Ballistic-diffusive phonon heat transport across grain boundaries

Chen, Xiang; Li, Weixuan; Xiong, Liming; Li, Yang; Yang, Shengfeng; Zheng, Zexi; McDowell, David L.; Chen, Youping

doi:10.1016/j.actamat.2017.06.054

Ballistic-diffusive phonon heat transport across grain boundaries

Journal Article · Tue Jun 27 00:00:00 EDT 2017 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2017.06.054· OSTI ID:1533481

Chen, Xiang ^[1]; Li, Weixuan ^[2]; Xiong, Liming ^[3]; Li, Yang ^[2]; Yang, Shengfeng ^[2]; Zheng, Zexi ^[2]; McDowell, David L. ^[4]; Chen, Youping ^[2]

Univ. of Florida, Gainesville, FL (United States); DOE/OSTI
Univ. of Florida, Gainesville, FL (United States)
Iowa State Univ., Ames, IA (United States)
Georgia Institute of Technology, Atlanta, GA (United States)

The propagation of a heat pulse in a single crystal and across grain boundaries (GBs) is simulated here using a concurrent atomistic-continuum method furnished with a coherent phonon pulse model. With a heat pulse constructed based on a Bose-Einstein distribution of phonons, this work has reproduced the phenomenon of phonon focusing in single and polycrystalline materials. Simulation results provide visual evidence that the propagation of a heat pulse in crystalline solids with or without GBs is partially ballistic and partially diffusive, i.e., there is a co-existence of ballistic and diffusive thermal transport, with the long-wavelength phonons traveling ballistically while the short-wavelength phonons scatter with each other and travel diffusively. To gain a quantitative understanding of GB thermal resistance, the kinetic energy transmitted across GBs is monitored on the fly and the time-dependent energy transmission for each specimen is measured; the contributions of coherent and incoherent phonon transport to the energy transmission are estimated. Simulation results reveal that the presence of GBs modifies the nature of thermal transport, with the coherent long-wavelength phonons dominating the heat conduction in materials with GBs. In addition, it is found that phonon-GB interactions can result in reconstruction of GBs.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Florida, Gainesville, FL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: SC0006539

OSTI ID:: 1533481

Alternate ID(s):: OSTI ID: 1550396
OSTI ID: 22695954

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Journal Issue: C Vol. 136; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
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Ballistic-diffusive phonon heat transport across grain boundaries

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