Prediction of Thermal Conductivities of Rubbers by MD Simulations—New Insights

In this article, two main approaches to the prediction of thermal conductivities by molecular dynamics (MD) simulations are discussed, namely non-equilibrium molecular dynamics simulations (NEMD) and the application of the Green–Kubo formula, i.e., EMD. NEMD methods are more affected by size effects...

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Detalles Bibliográficos
Autores principales: Vasilev, Aleksandr, Lorenz, Tommy, Breitkopf, Cornelia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9146200/
https://www.ncbi.nlm.nih.gov/pubmed/35631927
http://dx.doi.org/10.3390/polym14102046

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9146200/
https://www.ncbi.nlm.nih.gov/pubmed/35631927
http://dx.doi.org/10.3390/polym14102046

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