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Computational Mesoscale Framework for Biological Clustering and Fractal Aggregation
Zohravi, E.
; Moreno, N.; Ellero, M. (2023-09-11)
Hierarchical clustering due to diffusion and reaction is a widespread occurrence in natural phenomena, displaying fractal behavior with non-integer size scaling. The study of this phenomenon has garnered interest in both ...
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Computational modeling of passive transport of functionalized nanoparticles
Moreno-Chaparro, D.; Moreno, N.; Balboa, F.; Ellero, M. (2023-03-14)
Functionalized nanoparticles (NPs) are complex objects present in a variety of systems ranging from synthetic grafted nanoparticles to viruses. The morphology and number of the decorating groups can vary widely between ...
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Hydrodynamics of spike proteins dictate a transport-affinity competition for SARS-CoV-2 and other enveloped viruses
Moreno, N.; Moreno-Chaparro, D.; Balboa, F.; Ellero, M. (2022-12-01)
Many viruses, such as SARS-CoV-2 or Influenza, possess envelopes decorated with surface proteins (a.k.a. spikes). Depending on the virus type, a large variability is present in the surface-proteins number, morphology and ...
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Arbitrary flow boundary conditions in smoothed dissipative particle dynamics: A generalized virtual rheometer
Moreno, N.; Ellero, M. (2021-01-01)
In this work, a methodology to perform rheological studies on smoothed dissipative particle dynamics under arbitrary flow configurations is introduced. To evaluate the accuracy and flexibility of the proposed methodology, ...
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The complex viscosity of Möbius macromolecules
Piette, J. H.; Moreno, N.; Fried, E.; Giacomin, A. J. (2020-09-01)
Using general rigid bead-rod theory, we explore the effect of twisting a macromolecule on its rheological properties in suspensions. We thus focus on macromolecules having the form of Möbius bands so that the number of ...