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Ultra-efficient and parameter-free computation of submicron thermal transport with phonon Boltzmann transport equation

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Fundamental Research 2024年第4期4卷 907-915页

作者： Yue Hu Yongxing Shen Hua Bao University of Michigan-Shanghai Jiao Tong University Joint Institute Shanghai Jiao Tong UniversityShanghai 200240China

Understanding thermal transport at the submicron scale is crucial for engineering applications,especially in the thermal management of electronics and tailoring the thermal conductivity of thermoelectric *** the submicron scale,the macroscopic heat diffusion equation is no longer valid and the phonon Boltzmann transport equation(BTE)becomes the governing equation for thermal ***,previous thermal simulations based on the phonon BTE have two main limitations:relying on empirical parameters and prohibitive computational ***,the phonon BTE is commonly used for qualitatively studying the non-Fourier thermal transport phenomena of toy *** this work,we demonstrate an ultra-efficient and parameter-free computational method of the phonon BTE to achieve quantitatively accurate thermal simulation for realistic materials and *** properly integrating the phonon properties from first-principles calculations,our method does not rely on empirical material properties *** can be generally applicable for different materials and the predicted results can match well with experimental ***,by developing a suitable ensemble of advanced numerical algorithms,our method exhibits superior numerical *** full-scale(from ballistic to diffusive)thermal simulation of a 3-dimensional fin field-effect transistor with 13 million degrees of freedom,which is prohibitive for existing phonon BTE solvers even on supercomputers,can now be completed within two hours on a single personal *** method makes it possible to achieve the predictive design of realistic nanostructures for the desired thermal *** also enables accurately resolving the temperature profiles at the transistor level,which helps in better understanding the self-heating effect of electronics.

关键词： Submicron thermal transport Boltzmann transport equation deterministic numerical method Phonon transport Transistors Nanostructured materials

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