Modeling particulates with long-range interactions

Many practical problems require understanding mechanical systems where discrete parts interact via long-range interactions - the examples include electrostatic interactions and dielectric polarization in powders, van der Waals interactions between nanoparticles, gravitational interactions in asteroid belts etc. On the other hand, classical problems of the analysis of mechanical behavior of continuum can be efficiently re-formulated in terms of long-range interactions between the continuum boundaries. This outlines the wide class of problems that require specific modeling toolkit, developed is a context of several applications.

Theme 1. Modeling thin CNT films for the needs of electronic industry (TKI-HTSM MINT).

We use a generalized discrete element method approach to model thin films, consisting from nanotubes - elastic fibers, that form complex nanoscale networks of intertwined bundles held together by the long-range van der Waals adhesion forces. Such films are of great promise for multiple applications in optics and electronic industry. We develop a framework for predictive modeling of such system, as well as the data-driven techniques used for digital twinning of real nanotube films used in particular industrial applications.

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Theme 2. Extension of Discrete Element Method with the Kernel Independent Fast Multipole Method.

This effort is aimed at enriching a general DEM framework with capability to capture long-range interactions of arbitrary nature. It involves both the direct methods of fast summation, useful for the problems involving the interaction of multiple interacting masses/charges, and self-consistent formulations, necessary for modeling implicit Stokesian fluid between particles, or dielectric polarization of particle materials.