This paper presents an overview of mathematical models for a better understanding of mechanical processes, as well as dynamics, at the nanoscale. After a short introduction related to semi-empirical and ab initio formulations, molecular dynamics simulations, atomic-scale finite element method, multiscale computational methods, the paper focuses on the Drude-Lorentz type models for the study of dynamics, considering the results of a recently appeared generalization of them for the nanoscale domain. The theoretical framework is illustrated and some examples are considered.
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This editorial provides an overview of both fundamental and applied research areas covered by the journal of Nanoscale Systems: Mathematical Modeling, Theory and Applications (NanoMMTA), as well as of articles published in the journal inaugural volume. The unique feature of NanoMMTA is its focus on the interface between the study, development, and application of systems at the nanoscale with theoretical methods and experimental techniques on the one hand and mathematical, statistical, and computational tools on the other. NanoMMTA is the first international, interdisciplinary, peer-reviewed journal focusing specifically on this interface. This emerging multidisciplinary field at the interface of mathematical modeling, nanoscience and nanotechnology includes applications and advancements of these tools in all of the disciplines facing the challenges associated with the nanoscale systems.
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