Modeling Nanoscale Thermal Transport via the Boltzmann Transport Equation

Author(s):  
Cristina H. Amon ◽  
Jayathi Y. Murthy ◽  
Sreekant V. J. Narumanchi

In modern microelectronics, where extreme miniaturization has led to feature sizes in the sub-micron and nanoscale range, Fourier diffusion has been found to be inadequate for the prediction of heat conduction. Over the past decade, the phonon Boltzmann transport equation (BTE) in the relaxation time approximation has been employed to make thermal predictions in dielectrics and semiconductors at micron and nanoscales. This paper presents a review of the BTE-based solution methods widely employed in the literature. Particular attention is given to the problem of self-heating (hotspot) in sub-micron transistors. First, the solution approaches based on the gray formulation of the BTE are presented. In this class of solution methods, phonons are characterized by one single group velocity and relaxation time. Phonon dispersion is not accounted for in any detail. This is the most widely employed approach in the literature. The semi-gray BTE approach, moments of the Boltzmann equation, the lattice Boltzmann approach, and the ballistic-diffusive approximation are presented. Models which incorporate greater details of phonon dispersion are also discussed. This includes a full phonon dispersion model developed recently by the authors. This full phonon dispersion model satisfies energy conservation, incorporates the different phonon modes, and well as the interactions between the different modes, and accounts for the frequency dependence for both the phonon group velocity and relaxation times. Results which illustrate the differences between some of these models reveal the importance of developing models that incorporate substantial details of phonon physics.

2012 ◽  
Vol 134 (8) ◽  
Author(s):  
Chunjian Ni ◽  
Jayathi Y. Murthy

A sub-micron thermal transport model based on the phonon Boltzmann transport equation (BTE) is developed using anisotropic relaxation times. A previously-published model, the full-scattering model, developed by Wang, directly computes three-phonon scattering interactions by enforcing energy and momentum conservation. However, it is computationally very expensive because it requires the evaluation of millions of scattering interactions during the iterative numerical solution procedure. The anisotropic relaxation time model employs a single-mode relaxation time, but the relaxation time is derived from detailed consideration of three-phonon interactions satisfying conservation rules, and is a function of wave vector. The resulting model is significantly less expensive than the full-scattering model, but incorporates directional and dispersion behavior. A critical issue in the model development is the role of three-phonon normal (N) scattering processes. Following Callaway, the overall relaxation rate is modified to include the shift in the phonon distribution function due to N processes. The relaxation times so obtained are compared with the data extracted from equilibrium molecular dynamics simulations by Henry and Chen. The anisotropic relaxation time phonon BTE model is validated by comparing the predicted thermal conductivities of bulk silicon and silicon thin films with experimental measurements. The model is then used for simulating thermal transport in a silicon metal-oxide-semiconductor field effect transistor (MOSFET) and leads to results close to the full-scattering model, but uses much less computation time.


Author(s):  
Chunjian Ni ◽  
Jayathi Y. Murthy

A sub-micron thermal transport model based on the phonon Boltzmann transport equation (BTE) is developed using anisotropic relaxation times. A previously-published model, the full-scattering model, developed by Wang, directly computes three-phonon scattering interactions by enforcing energy and momentum conservation. However, it is computationally very expensive because it requires the evaluation of millions of scattering interactions during the iterative numerical solution procedure. The anisotropic relaxation time phonon BTE model employs a single-mode relaxation time idea, but the relaxation time is a function of wave-vector. The resulting model is significantly less expensive than the full-scattering model, but incorporates directional and dispersion behavior as well as relaxation times satisfying conservation rules. A critical issue in the model development is the accounting for the role of three-phonon N scattering processes. Direct inclusion of N processes into the anisotropic relaxation time model is not possible because such an inclusion would engender thermal resistance. Following Callaway, the overall relaxation rate is modified to include the shift in the phonon distribution function due to N processes. The relaxation times so obtained are compared with the data extracted from equilibrium molecular dynamics simulation by Henry and Chen. The anisotropic relaxation time phonon BTE model is validated by comparing the predicted bulk thermal conductivities of silicon and silicon thin-film thermal conductivities with experimental measurements.


2017 ◽  
Vol 139 (10) ◽  
Author(s):  
Ajit K. Vallabhaneni ◽  
Liang Chen ◽  
Man P. Gupta ◽  
Satish Kumar

Several studies have validated that diffusive Fourier model is inadequate to model thermal transport at submicron length scales. Hence, Boltzmann transport equation (BTE) is being utilized to improve thermal predictions in electronic devices, where ballistic effects dominate. In this work, we investigated the steady-state thermal transport in a gallium nitride (GaN) film using the BTE. The phonon properties of GaN for BTE simulations are calculated from first principles—density functional theory (DFT). Despite parallelization, solving the BTE is quite expensive and requires significant computational resources. Here, we propose two methods to accelerate the process of solving the BTE without significant loss of accuracy in temperature prediction. The first one is to use the Fourier model away from the hot-spot in the device where ballistic effects can be neglected and then couple it with a BTE model for the region close to hot-spot. The second method is to accelerate the BTE model itself by using an adaptive model which is faster to solve as BTE for phonon modes with low Knudsen number is replaced with a Fourier like equation. Both these methods involve choosing a cutoff parameter based on the phonon mean free path (mfp). For a GaN-based device considered in the present work, the first method decreases the computational time by about 70%, whereas the adaptive method reduces it by 60% compared to the case where full BTE is solved across the entire domain. Using both the methods together reduces the overall computational time by more than 85%. The methods proposed here are general and can be used for any material. These approaches are quite valuable for multiscale thermal modeling in solving device level problems at a faster pace without a significant loss of accuracy.


Author(s):  
Nicolas G. Hadjiconstantinou ◽  
Gregg A. Radtke ◽  
Lowell L. Baker

We present and discuss a variance-reduced stochastic particle simulation method for solving the relaxation-time model of the Boltzmann transport equation. The variance reduction, achieved by simulating only the deviation from equilibrium, results in a significant computational efficiency advantage compared to traditional stochastic particle methods in the limit of small deviation from equilibrium. More specifically, the proposed method can efficiently simulate arbitrarily small deviations from equilibrium at a computational cost that is independent of the deviation from equilibrium, which is in sharp contrast to traditional particle methods. The proposed method is developed and validated in the context of dilute gases; despite this, it is expected to directly extend to all fields (carriers) for which the relaxation-time approximation is applicable.


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