Formulation of Temperature-Dependent Thermal Conductivity of NaF, β-Na3AlF6, Na5Al3F14, and Molten Na3AlF6 Supported by Equilibrium Molecular Dynamics and Density Functional Theory-Reference-Cited by-同舟云学术

Formulation of Temperature-Dependent Thermal Conductivity of NaF, β-Na3AlF6, Na5Al3F14, and Molten Na3AlF6 Supported by Equilibrium Molecular Dynamics and Density Functional Theory

Published:2016-09-29 Issue:40 Volume:120 Page:22873-22886
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Gheribi Aïmen E.¹,Salanne Mathieu²,Chartrand Patrice¹

Affiliation:

1. CRCT - Center for Research in Computational Thermochemistry, Department of Chemical Engineering, Polytechnique Montreal, Box 6079, Station Downtown, Montréal, Québec H3C 3A7, Canada

2. Sorbonne Universités, UPMC Université Paris 06, CNRS, Laboratoire PHENIX, F-75005 Paris, France

Funder

Natural Sciences and Engineering Research Council of Canada

Rio Tinto Alcan

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b07959

Reference79 articles.

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2. Morelli, D. T.; Slack, G. A.InHigh Thermal Conductivity Materials;Shindé, S. L.; Goela, J. S., Eds.Springer New York:New York, NY, 2006; Chapter High Lattice Thermal Conductivity Solids, pp37–68.

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