skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Abstract

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.

Authors:
 [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
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1370984
Grant/Contract Number:  
SC0001299; FG02-09ER46577
Resource Type:
Accepted Manuscript
Journal Name:
Nanoscale and Microscale Thermophysical Engineering
Additional Journal Information:
Journal Volume: 19; Journal Issue: 4; Related Information: S3TEC partners with Massachusetts Institute of Technology (lead); Boston College; Oak Ridge National Laboratory; Rensselaer Polytechnic Institute; Journal ID: ISSN 1556-7265
Publisher:
Taylor & Francis
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; solar (photovoltaic); solar (thermal); solid state lighting; phonons; thermal conductivity; thermoelectric; defects; mechanical behavior; charge transport; spin dynamics; materials and chemistry by design; optics; synthesis (novel materials); synthesis (self-assembly); synthesis (scalable processing); superlattice; molecular dynamics; atomic green's function

Citation Formats

Qiu, Bo, Chen, Gang, and Tian, Zhiting. Effects of Aperiodicity and Roughness on Coherent Heat Conduction in Superlattices. United States: N. p., 2015. Web. doi:10.1080/15567265.2015.1102186.
Qiu, Bo, Chen, Gang, & Tian, Zhiting. Effects of Aperiodicity and Roughness on Coherent Heat Conduction in Superlattices. United States. doi:10.1080/15567265.2015.1102186.
Qiu, Bo, Chen, Gang, and Tian, Zhiting. Tue . "Effects of Aperiodicity and Roughness on Coherent Heat Conduction in Superlattices". United States. doi:10.1080/15567265.2015.1102186. https://www.osti.gov/servlets/purl/1370984.
@article{osti_1370984,
title = {Effects of Aperiodicity and Roughness on Coherent Heat Conduction in Superlattices},
author = {Qiu, Bo and Chen, Gang and Tian, Zhiting},
abstractNote = {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.},
doi = {10.1080/15567265.2015.1102186},
journal = {Nanoscale and Microscale Thermophysical Engineering},
number = 4,
volume = 19,
place = {United States},
year = {2015},
month = {12}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 15 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Is a Layered Medium One Dimensional?
journal, February 1995


Thermal conductivity of symmetrically strained Si/Ge superlattices
journal, September 2000

  • Borca-Tasciuc, Theodorian; Liu, Weili; Liu, Jianlin
  • Superlattices and Microstructures, Vol. 28, Issue 3
  • DOI: 10.1006/spmi.2000.0900

Localization transition in media with anisotropic diagonal disorder
journal, December 1989


Coherent Phonon Heat Conduction in Superlattices
journal, November 2012


Minimum thermal conductivity in superlattices: A first-principles formalism
journal, April 2013


Molecular dynamics calculation of the thermal conductivity of superlattices
journal, June 2002


Thermal conductivity of Si–Ge superlattices
journal, June 1997

  • Lee, S. -M.; Cahill, David G.; Venkatasubramanian, Rama
  • Applied Physics Letters, Vol. 70, Issue 22
  • DOI: 10.1063/1.118755

Nanoscale thermal transport. II. 2003–2012
journal, March 2014

  • Cahill, David G.; Braun, Paul V.; Chen, Gang
  • Applied Physics Reviews, Vol. 1, Issue 1
  • DOI: 10.1063/1.4832615

Disruption of superlattice phonons by interfacial mixing
journal, October 2013

  • Huberman, Samuel C.; Larkin, Jason M.; McGaughey, Alan J. H.
  • Physical Review B, Vol. 88, Issue 15
  • DOI: 10.1103/PhysRevB.88.155311

Complex thermoelectric materials
journal, February 2008

  • Snyder, G. Jeffrey; Toberer, Eric S.
  • Nature Materials, Vol. 7, Issue 2, p. 105-114
  • DOI: 10.1038/nmat2090

Heat Transfer in Thermoelectric Materials and Devices
journal, May 2013

  • Tian, Zhiting; Lee, Sangyeop; Chen, Gang
  • Journal of Heat Transfer, Vol. 135, Issue 6
  • DOI: 10.1115/1.4023585

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995


Minimum Thermal Conductivity of Superlattices
journal, January 2000


Effect of interfacial species mixing on phonon transport in semiconductor superlattices
journal, February 2009


Electronic band gaps and transport in aperiodic graphene superlattices of Thue-Morse sequence
journal, June 2012

  • Ma, Tianxing; Liang, Chun; Wang, Li-Gang
  • Applied Physics Letters, Vol. 100, Issue 25
  • DOI: 10.1063/1.4729133

Acoustic-phonon transmission in quasiperiodic superlattices
journal, August 1987


Thermal interface conductance in Si/Ge superlattices by equilibrium molecular dynamics
journal, May 2012


Cause and effect reversed in non-equilibrium molecular dynamics: an easy route to transport coefficients
journal, December 1999


Heat Conductivity of Amorphous Solids: Simulation Results on Model Structures
journal, August 1991


Decomposition of coherent and incoherent phonon conduction in superlattices and random multilayers
journal, October 2014


Role of Surface-Segregation-Driven Intermixing on the Thermal Transport through Planar Si / Ge Superlattices
journal, September 2013


Green's function studies of phonon transport across Si/Ge superlattices
journal, June 2014


Thermal transport across Twin Grain Boundaries in Polycrystalline Graphene from Nonequilibrium Molecular Dynamics Simulations
journal, September 2011

  • Bagri, Akbar; Kim, Sang-Pil; Ruoff, Rodney S.
  • Nano Letters, Vol. 11, Issue 9
  • DOI: 10.1021/nl202118d

Acoustic and electronic properties of one-dimensional quasicrystals
journal, August 1986


Crossover from incoherent to coherent phonon scattering in epitaxial oxide superlattices
journal, December 2013

  • Ravichandran, Jayakanth; Yadav, Ajay K.; Cheaito, Ramez
  • Nature Materials, Vol. 13, Issue 2
  • DOI: 10.1038/nmat3826

Origins of thermal conductivity changes in strained crystals
journal, December 2014


Enhancing phonon transmission across a Si/Ge interface by atomic roughness: First-principles study with the Green's function method
journal, December 2012


Structural and electronic properties of nonperiodic superlattices
journal, January 1988

  • Merlin, R.
  • IEEE Journal of Quantum Electronics, Vol. 24, Issue 8
  • DOI: 10.1109/3.7108

Optimization of the random multilayer structure to break the random-alloy limit of thermal conductivity
journal, February 2015

  • Wang, Yan; Gu, Chongjie; Ruan, Xiulin
  • Applied Physics Letters, Vol. 106, Issue 7
  • DOI: 10.1063/1.4913319

Acoustic interference in random superlattices
journal, April 1990


Phonon transport in strong-scattering media
journal, January 1994


Nanoscale thermal transport
journal, January 2003

  • Cahill, David G.; Ford, Wayne K.; Goodson, Kenneth E.
  • Journal of Applied Physics, Vol. 93, Issue 2, p. 793-818
  • DOI: 10.1063/1.1524305

Microscale Heat Conduction in Dielectric Thin Films
journal, February 1993