TY - JOUR
T1 - Generalized Debye-Peierls/Allen-Feldman model for the lattice thermal conductivity of low-dimensional and disordered materials
AU - Zhu, Taishan
AU - Ertekin, Elif
N1 - Funding Information:
This work is supported by the National Science Foundation through Grant No. CBET-1250192. We also acknowledge the support from various computational resources: this research is part of the Blue Waters sustained-petascale computing project, which is supported by the National Science Foundation (awards OCI-0725070 and ACI-1238993) and the state of Illinois. Blue Waters is a joint effort of the University of Illinois at Urbana-Champaign and its National Center for Supercomputing Applications. Additional resources were provided by (i) the Extreme Science and Engineering Discovery Environment (XSEDE) allocation DMR-140007, which is supported by National Science Foundation Grant No. ACI-1053575 and (ii) the Illinois Campus Computing Cluster.
Publisher Copyright:
© 2016 American Physical Society.
PY - 2016/4/11
Y1 - 2016/4/11
N2 - We present a generalized model to describe the lattice thermal conductivity of low-dimensional (low-D) and disordered systems. The model is a straightforward generalization of the Debye-Peierls and Allen-Feldman schemes to arbitrary dimensions, accounting for low-D effects such as differences in dispersion, density of states, and scattering. Similar in spirit to the Allen-Feldman approach, heat carriers are categorized according to their transporting capacity as propagons, diffusons, and locons. The results of the generalized model are compared to experimental results when available, and equilibrium molecular dynamics simulations otherwise. The results are in very good agreement with our analysis of phonon localization in disordered low-D systems, such as amorphous graphene and glassy diamond nanothreads. Several unique aspects of thermal transport in low-D and disordered systems, such as milder suppression of thermal conductivity and negligible diffuson contributions, are captured by the approach.
AB - We present a generalized model to describe the lattice thermal conductivity of low-dimensional (low-D) and disordered systems. The model is a straightforward generalization of the Debye-Peierls and Allen-Feldman schemes to arbitrary dimensions, accounting for low-D effects such as differences in dispersion, density of states, and scattering. Similar in spirit to the Allen-Feldman approach, heat carriers are categorized according to their transporting capacity as propagons, diffusons, and locons. The results of the generalized model are compared to experimental results when available, and equilibrium molecular dynamics simulations otherwise. The results are in very good agreement with our analysis of phonon localization in disordered low-D systems, such as amorphous graphene and glassy diamond nanothreads. Several unique aspects of thermal transport in low-D and disordered systems, such as milder suppression of thermal conductivity and negligible diffuson contributions, are captured by the approach.
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U2 - 10.1103/PhysRevB.93.155414
DO - 10.1103/PhysRevB.93.155414
M3 - Article
AN - SCOPUS:84963742001
VL - 93
JO - Physical Review B
JF - Physical Review B
SN - 2469-9950
IS - 15
M1 - 155414
ER -