Non-equilibrium molecular dynamics simulation study of heat transport in hexahydro-1,3,5-trinitro-s-triazine (RDX)

DOI10.1016/J.IJHEATMASSTRANSFER.2011.06.040MaRDI QIDQ656770zbMATH OpenOpenAlexFDO

Authors Sergei Izvekov, P. W. Chung, Betsy M. Rice

Publication date 13 January 2012

Published in International Journal of Heat and Mass Transfer (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.ijheatmasstransfer.2011.06.040

zbMATH Keywords

thermal conductivitymolecular dynamics simulationexplosiveatomic force field

Mathematics Subject Classification ID

Statistical mechanics of solids (82D20) Irreversible thermodynamics, including Onsager-Machlup theory (82C35)

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Cites work

• scientific article; zbMATH DE number 46777 (Why is no real title available?)
• scientific article; zbMATH DE number 1082719 (Why is no real title available?)
• scientific article; zbMATH DE number 3254566 (Why is no real title available?)
• DL_POLY: Application to molecular simulation
• Model for Lattice Thermal Conductivity at Low Temperatures
• Thermal conductivity decomposition and analysis using molecular dynamics simulations. I: Lennard-Jones argon
• Thermal conductivity decomposition and analysis using molecular dynamics simulations. II: Complex silica structures
• Thermal conductivity of metal-organic framework 5 (MOF-5). I: Molecular dynamics simulations

Cited in

(5)

• Thermal conductivity decomposition and analysis using molecular dynamics simulations. I: Lennard-Jones argon
• Thermal conductivity decomposition and analysis using molecular dynamics simulations. II: Complex silica structures
• Isobaric thermal conductivity in orientationally disordered phases of simple molecular crystals
• Perturbed Molecular Dynamics for Calculating Thermal Conductivity of Zirconia
• Molecular dynamics study of the thermal conductivity of amorphous nanoporous silica

Describes a project that uses

Uses Software

• DL_POLY

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