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DOE OSTI · 2538598

Defects vibrations engineering for enhancing interfacial thermal transport in polymer composites

Zhou, Yijie [Univ. of Massachusetts, Amherst, MA (United States)] (ORCID:0009000750801593)·Ciarla, Robert [Univ. of Massachusetts, Amherst, MA (United States)] (ORCID:0009000491287998)·Boonkird, Artittaya [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)]·Raza, Saqlain [North Carolina State University, Raleigh, NC (United States)]·Nguyen, Thanh [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)] (ORCID:0000000336772160)·Zhou, Jiawei [Stanford Univ., CA (United States)]·Osti, Naresh C. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000202132299)·Mamontov, Eugene [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000256842675)·Jiang, Zhang [Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)] (ORCID:0000000335038909)·Zuo, Xiaobing [Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)] (ORCID:0000000201344804)·Ranasinghe, Jeewan [Rice Univ., Houston, TX (United States)] (ORCID:0000000277445644)·Hu, Weiguo [Univ. of Massachusetts, Amherst, MA (United States)] (ORCID:0000000278681657)·Scott, Brendan [Univ. of Massachusetts, Amherst, MA (United States)] (ORCID:0009000128057864)·Chen, Jihua [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000168795936)·Hensley, Dale K. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000187637765)·Huang, Shengxi [Rice Univ., Houston, TX (United States)] (ORCID:0000000236189074)·Liu, Jun [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000273355860)·Li, Mingda [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)] (ORCID:0000000270556368)·Xu, Yanfei [Univ. of Massachusetts, Amherst, MA (United States)] (ORCID:0000000348092832)
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Abstract

To push upper boundaries of thermal conductivity in polymer composites, understanding of thermal transport mechanisms is crucial. Despite extensive simulations, systematic experimental investigation on thermal transport in polymer composites is limited. To better understand thermal transport processes, we design polymer composites with perfect fillers (graphite) and defective fillers (graphite oxide), using polyvinyl alcohol (PVA) as a matrix model. Measured thermal conductivities of ~1.38 ± 0.22 W m -1 K -1 in PVA/defective filler composites is higher than those of ~0.86 ± 0.21 W m -1 K -1 in PVA/perfect filler composites, while measured thermal conductivities in defective fillers are lower than those of perfect fillers. We identify how thermal transport occurs across heterogeneous interfaces. Thermal transport measurements, neutron scattering, quantum mechanical modeling, and molecular dynamics simulations reveal that vibrational coupling between PVA and defective fillers at PVA/filler interfaces enhances thermal conductivity, suggesting that defects in polymer composites improve thermal transport by promoting this vibrational coupling.

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Zhou, Yijie [Univ. of Massachusetts, Amherst, MA (United States)] (ORCID:0009000750801593), Ciarla, Robert [Univ. of Massachusetts, Amherst, MA (United States)] (ORCID:0009000491287998), Boonkird, Artittaya [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)], Raza, Saqlain [North Carolina State University, Raleigh, NC (United States)], Nguyen, Thanh [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)] (ORCID:0000000336772160), Zhou, Jiawei [Stanford Univ., CA (United States)], Osti, Naresh C. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000202132299), Mamontov, Eugene [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000256842675), Jiang, Zhang [Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)] (ORCID:0000000335038909), Zuo, Xiaobing [Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)] (ORCID:0000000201344804), Ranasinghe, Jeewan [Rice Univ., Houston, TX (United States)] (ORCID:0000000277445644), Hu, Weiguo [Univ. of Massachusetts, Amherst, MA (United States)] (ORCID:0000000278681657), Scott, Brendan [Univ. of Massachusetts, Amherst, MA (United States)] (ORCID:0009000128057864), Chen, Jihua [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000168795936), Hensley, Dale K. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000187637765), Huang, Shengxi [Rice Univ., Houston, TX (United States)] (ORCID:0000000236189074), Liu, Jun [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000273355860), Li, Mingda [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)] (ORCID:0000000270556368), Xu, Yanfei [Univ. of Massachusetts, Amherst, MA (United States)] (ORCID:0000000348092832). 2025-01-22. Defects vibrations engineering for enhancing interfacial thermal transport in polymer composites. https://doi.org/10.1126/sciadv.adp6516

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