Next-generation power electronics require efficient heat dissipation management,and molecular design guidelines are needed to develop polymers with high thermal conductivity.Polymer materials have considerably lower t...Next-generation power electronics require efficient heat dissipation management,and molecular design guidelines are needed to develop polymers with high thermal conductivity.Polymer materials have considerably lower thermal conductivity than metals and ceramics due to phonon scattering in the amorphous region.The spontaneous orientation of the molecular chains of liquid crystalline polymers could potentially give rise to high thermal conductivity,but the molecular design of such polymers remains largely empirical.In this study,wedeveloped amachine learningmodel that predicts with more than 96%accuracy whether liquid crystalline states will form based on the chemical structure of the polymer.By exploring the inverse mapping of this model,we identified a comprehensive set of chemical structures for liquid crystalline polyimides.The polymers were then experimentally synthesized,and the results confirmed that they form liquid crystalline phases,with all polymers exhibiting calculated thermal conductivities within the range of 0.722–1.26Wm^(−1)K^(−1).展开更多
基金The synchrotron radiation experiments were performed at the BL40B2 beamline of SPring-8 with the approval of the Japan Synchrotron Radiation Research Institute (JASRI) (Proposal No. 2022B1131), with support from Dr. Noboru Ohta (JASRI) and Prof. Tomoyasu Hirai (Osaka Institute of Technology)This work was supported by the Japan Science and Technology Agency (JST) under the CREST program (Grant Number JPMJCR19I3) (J.M., T.H., R.Y., M.T., R.M.)+2 种基金Additionally, we acknowledge the Japan Society for the Promotion of Science (JSPS) for their support through the KAKENHI program (Grant Number 21K04828) (Y.N.)the Ministry of Education, Culture, Sports, Science and Technology for “Program for Promoting Researches on the Supercomputer Fugaku” (project ID: hp210264) (R.Y.)HM and RM were supported by JST SPRING (Grant No. JPMJSP2106).
文摘Next-generation power electronics require efficient heat dissipation management,and molecular design guidelines are needed to develop polymers with high thermal conductivity.Polymer materials have considerably lower thermal conductivity than metals and ceramics due to phonon scattering in the amorphous region.The spontaneous orientation of the molecular chains of liquid crystalline polymers could potentially give rise to high thermal conductivity,but the molecular design of such polymers remains largely empirical.In this study,wedeveloped amachine learningmodel that predicts with more than 96%accuracy whether liquid crystalline states will form based on the chemical structure of the polymer.By exploring the inverse mapping of this model,we identified a comprehensive set of chemical structures for liquid crystalline polyimides.The polymers were then experimentally synthesized,and the results confirmed that they form liquid crystalline phases,with all polymers exhibiting calculated thermal conductivities within the range of 0.722–1.26Wm^(−1)K^(−1).
