TY - JOUR
T1 - Effective medium formulation for phonon transport analysis of nanograined polycrystals
AU - Hao, Qing
N1 - Funding Information:
Qing Hao thanks Professor Austin Minnich and Professor Gang Chen for their advice. He also thanks members in the groups of Professor Jeffrey C. Grossman and Professor Gerbrand Ceder for suggestions and encouragement. The work is supported by the start-up fund at the University of Arizona. An allocation of computer time from the UA Research Computing High Performance Computing (HTC) and High Throughput Computing (HTC) at the University of Arizona is gratefully acknowledged.
PY - 2012/1/1
Y1 - 2012/1/1
N2 - For many research fields, it has been a challenge to accurately predict the lattice thermal conductivity of nanograined polycrystals, where the structure size becomes comparable or smaller than phonon mean free paths (MFPs). Although this can be achieved by advanced techniques such as phonon Monte Carlo simulations, they are generally complicated and can be very time-consuming especially when frequency-dependent phonon MFPs are considered. In this work, we apply the effective medium approach to phonon transport studies of polycrystals, which yields identical results as phonon Monte Carlo simulations in both frequency-dependent and frequency-independent analysis. The formulation can also be modified to consider additional factors, including grain boundaries with an additional interface layer, in-grain substructures, and grain size variation. This work provides a simple but accurate model for thermal studies of general polycrystals.
AB - For many research fields, it has been a challenge to accurately predict the lattice thermal conductivity of nanograined polycrystals, where the structure size becomes comparable or smaller than phonon mean free paths (MFPs). Although this can be achieved by advanced techniques such as phonon Monte Carlo simulations, they are generally complicated and can be very time-consuming especially when frequency-dependent phonon MFPs are considered. In this work, we apply the effective medium approach to phonon transport studies of polycrystals, which yields identical results as phonon Monte Carlo simulations in both frequency-dependent and frequency-independent analysis. The formulation can also be modified to consider additional factors, including grain boundaries with an additional interface layer, in-grain substructures, and grain size variation. This work provides a simple but accurate model for thermal studies of general polycrystals.
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U2 - 10.1063/1.3675273
DO - 10.1063/1.3675273
M3 - Article
AN - SCOPUS:84855913727
SN - 0021-8979
VL - 111
JO - Journal of Applied Physics
JF - Journal of Applied Physics
IS - 1
M1 - 014307
ER -