satoshi Ishii (Hitachi, Ltd) ; Eiichi Ide (Hitachi, Ltd) ; Masanobu Naito SAMURAI ORCID (Research Center for Macromolecules and Biomaterials/Macromolecules Field/Data-driven Polymer Design Group, National Institute for Materials ScienceROR)

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Citation
Yusuke Hibi, Yasuhiro Tsuyuki, Satoshi Ishii, Eiichi Ide, Masanobu Naito. Decoding Thermal Properties in Polymer-Inorganic Heat Dissipators: A Data-Driven Approach Using Pyrolysis Mass Spectrometry. Science and Technology of Advanced Materials. 2024, 25 (1), . https://doi.org/10.1080/14686996.2024.2362125
SAMURAI

Description:

(abstract)

Polymeric materials can boost their performances by strategically incorporating inorganic substances. Heat dissipators are a representative class of such composite materials, where inorganic fillers and matrix polymers contribute to high thermal conductivity and strong adhesion, respectively, resulting in excellent heat dissipation performance. However, due to the complex interaction between fillers and polymers, even slight differences in structural parameters, e.g., dispersion/aggregation degree of fillers and crosslink density of polymers, may significantly impact material performance, complicating the quality management and guidelines for material developments. Therefore, we introduce pyrolysis mass spectra (MS) as material descriptors. On the basis of these spectra, we construct prediction models using a data-driven approach, specifically focusing on thermal conductivity and adhesion, which are key indicators for heat dissipating performance. Pyrolysis-MS observes thermally decomposable polymers, which occupy only 0.1 volume fraction of the heat dissipators; nevertheless, the physical states of non-decomposable inorganic fillers are implicitly reflected in the pyrolyzed fragment patterns of the matrix polymers. Consequently, pyrolysis-MS provides sufficient information to construct accurate models for predicting heat dissipation performance, simplifying quality management by substituting time-consuming performance evaluations with rapid pyrolysis-MS measurements. Furthermore, we elucidate that higher crosslinking density of the matrix polymers enhances thermal conductivity. This data-driven method promises to streamline the identification of key functional factors in complex composite materials.

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Keyword: Composite material, heat conductivity, pyrolysis mass spectrometry, non-negative matrix factorization

Date published: 2024-12-31

Publisher: Taylor & Francis

Journal:

  • Science and Technology of Advanced Materials (ISSN: 14686996) vol. 25 issue. 1

Funding:

  • JSPS JSPS KAKENHI Grant NumberJP24K08520
  • JST Core Research for EvolutionalScience and Technology program of Japan Science andTechnology Agency under Grant JPMJCR19J3

Manuscript type: Publisher's version (Version of record)

MDR DOI:

First published URL: https://doi.org/10.1080/14686996.2024.2362125

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Updated at: 2024-06-19 15:18:48 +0900

Published on MDR: 2024-06-14 16:30:16 +0900