Thermal Conductivity and Thermal Diffusivity of Molten Salts: Insights from Molecular Dynamics Simulations and Fundamental Bounds

C. Cockrell; M. Withington; H. L. Devereux; A. M. Elena; I. T. Todorov; Z. K. Liu; S. L. Shang; J. S. McCloy; P. A. Bingham; K. Trachenko

doi:10.1021/acs.jpcb.4c07565

Thermal Conductivity and Thermal Diffusivity of Molten Salts: Insights from Molecular Dynamics Simulations and Fundamental Bounds

C. Cockrell
, M. Withington
, H. L. Devereux
, A. M. Elena
, I. T. Todorov
, Z. K. Liu
, S. L. Shang
, J. S. McCloy
, P. A. Bingham
, K. Trachenko

School of Computer Science & Engineering

Queen Mary University of London
Daresbury Laboratory
The Pennsylvania State University
Washington State University
Sheffield Hallam University

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	2271-2279
Number of pages	9
Journal	Journal of Physical Chemistry B
Volume	129
Issue number	8
Early online date	19 Feb 2025
DOIs	https://doi.org/10.1021/acs.jpcb.4c07565
Publication status	Published - 27 Feb 2025

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10.1021/acs.jpcb.4c07565

Cite this

Cockrell, C., Withington, M., Devereux, H. L., Elena, A. M., Todorov, I. T., Liu, Z. K., Shang, S. L., McCloy, J. S., Bingham, P. A., & Trachenko, K. (2025). Thermal Conductivity and Thermal Diffusivity of Molten Salts: Insights from Molecular Dynamics Simulations and Fundamental Bounds. Journal of Physical Chemistry B, 129(8), 2271-2279. https://doi.org/10.1021/acs.jpcb.4c07565

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AU - Elena, A. M.

AU - Todorov, I. T.

AU - Liu, Z. K.

AU - Shang, S. L.

AU - McCloy, J. S.

AU - Bingham, P. A.

AU - Trachenko, K.

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JO - Journal of Physical Chemistry B

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