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Title: Lattice thermal conductivity of multi-component alloys

Abstract

High entropy alloys (HEA) have unique properties including the potential to be radiation tolerant. These materials with extreme disorder could resist damage because disorder, stabilized by entropy, is the equilibrium thermodynamic state. Disorder also reduces electron and phonon conductivity keeping the damage energy longer at the deposition locations, eventually favoring defect recombination. In the short time-scales related to thermal spikes induced by collision cascades, phonons become the relevant energy carrier. In this paper, we perform a systematic study of phonon thermal conductivity in multiple component solid solutions represented by Lennard-Jones (LJ) potentials. We explore the conditions that minimize phonon mean free path via extreme alloy complexity, by varying the composition and the elements (differing in mass, atomic radii, and cohesive energy). We show that alloy complexity can be tailored to modify the scattering mechanisms that control energy transport in the phonon subsystem. Finally, our analysis provides a qualitative guidance for the selection criteria used in the design of HEA alloys with low phonon thermal conductivity.

Authors:
ORCiD logo [1];  [2];  [2];  [2];  [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1265568
Alternate Identifier(s):
OSTI ID: 1252544
Grant/Contract Number:  
AC05-00OR22725; ERKCM99
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Alloys and Compounds
Additional Journal Information:
Journal Volume: 648; Related Information: EDDE partners with Oak Ridge National Laboratory (lead); Lawrence Livermore National Laboratory; University of Michigan; University of Tennessee; University of Wisconsin; University of Wyoming; Virginia Tech; Journal ID: ISSN 0925-8388
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 74 ATOMIC AND MOLECULAR PHYSICS; High entropy alloys; Thermal transport; Thermal properties; Radiation resistance; Molecular dynamics simulations

Citation Formats

Caro, Magdalena, Béland, Laurent K., Samolyuk, German D., Stoller, Roger E., and Caro, Alfredo. Lattice thermal conductivity of multi-component alloys. United States: N. p., 2015. Web. doi:10.1016/j.jallcom.2015.06.035.
Caro, Magdalena, Béland, Laurent K., Samolyuk, German D., Stoller, Roger E., & Caro, Alfredo. Lattice thermal conductivity of multi-component alloys. United States. doi:10.1016/j.jallcom.2015.06.035.
Caro, Magdalena, Béland, Laurent K., Samolyuk, German D., Stoller, Roger E., and Caro, Alfredo. Fri . "Lattice thermal conductivity of multi-component alloys". United States. doi:10.1016/j.jallcom.2015.06.035. https://www.osti.gov/servlets/purl/1265568.
@article{osti_1265568,
title = {Lattice thermal conductivity of multi-component alloys},
author = {Caro, Magdalena and Béland, Laurent K. and Samolyuk, German D. and Stoller, Roger E. and Caro, Alfredo},
abstractNote = {High entropy alloys (HEA) have unique properties including the potential to be radiation tolerant. These materials with extreme disorder could resist damage because disorder, stabilized by entropy, is the equilibrium thermodynamic state. Disorder also reduces electron and phonon conductivity keeping the damage energy longer at the deposition locations, eventually favoring defect recombination. In the short time-scales related to thermal spikes induced by collision cascades, phonons become the relevant energy carrier. In this paper, we perform a systematic study of phonon thermal conductivity in multiple component solid solutions represented by Lennard-Jones (LJ) potentials. We explore the conditions that minimize phonon mean free path via extreme alloy complexity, by varying the composition and the elements (differing in mass, atomic radii, and cohesive energy). We show that alloy complexity can be tailored to modify the scattering mechanisms that control energy transport in the phonon subsystem. Finally, our analysis provides a qualitative guidance for the selection criteria used in the design of HEA alloys with low phonon thermal conductivity.},
doi = {10.1016/j.jallcom.2015.06.035},
journal = {Journal of Alloys and Compounds},
number = ,
volume = 648,
place = {United States},
year = {2015},
month = {6}
}

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