Molecular Dynamics in Materials Science, Heat Conduction and Nanofluids

Dear Colleagues,

This Special Issue is devoted to the application of the molecular dynamics (MD) method in materials science, heat conduction, and nanofluids. Molecular dynamics offers a modern and powerful computational method applied to the product design of optimized materials, heat conduction, and flow characteristic of nanofluids.  Material systems of industrial interest are highly heterogeneous and are characterized by a variety of defects, interfaces, and other microstructural features (due to the complexity of structural hierarchies on different scales), controlled by phenomena at the nanoscale that can be elucidated by molecular dynamics simulations. Additionally, MD simulations can be applied to explain the nature, heat conduction, mechanism, surface interaction phenomena, and characteristics of nanoparticle motions in lubrication and friction processes. MD can be developed or combined with various simulations (such as direct simulation Monte Carlo, kinetic Monte Carlo, meshless methods, etc.) for a range of applications.

In this Special Issue, we invite submissions exploring cutting-edge research and recent advances in the fields of materials science, heat conduction, and nanofluids. Both theoretical and experimental studies are welcome, as well as comprehensive reviews and survey papers.

Dr. Ştefan Ţǎlu
Dr. Mihai Ţălu
Guest Editors

Manuscript Submission Information

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Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.