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Title: Effects of Aperiodicity and Roughness on Coherent Heat Conduction in Superlattices

Journal Article · · Nanoscale and Microscale Thermophysical Engineering
 [1];  [1];  [2]
  1. Massachusetts Inst. of Technology, Cambridge, MA (United States). Dept. of Mechanical Engineering
  2. Virginia Tech, Blacksburg, VA (United States). Dept. of Mechanical Engineering

Coherent phonon heat conduction has recently been confirmed experimentally in superlattice structures. Such traveling coherent phonon waves in superlattices lead to a linear increase in thermal conductivity as the number of periods increases. For applications such as thermal insulation or thermoelectrics, minimization of the phonon coherent effect is desirable. In this paper, we use molecular dynamics simulations to study how to control coherent heat conduction in superlattices (SLs). It is found that either aperiodic SLs or SLs with rough interfaces can significantly disrupt coherent heat conduction when the interface densities are high. For sample thickness less than 125 nm, aperiodic SLs with perfect interfaces are found to have the lowest thermal conductivity. We use the atomic Green’s function method to examine the phonon dynamics. The impact of either aperiodicity or interface roughness is attributed to reduced transmittance. Such impact diminishes as the interface density reduces.

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0001299; FG02-09ER46577
OSTI ID:
1370984
Journal Information:
Nanoscale and Microscale Thermophysical Engineering, Vol. 19, Issue 4; Related Information: S3TEC partners with Massachusetts Institute of Technology (lead); Boston College; Oak Ridge National Laboratory; Rensselaer Polytechnic Institute; ISSN 1556-7265
Publisher:
Taylor & FrancisCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 46 works
Citation information provided by
Web of Science

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First-principles Modeling of Thermal Transport in Materials: Achievements, Opportunities, and Challenges journal December 2019
Thermal conductivity in self-assembled CoFe 2 O 4 /BiFeO 3 vertical nanocomposite films journal November 2018
Reduced thermal conductivity of nanotwinned random layer structures: a promising nanostructuring towards efficient Si and Si/Ge thermoelectric materials journal April 2018
Designing Nanostructures for Phonon Transport via Bayesian Optimization journal May 2017
Heat conduction tuning by wave nature of phonons journal August 2017
Subamorphous Thermal Conductivity of Crystalline Half-Heusler Superlattices text January 2018
Subamorphous Thermal Conductivity of Crystalline Half-Heusler Superlattices text January 2018