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Phonon Lifetimes and Thermal Conductivity of the Molecular Crystal α-RDX

Published online by Cambridge University Press:  19 June 2019

Gaurav Kumar ,
Francis G. VanGessel ,
Daniel C. Elton Open the ORCID record for Daniel C. Elton [Opens in a new window]  and
Peter W. Chung
Gaurav Kumar
Affiliation:
Department of Mechanical Engineering, University of Maryland, College Park, Maryland USA
Francis G. VanGessel
Affiliation:
Department of Mechanical Engineering, University of Maryland, College Park, Maryland USA
Daniel C. Elton
Affiliation:
Department of Mechanical Engineering, University of Maryland, College Park, Maryland USA
Peter W. Chung*
Affiliation:
Department of Mechanical Engineering, University of Maryland, College Park, Maryland USA
*
*(Email: pchung15@umd.edu)
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Abstract

The heat transfer properties of the organic molecular crystal α-RDX were studied using three phonon scattering based thermal conductivity models. It was found that the widely used Peierls-Boltzmann model for thermal transport in crystalline materials breaks down for α-RDX. We show this breakdown is due to a large degree of anharmonicity that leads to a dominance of diffusive-like carriers. Despite being developed for disordered systems, the Allen-Feldman theory for thermal conductivity actually gives the best description of thermal transport. This is likely because diffusive carriers contribute to over 95% of the thermal conductivity in α-RDX. The dominance of diffusive carriers is larger than previously observed in other fully ordered crystalline systems. These results indicate that van der Waals bonded organic crystalline solids conduct heat in a manner more akin to amorphous materials than simple atomic crystals.

Keywords

thermal conductivityenergetic materialmolecularcrystalline
Type
Articles
Information
MRS Advances , Volume 4 , Issue 40: Quantum and Nanomaterials , 2019 , pp. 2191 - 2199
Copyright
Copyright © Materials Research Society 2019 

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